data_17066
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
SOLUTION NMR STRUCTURE OF THE N-TERMINAL PAS DOMAIN OF HERG POTASSIUM CHANNEL
;
_BMRB_accession_number 17066
_BMRB_flat_file_name bmr17066.str
_Entry_type original
_Submission_date 2010-07-19
_Accession_date 2010-07-19
_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 Vandenberg Jamie I. .
2 Ng Chai A. .
3 Hunter Mark . .
4 Mobli Mehdi . .
5 King Glenn F. .
6 Kuchel Philip W. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 733
"13C chemical shifts" 531
"15N chemical shifts" 146
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-05-23 original author .
stop_
_Original_release_date 2011-05-23
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'The N-terminal tail of hERG contains an amphipathic -helix that regulates channel deactivation.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 21249148
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Ng 'Chai Ann' . .
2 Hunter Mark J. .
3 Perry Matthew D. .
4 Mobli Mehdi . .
5 Ke Ying . .
6 Kuchel Philip W. .
7 King Glenn F. .
8 Stock Daniela . .
9 Vandenberg Jamie I. .
stop_
_Journal_abbreviation 'PLoS ONE'
_Journal_name_full 'PloS one'
_Journal_volume 6
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year 2011
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'N-Terminal PAS Domain of HERG K Channel'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
H_member_2 $H_member_2
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_H_member_2
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Potassium_voltage-gated_channel_subfamily_H_member_2
_Molecular_mass 45860.719
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 136
_Mol_residue_sequence
;
SMPVRRGHVAPQNTFLDTII
RKFEGQSRKFIIANARVENC
AVIYCNDGFCELCGYSRAEV
MQRPCTCDFLHGPRTQRRAA
AQIAQALLGAEERKVEIAFY
RKDGSCFLCLVDVVPVKNED
GAVIMFILNFEVVMEK
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 0 SER 2 1 MET 3 2 PRO 4 3 VAL 5 4 ARG
6 5 ARG 7 6 GLY 8 7 HIS 9 8 VAL 10 9 ALA
11 10 PRO 12 11 GLN 13 12 ASN 14 13 THR 15 14 PHE
16 15 LEU 17 16 ASP 18 17 THR 19 18 ILE 20 19 ILE
21 20 ARG 22 21 LYS 23 22 PHE 24 23 GLU 25 24 GLY
26 25 GLN 27 26 SER 28 27 ARG 29 28 LYS 30 29 PHE
31 30 ILE 32 31 ILE 33 32 ALA 34 33 ASN 35 34 ALA
36 35 ARG 37 36 VAL 38 37 GLU 39 38 ASN 40 39 CYS
41 40 ALA 42 41 VAL 43 42 ILE 44 43 TYR 45 44 CYS
46 45 ASN 47 46 ASP 48 47 GLY 49 48 PHE 50 49 CYS
51 50 GLU 52 51 LEU 53 52 CYS 54 53 GLY 55 54 TYR
56 55 SER 57 56 ARG 58 57 ALA 59 58 GLU 60 59 VAL
61 60 MET 62 61 GLN 63 62 ARG 64 63 PRO 65 64 CYS
66 65 THR 67 66 CYS 68 67 ASP 69 68 PHE 70 69 LEU
71 70 HIS 72 71 GLY 73 72 PRO 74 73 ARG 75 74 THR
76 75 GLN 77 76 ARG 78 77 ARG 79 78 ALA 80 79 ALA
81 80 ALA 82 81 GLN 83 82 ILE 84 83 ALA 85 84 GLN
86 85 ALA 87 86 LEU 88 87 LEU 89 88 GLY 90 89 ALA
91 90 GLU 92 91 GLU 93 92 ARG 94 93 LYS 95 94 VAL
96 95 GLU 97 96 ILE 98 97 ALA 99 98 PHE 100 99 TYR
101 100 ARG 102 101 LYS 103 102 ASP 104 103 GLY 105 104 SER
106 105 CYS 107 106 PHE 108 107 LEU 109 108 CYS 110 109 LEU
111 110 VAL 112 111 ASP 113 112 VAL 114 113 VAL 115 114 PRO
116 115 VAL 117 116 LYS 118 117 ASN 119 118 GLU 120 119 ASP
121 120 GLY 122 121 ALA 123 122 VAL 124 123 ILE 125 124 MET
126 125 PHE 127 126 ILE 128 127 LEU 129 128 ASN 130 129 PHE
131 130 GLU 132 131 VAL 133 132 VAL 134 133 MET 135 134 GLU
136 135 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-30
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 16928 hERG_NTD 99.26 136 100.00 100.00 2.01e-93
BMRB 16946 hERG1-135 99.26 150 100.00 100.00 8.83e-94
PDB 1BYW "Structure Of The N-Terminal Domain Of The Human-Erg Potassium Channel" 80.88 110 99.09 99.09 1.05e-71
PDB 2L0W "Solution Nmr Structure Of The N-Terminal Pas Domain Of Herg Potassium Channel" 100.00 138 100.00 100.00 4.00e-94
PDB 2L1M "Solution Structure Of The Eag Domain Of The Herg (Kv11.1) K+ Channel" 99.26 150 100.00 100.00 8.83e-94
PDB 2L4R "Nmr Solution Structure Of The N-Terminal Pas Domain Of Herg" 99.26 135 100.00 100.00 1.53e-93
PDB 4HP9 "Crystal Structure Of The N-terminal Truncated Pas Domain From The Herg Potassium Channel" 93.38 128 99.21 100.00 2.01e-86
PDB 4HQA "Crystal Structure Of Pas Domain From The Human Erg (herg) Potassium Channel" 100.00 137 100.00 100.00 2.98e-94
DBJ BAA37096 "HERG [Homo sapiens]" 99.26 1159 100.00 100.00 3.09e-91
DBJ BAB19682 "HERG-USO [Homo sapiens]" 99.26 888 100.00 100.00 1.62e-92
EMBL CAA09232 "ether-a-go-go-related protein [Homo sapiens]" 80.15 1133 100.00 100.00 5.11e-71
EMBL CAB09536 "r-ERG [Rattus norvegicus]" 99.26 1163 100.00 100.00 3.16e-91
EMBL CAB64868 "potassium channel [Canis lupus familiaris]" 99.26 1158 100.00 100.00 3.08e-91
GB AAA62473 "putative potassium channel subunit [Homo sapiens]" 99.26 1159 100.00 100.00 3.09e-91
GB AAC53418 "ether-a-go-go-related protein isoform Merg1a [Mus musculus]" 99.26 1162 100.00 100.00 3.15e-91
GB AAC53420 "Merg1a [Mus musculus]" 99.26 1162 100.00 100.00 3.15e-91
GB AAC53422 "Merg1a' [Mus musculus]" 55.88 1103 100.00 100.00 1.26e-44
GB AAC99425 "potassium channel protein ERG long isoform [Oryctolagus cuniculus]" 89.71 122 100.00 100.00 1.05e-83
REF NP_000229 "potassium voltage-gated channel subfamily H member 2 isoform a [Homo sapiens]" 99.26 1159 100.00 100.00 3.09e-91
REF NP_001003145 "potassium voltage-gated channel subfamily H member 2 [Canis lupus familiaris]" 99.26 1158 100.00 100.00 3.08e-91
REF NP_001092571 "potassium voltage-gated channel subfamily H member 2 [Bos taurus]" 99.26 849 100.00 100.00 4.31e-92
REF NP_001166444 "potassium voltage-gated channel subfamily H member 2 [Cavia porcellus]" 99.26 1158 100.00 100.00 3.08e-91
REF NP_001180587 "potassium voltage-gated channel subfamily H member 2 [Equus caballus]" 99.26 1158 99.26 100.00 8.17e-91
SP O08962 "RecName: Full=Potassium voltage-gated channel subfamily H member 2; AltName: Full=Ether-a-go-go-related gene potassium channel " 99.26 1163 100.00 100.00 3.16e-91
SP O35219 "RecName: Full=Potassium voltage-gated channel subfamily H member 2; AltName: Full=Ether-a-go-go-related gene potassium channel " 99.26 1162 100.00 100.00 3.15e-91
SP Q12809 "RecName: Full=Potassium voltage-gated channel subfamily H member 2; AltName: Full=Eag homolog; AltName: Full=Ether-a-go-go-rela" 99.26 1159 100.00 100.00 3.09e-91
SP Q8WNY2 "RecName: Full=Potassium voltage-gated channel subfamily H member 2; AltName: Full=Ether-a-go-go-related gene potassium channel " 99.26 1161 100.00 100.00 3.13e-91
SP Q9TSZ3 "RecName: Full=Potassium voltage-gated channel subfamily H member 2; AltName: Full=Ether-a-go-go-related gene potassium channel " 99.26 1158 100.00 100.00 3.08e-91
TPG DAA30311 "TPA: voltage-gated potassium channel, subfamily H, member 2 [Bos taurus]" 99.26 783 100.00 100.00 1.58e-92
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
_Details
$H_member_2 Human 9606 Eukaryota Metazoa Homo sapiens 'Potassium voltage-gated channel, subfamily H (eag-related), member 2' 'hERG_N-terminal PAS Domain Human 9606 Eukaryota Metazoa Homo sapiens'
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
_Details
$H_member_2 'recombinant technology' . Escherichia coli BL21 DE3 PGEXT2T 'TEV cleavage site'
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample
_Saveframe_category sample
_Sample_type solution
_Details 'N15 labeled protein, 10mM HEPES, 3mM TCEP, 5mM OCTYL GLUCOSIDE'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
'sodium chloride' 150 mM 'natural abundance'
HEPES 10 mM 'natural abundance'
TCEP 3 mM 'natural abundance'
D2O 7 % '[U-100% 2H]'
'Octyl Glucoside' 5 mM 'natural abundance'
H2O 93 % 'natural abundance'
$H_member_2 99 % '[U-99% 15N]'
stop_
save_
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details 'N15 and C13 labeled protein, 10mM HEPES, 3mM TCEP, 5mM OCTYL GLUCOSIDE'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
'sodium chloride' 150 mM 'natural abundance'
HEPES 10 mM 'natural abundance'
TCEP 3 mM 'natural abundance'
D2O 100 % '[U-100% 2H]'
'Octyl Glucoside' 5 mM 'natural abundance'
$H_member_2 99 % '[U-99% 13C; U-99% 15N]'
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'geometry optimization'
refinement
stop_
_Details .
save_
save_AMBER
_Saveframe_category software
_Name AMBER
_Version 10
loop_
_Vendor
_Address
_Electronic_address
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_XEASY
_Saveframe_category software
_Name XEASY
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bartels et al.' . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
'peak picking'
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'Dihedral angles calculation'
stop_
_Details .
save_
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 2
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
processing
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer BRUKER
_Model 'Avance II'
_Field_strength 900
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_1H-13C_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample
save_
save_2D_1H-15N_HSQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample
save_
save_3D_CBCA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample
save_
save_3D_C(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample
save_
save_3D_H(CCO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample
save_
save_3D_HNCO_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample
save_
save_3D_HNCA_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample
save_
save_3D_HN(CO)CA_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample
save_
save_3D_HNCA_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample
save_
save_3D_HCCH-TOCSY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
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' 150 . mM
pH 6.9 . pH
pressure 1 . atm
temperature 298 . 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
water C 13 protons ppm . internal indirect . . . 0.251449530
water H 1 protons ppm 4.6 na direct . . . 1.0
water N 13 protons ppm . internal 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
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$XEASY
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D CBCA(CO)NH'
'3D HNCACB'
'3D C(CO)NH'
'3D H(CCO)NH'
'3D HNCO'
'3D HN(CO)CA'
'3D HCCH-TOCSY'
stop_
loop_
_Sample_label
$sample
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name H_member_2
_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 2 3 PRO HA H 4.401 0.020 1
2 2 3 PRO HB2 H 1.801 0.020 2
3 2 3 PRO HB3 H 1.801 0.020 2
4 2 3 PRO HG2 H 1.971 0.020 2
5 2 3 PRO HG3 H 1.971 0.020 2
6 2 3 PRO C C 175.980 0.400 1
7 2 3 PRO CA C 62.919 0.400 1
8 2 3 PRO CB C 32.039 0.400 1
9 2 3 PRO CG C 27.390 0.400 1
10 3 4 VAL H H 8.408 0.020 1
11 3 4 VAL HA H 3.983 0.020 1
12 3 4 VAL HB H 1.965 0.020 1
13 3 4 VAL HG1 H 0.910 0.020 2
14 3 4 VAL HG2 H 0.910 0.020 2
15 3 4 VAL C C 176.257 0.400 1
16 3 4 VAL CA C 62.362 0.400 1
17 3 4 VAL CB C 32.703 0.400 1
18 3 4 VAL CG1 C 21.082 0.400 1
19 3 4 VAL N N 120.554 0.400 1
20 4 5 ARG H H 8.401 0.020 1
21 4 5 ARG HA H 4.310 0.020 1
22 4 5 ARG C C 175.881 0.400 1
23 4 5 ARG CA C 55.691 0.400 1
24 4 5 ARG N N 125.551 0.400 1
25 5 6 ARG H H 8.421 0.020 1
26 5 6 ARG HA H 4.302 0.020 1
27 5 6 ARG C C 176.612 0.400 1
28 5 6 ARG CA C 55.946 0.400 1
29 5 6 ARG N N 123.281 0.400 1
30 6 7 GLY H H 8.435 0.020 1
31 6 7 GLY HA2 H 3.867 0.020 2
32 6 7 GLY HA3 H 3.867 0.020 2
33 6 7 GLY C C 179.931 0.400 1
34 6 7 GLY CA C 44.988 0.400 1
35 6 7 GLY N N 110.049 0.400 1
36 7 8 HIS H H 8.317 0.020 1
37 7 8 HIS HA H 4.650 0.020 1
38 7 8 HIS HB2 H 3.002 0.020 2
39 7 8 HIS HB3 H 3.036 0.020 2
40 7 8 HIS C C 175.051 0.400 1
41 7 8 HIS CA C 56.278 0.400 1
42 7 8 HIS CB C 31.043 0.400 1
43 7 8 HIS N N 119.124 0.400 1
44 8 9 VAL H H 8.144 0.020 1
45 8 9 VAL HA H 4.041 0.020 1
46 8 9 VAL HB H 1.944 0.020 1
47 8 9 VAL HG1 H 0.840 0.020 2
48 8 9 VAL C C 174.538 0.400 1
49 8 9 VAL CA C 61.965 0.400 1
50 8 9 VAL CB C 33.035 0.400 1
51 8 9 VAL CG1 C 20.750 0.400 1
52 8 9 VAL N N 121.093 0.400 1
53 9 10 ALA H H 8.188 0.020 1
54 9 10 ALA HA H 4.526 0.020 1
55 9 10 ALA HB H 1.321 0.020 1
56 9 10 ALA C C 175.500 0.400 1
57 9 10 ALA CA C 50.301 0.400 1
58 9 10 ALA CB C 18.093 0.400 1
59 9 10 ALA N N 126.984 0.400 1
60 10 11 PRO HA H 4.367 0.020 1
61 10 11 PRO HB2 H 1.873 0.020 2
62 10 11 PRO HB3 H 2.255 0.020 2
63 10 11 PRO HD2 H 3.636 0.020 2
64 10 11 PRO HD3 H 3.790 0.020 2
65 10 11 PRO HG2 H 1.971 0.020 2
66 10 11 PRO HG3 H 2.005 0.020 2
67 10 11 PRO C C 176.928 0.400 1
68 10 11 PRO CA C 62.919 0.400 1
69 10 11 PRO CB C 32.039 0.400 1
70 10 11 PRO CD C 50.301 0.400 1
71 10 11 PRO CG C 27.390 0.400 1
72 11 12 GLN H H 8.536 0.020 1
73 11 12 GLN HA H 4.230 0.020 1
74 11 12 GLN HB2 H 1.948 0.020 2
75 11 12 GLN HB3 H 2.050 0.020 2
76 11 12 GLN HE21 H 6.819 0.020 2
77 11 12 GLN HE22 H 7.567 0.020 2
78 11 12 GLN HG2 H 2.337 0.020 2
79 11 12 GLN HG3 H 2.337 0.020 2
80 11 12 GLN C C 176.000 0.400 1
81 11 12 GLN CA C 56.293 0.400 1
82 11 12 GLN CB C 29.367 0.400 1
83 11 12 GLN CG C 33.778 0.400 1
84 11 12 GLN N N 120.332 0.400 1
85 11 12 GLN NE2 N 112.560 0.400 1
86 12 13 ASN H H 8.547 0.020 1
87 12 13 ASN HA H 4.708 0.020 1
88 12 13 ASN HB2 H 2.735 0.020 2
89 12 13 ASN HB3 H 2.854 0.020 2
90 12 13 ASN HD21 H 6.850 0.020 2
91 12 13 ASN HD22 H 7.690 0.020 2
92 12 13 ASN C C 175.565 0.400 1
93 12 13 ASN CA C 53.622 0.400 1
94 12 13 ASN CB C 38.670 0.400 1
95 12 13 ASN N N 120.163 0.400 1
96 12 13 ASN ND2 N 112.779 0.400 1
97 13 14 THR H H 8.289 0.020 1
98 13 14 THR HA H 4.192 0.020 1
99 13 14 THR HB H 4.274 0.020 1
100 13 14 THR HG2 H 1.186 0.020 1
101 13 14 THR C C 175.842 0.400 1
102 13 14 THR CA C 63.734 0.400 1
103 13 14 THR CB C 69.559 0.400 1
104 13 14 THR CG2 C 21.746 0.400 1
105 13 14 THR N N 114.748 0.400 1
106 14 15 PHE H H 8.355 0.020 1
107 14 15 PHE HA H 4.300 0.020 1
108 14 15 PHE HB2 H 3.181 0.020 2
109 14 15 PHE HB3 H 2.983 0.020 2
110 14 15 PHE HD2 H 7.153 0.020 1
111 14 15 PHE C C 177.560 0.400 1
112 14 15 PHE CA C 60.594 0.400 1
113 14 15 PHE CB C 38.941 0.400 1
114 14 15 PHE N N 123.175 0.400 1
115 15 16 LEU H H 8.095 0.020 1
116 15 16 LEU HA H 3.742 0.020 1
117 15 16 LEU HB2 H 1.410 0.020 2
118 15 16 LEU HB3 H 1.701 0.020 2
119 15 16 LEU HD1 H 0.836 0.020 2
120 15 16 LEU HD2 H 0.806 0.020 2
121 15 16 LEU HG H 1.473 0.020 1
122 15 16 LEU C C 177.501 0.400 1
123 15 16 LEU CA C 58.009 0.400 1
124 15 16 LEU CB C 41.567 0.400 1
125 15 16 LEU CD1 C 25.730 0.400 1
126 15 16 LEU CD2 C 24.070 0.400 1
127 15 16 LEU CG C 26.726 0.400 1
128 15 16 LEU N N 119.894 0.400 1
129 16 17 ASP H H 7.849 0.020 1
130 16 17 ASP HA H 4.165 0.020 1
131 16 17 ASP HB2 H 2.532 0.020 2
132 16 17 ASP HB3 H 2.675 0.020 2
133 16 17 ASP C C 178.370 0.400 1
134 16 17 ASP CA C 57.886 0.400 1
135 16 17 ASP CB C 40.929 0.400 1
136 16 17 ASP N N 116.831 0.400 1
137 17 18 THR H H 7.750 0.020 1
138 17 18 THR HA H 3.766 0.020 1
139 17 18 THR HB H 4.180 0.020 1
140 17 18 THR HG2 H 1.134 0.020 1
141 17 18 THR C C 176.158 0.400 1
142 17 18 THR CA C 66.135 0.400 1
143 17 18 THR CB C 68.563 0.400 1
144 17 18 THR CG2 C 21.599 0.400 1
145 17 18 THR N N 113.987 0.400 1
146 18 19 ILE H H 7.482 0.020 1
147 18 19 ILE HA H 3.578 0.020 1
148 18 19 ILE HB H 1.845 0.020 1
149 18 19 ILE HD1 H 0.549 0.020 1
150 18 19 ILE HG12 H 0.987 0.020 2
151 18 19 ILE HG13 H 1.207 0.020 2
152 18 19 ILE HG2 H 0.693 0.020 1
153 18 19 ILE C C 177.481 0.400 1
154 18 19 ILE CA C 63.632 0.400 1
155 18 19 ILE CB C 36.932 0.400 1
156 18 19 ILE CD1 C 11.784 0.400 1
157 18 19 ILE CG1 C 27.722 0.400 1
158 18 19 ILE CG2 C 18.181 0.400 1
159 18 19 ILE N N 122.844 0.400 1
160 19 20 ILE H H 8.199 0.020 1
161 19 20 ILE HA H 3.364 0.020 1
162 19 20 ILE HB H 1.620 0.020 1
163 19 20 ILE HD1 H 0.172 0.020 1
164 19 20 ILE HG12 H 0.074 0.020 2
165 19 20 ILE HG13 H 1.365 0.020 2
166 19 20 ILE HG2 H 0.765 0.020 1
167 19 20 ILE C C 178.062 0.400 1
168 19 20 ILE CA C 66.575 0.400 1
169 19 20 ILE CB C 38.352 0.400 1
170 19 20 ILE CD1 C 14.109 0.400 1
171 19 20 ILE CG1 C 30.379 0.400 1
172 19 20 ILE CG2 C 17.761 0.400 1
173 19 20 ILE N N 120.134 0.400 1
174 20 21 ARG H H 7.769 0.020 1
175 20 21 ARG HA H 3.979 0.020 1
176 20 21 ARG HB2 H 1.794 0.020 2
177 20 21 ARG HB3 H 1.794 0.020 2
178 20 21 ARG HD2 H 3.100 0.020 2
179 20 21 ARG HD3 H 3.158 0.020 2
180 20 21 ARG HG2 H 1.618 0.020 2
181 20 21 ARG HG3 H 1.735 0.020 2
182 20 21 ARG C C 179.022 0.400 1
183 20 21 ARG CA C 59.045 0.400 1
184 20 21 ARG CB C 30.121 0.400 1
185 20 21 ARG CD C 43.328 0.400 1
186 20 21 ARG CG C 27.722 0.400 1
187 20 21 ARG N N 115.869 0.400 1
188 20 21 ARG NE N 113.217 0.400 1
189 21 22 LYS H H 7.601 0.020 1
190 21 22 LYS HA H 3.910 0.020 1
191 21 22 LYS HB2 H 1.650 0.020 2
192 21 22 LYS HB3 H 1.716 0.020 2
193 21 22 LYS HD2 H 1.386 0.020 2
194 21 22 LYS HD3 H 1.439 0.020 2
195 21 22 LYS HE2 H 2.686 0.020 2
196 21 22 LYS HE3 H 2.686 0.020 2
197 21 22 LYS HG2 H 0.837 0.020 2
198 21 22 LYS HG3 H 1.206 0.020 2
199 21 22 LYS C C 177.936 0.400 1
200 21 22 LYS CA C 58.643 0.400 1
201 21 22 LYS CB C 32.384 0.400 1
202 21 22 LYS CD C 29.051 0.400 1
203 21 22 LYS CE C 41.668 0.400 1
204 21 22 LYS CG C 24.661 0.400 1
205 21 22 LYS N N 118.580 0.400 1
206 22 23 PHE H H 7.703 0.020 1
207 22 23 PHE HA H 4.096 0.020 1
208 22 23 PHE HB2 H 2.165 0.020 2
209 22 23 PHE HB3 H 2.165 0.020 2
210 22 23 PHE HD2 H 6.787 0.020 1
211 22 23 PHE C C 176.750 0.400 1
212 22 23 PHE CA C 59.598 0.400 1
213 22 23 PHE CB C 38.836 0.400 1
214 22 23 PHE N N 116.849 0.400 1
215 23 24 GLU H H 8.253 0.020 1
216 23 24 GLU HA H 4.542 0.020 1
217 23 24 GLU HB2 H 2.150 0.020 2
218 23 24 GLU HB3 H 2.289 0.020 2
219 23 24 GLU HG2 H 2.423 0.020 2
220 23 24 GLU HG3 H 2.595 0.020 2
221 23 24 GLU C C 178.370 0.400 1
222 23 24 GLU CA C 58.270 0.400 1
223 23 24 GLU CB C 30.047 0.400 1
224 23 24 GLU CG C 36.023 0.400 1
225 23 24 GLU N N 120.875 0.400 1
226 24 25 GLY H H 8.429 0.020 1
227 24 25 GLY HA2 H 4.119 0.020 2
228 24 25 GLY HA3 H 3.976 0.020 2
229 24 25 GLY C C 174.439 0.400 1
230 24 25 GLY CA C 45.609 0.400 1
231 24 25 GLY N N 109.497 0.400 1
232 25 26 GLN H H 7.988 0.020 1
233 25 26 GLN HA H 4.337 0.020 1
234 25 26 GLN HB2 H 1.912 0.020 2
235 25 26 GLN HB3 H 2.251 0.020 2
236 25 26 GLN HE21 H 6.708 0.020 2
237 25 26 GLN HE22 H 7.341 0.020 2
238 25 26 GLN HG2 H 2.306 0.020 2
239 25 26 GLN HG3 H 2.349 0.020 2
240 25 26 GLN C C 175.782 0.400 1
241 25 26 GLN CA C 56.256 0.400 1
242 25 26 GLN CB C 29.156 0.400 1
243 25 26 GLN CG C 33.803 0.400 1
244 25 26 GLN N N 118.030 0.400 1
245 25 26 GLN NE2 N 111.466 0.400 1
246 26 27 SER H H 8.662 0.020 1
247 26 27 SER HA H 4.369 0.020 1
248 26 27 SER HB2 H 4.022 0.020 2
249 26 27 SER HB3 H 4.062 0.020 2
250 26 27 SER C C 174.557 0.400 1
251 26 27 SER CA C 58.602 0.400 1
252 26 27 SER CB C 61.923 0.400 1
253 26 27 SER N N 113.873 0.400 1
254 27 28 ARG H H 7.891 0.020 1
255 27 28 ARG HA H 4.571 0.020 1
256 27 28 ARG HB2 H 2.024 0.020 2
257 27 28 ARG HB3 H 2.130 0.020 2
258 27 28 ARG HD2 H 2.949 0.020 2
259 27 28 ARG HD3 H 3.018 0.020 2
260 27 28 ARG HG2 H 1.640 0.020 2
261 27 28 ARG HG3 H 1.703 0.020 2
262 27 28 ARG C C 177.106 0.400 1
263 27 28 ARG CA C 55.614 0.400 1
264 27 28 ARG CB C 31.781 0.400 1
265 27 28 ARG CD C 42.664 0.400 1
266 27 28 ARG CG C 27.795 0.400 1
267 27 28 ARG N N 118.797 0.400 1
268 27 28 ARG NE N 112.560 0.400 1
269 28 29 LYS H H 9.440 0.020 1
270 28 29 LYS HA H 5.123 0.020 1
271 28 29 LYS HB2 H 2.761 0.020 2
272 28 29 LYS HB3 H 1.505 0.020 2
273 28 29 LYS HD2 H 1.793 0.020 2
274 28 29 LYS HD3 H 1.885 0.020 2
275 28 29 LYS HE2 H 2.966 0.020 2
276 28 29 LYS HE3 H 3.154 0.020 2
277 28 29 LYS HG2 H 1.311 0.020 2
278 28 29 LYS HG3 H 1.412 0.020 2
279 28 29 LYS C C 173.550 0.400 1
280 28 29 LYS CA C 56.278 0.400 1
281 28 29 LYS CB C 32.703 0.400 1
282 28 29 LYS CD C 30.379 0.400 1
283 28 29 LYS CE C 42.332 0.400 1
284 28 29 LYS CG C 25.398 0.400 1
285 28 29 LYS N N 124.594 0.400 1
286 29 30 PHE H H 8.431 0.020 1
287 29 30 PHE HA H 6.234 0.020 1
288 29 30 PHE HB2 H 3.301 0.020 2
289 29 30 PHE HB3 H 3.022 0.020 2
290 29 30 PHE HD2 H 6.870 0.020 1
291 29 30 PHE C C 171.693 0.400 1
292 29 30 PHE CA C 56.278 0.400 1
293 29 30 PHE CB C 42.664 0.400 1
294 29 30 PHE N N 119.999 0.400 1
295 30 31 ILE H H 8.618 0.020 1
296 30 31 ILE HA H 4.867 0.020 1
297 30 31 ILE HB H 1.863 0.020 1
298 30 31 ILE HD1 H 0.632 0.020 1
299 30 31 ILE HG12 H 1.159 0.020 2
300 30 31 ILE HG13 H 1.225 0.020 2
301 30 31 ILE HG2 H -0.031 0.020 1
302 30 31 ILE C C 174.182 0.400 1
303 30 31 ILE CA C 58.493 0.400 1
304 30 31 ILE CB C 41.336 0.400 1
305 30 31 ILE CD1 C 13.777 0.400 1
306 30 31 ILE CG1 C 26.726 0.400 1
307 30 31 ILE CG2 C 17.097 0.400 1
308 30 31 ILE N N 111.199 0.400 1
309 31 32 ILE H H 8.935 0.020 1
310 31 32 ILE HA H 5.181 0.020 1
311 31 32 ILE HB H 1.678 0.020 1
312 31 32 ILE HD1 H 0.784 0.020 1
313 31 32 ILE HG12 H 1.171 0.020 2
314 31 32 ILE HG13 H 1.838 0.020 2
315 31 32 ILE HG2 H 0.903 0.020 1
316 31 32 ILE C C 174.222 0.400 1
317 31 32 ILE CA C 60.065 0.400 1
318 31 32 ILE CB C 40.340 0.400 1
319 31 32 ILE CD1 C 14.773 0.400 1
320 31 32 ILE CG1 C 27.722 0.400 1
321 31 32 ILE CG2 C 18.319 0.400 1
322 31 32 ILE N N 119.562 0.400 1
323 32 33 ALA H H 9.723 0.020 1
324 32 33 ALA HA H 5.309 0.020 1
325 32 33 ALA HB H 1.310 0.020 1
326 32 33 ALA C C 176.494 0.400 1
327 32 33 ALA CA C 49.693 0.400 1
328 32 33 ALA CB C 25.042 0.400 1
329 32 33 ALA N N 130.417 0.400 1
330 33 34 ASN H H 8.672 0.020 1
331 33 34 ASN HA H 4.698 0.020 1
332 33 34 ASN HB2 H 2.819 0.020 2
333 33 34 ASN HB3 H 3.101 0.020 2
334 33 34 ASN HD21 H 7.238 0.020 2
335 33 34 ASN HD22 H 7.767 0.020 2
336 33 34 ASN C C 173.925 0.400 1
337 33 34 ASN CA C 52.625 0.400 1
338 33 34 ASN CB C 38.680 0.400 1
339 33 34 ASN N N 118.905 0.400 1
340 33 34 ASN ND2 N 112.123 0.400 1
341 34 35 ALA H H 7.631 0.020 1
342 34 35 ALA HA H 4.705 0.020 1
343 34 35 ALA HB H 1.045 0.020 1
344 34 35 ALA C C 177.541 0.400 1
345 34 35 ALA CA C 52.293 0.400 1
346 34 35 ALA CB C 20.418 0.400 1
347 34 35 ALA N N 123.719 0.400 1
348 35 36 ARG H H 8.223 0.020 1
349 35 36 ARG HA H 4.361 0.020 1
350 35 36 ARG HB2 H 1.908 0.020 2
351 35 36 ARG HB3 H 2.083 0.020 2
352 35 36 ARG HD2 H 3.216 0.020 2
353 35 36 ARG HD3 H 3.216 0.020 2
354 35 36 ARG HG2 H 1.655 0.020 2
355 35 36 ARG HG3 H 1.779 0.020 2
356 35 36 ARG C C 176.200 0.400 1
357 35 36 ARG CA C 56.278 0.400 1
358 35 36 ARG CB C 29.715 0.400 1
359 35 36 ARG CD C 43.328 0.400 1
360 35 36 ARG CG C 27.390 0.400 1
361 35 36 ARG N N 116.061 0.400 1
362 35 36 ARG NE N 112.779 0.400 1
363 36 37 VAL H H 7.287 0.020 1
364 36 37 VAL HA H 4.432 0.020 1
365 36 37 VAL HB H 2.182 0.020 1
366 36 37 VAL HG1 H 0.942 0.020 2
367 36 37 VAL HG2 H 0.995 0.020 2
368 36 37 VAL C C 176.810 0.400 1
369 36 37 VAL CA C 60.594 0.400 1
370 36 37 VAL CB C 33.699 0.400 1
371 36 37 VAL CG1 C 21.348 0.400 1
372 36 37 VAL CG2 C 19.753 0.400 1
373 36 37 VAL N N 113.873 0.400 1
374 37 38 GLU H H 8.744 0.020 1
375 37 38 GLU HA H 4.003 0.020 1
376 37 38 GLU HB2 H 1.985 0.020 2
377 37 38 GLU HB3 H 1.985 0.020 2
378 37 38 GLU HG2 H 2.235 0.020 2
379 37 38 GLU HG3 H 2.235 0.020 2
380 37 38 GLU C C 176.494 0.400 1
381 37 38 GLU CA C 58.657 0.400 1
382 37 38 GLU CB C 29.383 0.400 1
383 37 38 GLU CG C 36.023 0.400 1
384 37 38 GLU N N 122.844 0.400 1
385 38 39 ASN H H 8.175 0.020 1
386 38 39 ASN HA H 4.541 0.020 1
387 38 39 ASN HB2 H 2.772 0.020 2
388 38 39 ASN HB3 H 3.006 0.020 2
389 38 39 ASN HD21 H 6.875 0.020 2
390 38 39 ASN HD22 H 7.519 0.020 2
391 38 39 ASN C C 174.439 0.400 1
392 38 39 ASN CA C 52.957 0.400 1
393 38 39 ASN CB C 37.684 0.400 1
394 38 39 ASN N N 114.748 0.400 1
395 38 39 ASN ND2 N 111.029 0.400 1
396 39 40 CYS H H 8.301 0.020 1
397 39 40 CYS HA H 4.549 0.020 1
398 39 40 CYS HB2 H 2.925 0.020 2
399 39 40 CYS HB3 H 3.007 0.020 2
400 39 40 CYS C C 174.384 0.400 1
401 39 40 CYS CA C 59.266 0.400 1
402 39 40 CYS CB C 26.726 0.400 1
403 39 40 CYS N N 117.374 0.400 1
404 40 41 ALA HA H 4.037 0.020 1
405 40 41 ALA HB H 1.158 0.020 1
406 40 41 ALA C C 177.699 0.400 1
407 40 41 ALA CA C 51.961 0.400 1
408 40 41 ALA CB C 20.536 0.400 1
409 41 42 VAL H H 8.613 0.020 1
410 41 42 VAL HA H 3.882 0.020 1
411 41 42 VAL HB H 2.197 0.020 1
412 41 42 VAL HG1 H 0.946 0.020 2
413 41 42 VAL HG2 H 0.856 0.020 2
414 41 42 VAL C C 177.165 0.400 1
415 41 42 VAL CA C 65.097 0.400 1
416 41 42 VAL CB C 32.371 0.400 1
417 41 42 VAL CG1 C 23.074 0.400 1
418 41 42 VAL CG2 C 22.410 0.400 1
419 41 42 VAL N N 119.999 0.400 1
420 42 43 ILE H H 9.226 0.020 1
421 42 43 ILE HA H 4.615 0.020 1
422 42 43 ILE HB H 2.135 0.020 1
423 42 43 ILE HD1 H 0.889 0.020 1
424 42 43 ILE HG12 H 0.940 0.020 2
425 42 43 ILE HG13 H 1.193 0.020 2
426 42 43 ILE HG2 H 1.018 0.020 1
427 42 43 ILE C C 175.328 0.400 1
428 42 43 ILE CA C 61.209 0.400 1
429 42 43 ILE CB C 39.706 0.400 1
430 42 43 ILE CD1 C 14.441 0.400 1
431 42 43 ILE CG1 C 26.394 0.400 1
432 42 43 ILE CG2 C 18.757 0.400 1
433 42 43 ILE N N 121.312 0.400 1
434 43 44 TYR H H 7.806 0.020 1
435 43 44 TYR HA H 4.576 0.020 1
436 43 44 TYR HB2 H 2.356 0.020 2
437 43 44 TYR HB3 H 3.299 0.020 2
438 43 44 TYR HD2 H 6.848 0.020 1
439 43 44 TYR C C 172.740 0.400 1
440 43 44 TYR CA C 59.266 0.400 1
441 43 44 TYR CB C 42.150 0.400 1
442 43 44 TYR N N 121.231 0.400 1
443 44 45 CYS H H 7.825 0.020 1
444 44 45 CYS HA H 4.741 0.020 1
445 44 45 CYS HB2 H 2.450 0.020 2
446 44 45 CYS HB3 H 2.608 0.020 2
447 44 45 CYS C C 171.396 0.400 1
448 44 45 CYS CA C 53.954 0.400 1
449 44 45 CYS CB C 31.707 0.400 1
450 44 45 CYS N N 123.500 0.400 1
451 45 46 ASN H H 7.984 0.020 1
452 45 46 ASN HA H 4.435 0.020 1
453 45 46 ASN HB2 H 1.932 0.020 2
454 45 46 ASN HB3 H 3.582 0.020 2
455 45 46 ASN HD21 H 8.743 0.020 2
456 45 46 ASN HD22 H 7.848 0.020 2
457 45 46 ASN C C 174.064 0.400 1
458 45 46 ASN CA C 50.664 0.400 1
459 45 46 ASN CB C 39.428 0.400 1
460 45 46 ASN N N 122.844 0.400 1
461 45 46 ASN ND2 N 119.124 0.400 1
462 46 47 ASP H H 9.164 0.020 1
463 46 47 ASP HA H 4.238 0.020 1
464 46 47 ASP HB2 H 2.677 0.020 2
465 46 47 ASP HB3 H 2.677 0.020 2
466 46 47 ASP C C 179.200 0.400 1
467 46 47 ASP CA C 57.948 0.400 1
468 46 47 ASP CB C 39.133 0.400 1
469 46 47 ASP N N 121.312 0.400 1
470 47 48 GLY H H 7.975 0.020 1
471 47 48 GLY HA2 H 3.842 0.020 2
472 47 48 GLY HA3 H 4.020 0.020 2
473 47 48 GLY C C 176.158 0.400 1
474 47 48 GLY CA C 47.360 0.400 1
475 47 48 GLY N N 105.319 0.400 1
476 48 49 PHE H H 8.193 0.020 1
477 48 49 PHE HA H 3.841 0.020 1
478 48 49 PHE HB2 H 3.027 0.020 2
479 48 49 PHE HB3 H 3.104 0.020 2
480 48 49 PHE HD2 H 6.542 0.020 1
481 48 49 PHE C C 176.573 0.400 1
482 48 49 PHE CA C 62.945 0.400 1
483 48 49 PHE CB C 39.183 0.400 1
484 48 49 PHE N N 123.938 0.400 1
485 49 50 CYS H H 7.420 0.020 1
486 49 50 CYS HA H 3.930 0.020 1
487 49 50 CYS HB2 H 2.852 0.020 2
488 49 50 CYS HB3 H 3.200 0.020 2
489 49 50 CYS C C 177.363 0.400 1
490 49 50 CYS CA C 63.798 0.400 1
491 49 50 CYS CB C 27.338 0.400 1
492 49 50 CYS N N 119.781 0.400 1
493 50 51 GLU H H 8.277 0.020 1
494 50 51 GLU HA H 3.812 0.020 1
495 50 51 GLU HB2 H 1.927 0.020 2
496 50 51 GLU HB3 H 1.927 0.020 2
497 50 51 GLU HG2 H 2.086 0.020 2
498 50 51 GLU HG3 H 2.227 0.020 2
499 50 51 GLU C C 178.094 0.400 1
500 50 51 GLU CA C 58.270 0.400 1
501 50 51 GLU CB C 29.715 0.400 1
502 50 51 GLU CG C 36.021 0.400 1
503 50 51 GLU N N 119.380 0.400 1
504 51 52 LEU H H 7.564 0.020 1
505 51 52 LEU HA H 3.857 0.020 1
506 51 52 LEU HB2 H 1.343 0.020 2
507 51 52 LEU HB3 H 1.774 0.020 2
508 51 52 LEU HD1 H 0.311 0.020 2
509 51 52 LEU HD2 H 0.603 0.020 2
510 51 52 LEU HG H 0.798 0.020 1
511 51 52 LEU C C 176.098 0.400 1
512 51 52 LEU CA C 57.567 0.400 1
513 51 52 LEU CB C 41.652 0.400 1
514 51 52 LEU CD1 C 23.406 0.400 1
515 51 52 LEU CD2 C 25.730 0.400 1
516 51 52 LEU CG C 26.726 0.400 1
517 51 52 LEU N N 119.999 0.400 1
518 52 53 CYS H H 7.283 0.020 1
519 52 53 CYS HA H 4.539 0.020 1
520 52 53 CYS HB2 H 2.246 0.020 2
521 52 53 CYS HB3 H 3.000 0.020 2
522 52 53 CYS C C 174.123 0.400 1
523 52 53 CYS CA C 57.938 0.400 1
524 52 53 CYS CB C 29.383 0.400 1
525 52 53 CYS N N 106.794 0.400 1
526 53 54 GLY H H 8.002 0.020 1
527 53 54 GLY HA2 H 4.228 0.020 2
528 53 54 GLY HA3 H 3.570 0.020 2
529 53 54 GLY C C 173.194 0.400 1
530 53 54 GLY CA C 45.974 0.400 1
531 53 54 GLY N N 111.029 0.400 1
532 54 55 TYR H H 7.472 0.020 1
533 54 55 TYR HA H 4.315 0.020 1
534 54 55 TYR HB2 H 2.627 0.020 2
535 54 55 TYR HB3 H 2.627 0.020 2
536 54 55 TYR HD2 H 6.863 0.020 1
537 54 55 TYR C C 174.024 0.400 1
538 54 55 TYR CA C 57.606 0.400 1
539 54 55 TYR CB C 39.359 0.400 1
540 54 55 TYR N N 118.957 0.400 1
541 55 56 SER H H 8.772 0.020 1
542 55 56 SER HA H 4.333 0.020 1
543 55 56 SER HB2 H 3.910 0.020 2
544 55 56 SER HB3 H 4.101 0.020 2
545 55 56 SER C C 175.249 0.400 1
546 55 56 SER CA C 57.117 0.400 1
547 55 56 SER CB C 65.627 0.400 1
548 55 56 SER N N 116.280 0.400 1
549 56 57 ARG H H 8.845 0.020 1
550 56 57 ARG HA H 3.610 0.020 1
551 56 57 ARG HB2 H 1.676 0.020 2
552 56 57 ARG HB3 H 1.723 0.020 2
553 56 57 ARG HD2 H 3.121 0.020 2
554 56 57 ARG HD3 H 3.269 0.020 2
555 56 57 ARG HG2 H 1.261 0.020 2
556 56 57 ARG HG3 H 1.446 0.020 2
557 56 57 ARG C C 177.975 0.400 1
558 56 57 ARG CA C 60.594 0.400 1
559 56 57 ARG CB C 29.383 0.400 1
560 56 57 ARG CG C 29.383 0.400 1
561 56 57 ARG N N 122.954 0.400 1
562 56 57 ARG NE N 112.779 0.400 1
563 57 58 ALA H H 8.214 0.020 1
564 57 58 ALA HA H 3.947 0.020 1
565 57 58 ALA HB H 1.304 0.020 1
566 57 58 ALA C C 179.615 0.400 1
567 57 58 ALA CA C 54.561 0.400 1
568 57 58 ALA CB C 18.361 0.400 1
569 57 58 ALA N N 118.249 0.400 1
570 58 59 GLU H H 7.526 0.020 1
571 58 59 GLU HA H 3.949 0.020 1
572 58 59 GLU HB2 H 1.940 0.020 2
573 58 59 GLU HB3 H 2.419 0.020 2
574 58 59 GLU HG2 H 2.145 0.020 2
575 58 59 GLU HG3 H 2.191 0.020 2
576 58 59 GLU C C 175.723 0.400 1
577 58 59 GLU CA C 57.536 0.400 1
578 58 59 GLU CB C 31.043 0.400 1
579 58 59 GLU CG C 37.684 0.400 1
580 58 59 GLU N N 115.518 0.400 1
581 59 60 VAL H H 7.385 0.020 1
582 59 60 VAL HA H 3.304 0.020 1
583 59 60 VAL HB H 1.976 0.020 1
584 59 60 VAL HG1 H 0.836 0.020 2
585 59 60 VAL HG2 H 0.836 0.020 2
586 59 60 VAL C C 175.703 0.400 1
587 59 60 VAL CA C 64.195 0.400 1
588 59 60 VAL CB C 33.699 0.400 1
589 59 60 VAL CG1 C 22.078 0.400 1
590 59 60 VAL N N 118.687 0.400 1
591 60 61 MET H H 7.712 0.020 1
592 60 61 MET HA H 3.810 0.020 1
593 60 61 MET HB2 H 1.938 0.020 2
594 60 61 MET HB3 H 1.867 0.020 2
595 60 61 MET HG2 H 2.493 0.020 2
596 60 61 MET HG3 H 2.619 0.020 2
597 60 61 MET C C 176.889 0.400 1
598 60 61 MET CA C 56.263 0.400 1
599 60 61 MET CB C 31.707 0.400 1
600 60 61 MET CG C 33.367 0.400 1
601 60 61 MET N N 115.340 0.400 1
602 61 62 GLN H H 8.549 0.020 1
603 61 62 GLN HA H 3.813 0.020 1
604 61 62 GLN HB2 H 2.314 0.020 2
605 61 62 GLN HB3 H 2.344 0.020 2
606 61 62 GLN HE21 H 6.736 0.020 2
607 61 62 GLN HE22 H 7.424 0.020 2
608 61 62 GLN HG2 H 2.310 0.020 2
609 61 62 GLN HG3 H 2.320 0.020 2
610 61 62 GLN C C 175.111 0.400 1
611 61 62 GLN CA C 57.606 0.400 1
612 61 62 GLN CB C 27.058 0.400 1
613 61 62 GLN CG C 34.031 0.400 1
614 61 62 GLN N N 112.069 0.400 1
615 61 62 GLN NE2 N 111.466 0.400 1
616 62 63 ARG H H 7.658 0.020 1
617 62 63 ARG HA H 4.557 0.020 1
618 62 63 ARG HB2 H 1.853 0.020 2
619 62 63 ARG HB3 H 1.853 0.020 2
620 62 63 ARG HD2 H 2.765 0.020 2
621 62 63 ARG HD3 H 2.765 0.020 2
622 62 63 ARG HG2 H 1.416 0.020 2
623 62 63 ARG HG3 H 1.416 0.020 2
624 62 63 ARG C C 173.781 0.400 1
625 62 63 ARG CA C 54.286 0.400 1
626 62 63 ARG CB C 29.051 0.400 1
627 62 63 ARG CD C 42.996 0.400 1
628 62 63 ARG CG C 27.722 0.400 1
629 62 63 ARG N N 120.114 0.400 1
630 62 63 ARG NE N 113.436 0.400 1
631 63 64 PRO HA H 4.446 0.020 1
632 63 64 PRO HB2 H 1.936 0.020 2
633 63 64 PRO HB3 H 2.492 0.020 2
634 63 64 PRO HD2 H 3.671 0.020 2
635 63 64 PRO HD3 H 3.855 0.020 2
636 63 64 PRO HG2 H 1.994 0.020 2
637 63 64 PRO HG3 H 2.219 0.020 2
638 63 64 PRO C C 179.892 0.400 1
639 63 64 PRO CA C 63.915 0.400 1
640 63 64 PRO CB C 32.703 0.400 1
641 63 64 PRO CD C 50.301 0.400 1
642 63 64 PRO CG C 28.386 0.400 1
643 64 65 CYS H H 8.321 0.020 1
644 64 65 CYS HA H 4.186 0.020 1
645 64 65 CYS HB2 H 2.713 0.020 2
646 64 65 CYS HB3 H 3.027 0.020 2
647 64 65 CYS C C 172.029 0.400 1
648 64 65 CYS CA C 60.637 0.400 1
649 64 65 CYS CB C 27.991 0.400 1
650 64 65 CYS N N 119.562 0.400 1
651 65 66 THR H H 6.924 0.020 1
652 65 66 THR HA H 3.701 0.020 1
653 65 66 THR HB H 4.315 0.020 1
654 65 66 THR HG2 H 1.093 0.020 1
655 65 66 THR C C 174.755 0.400 1
656 65 66 THR CA C 62.919 0.400 1
657 65 66 THR CB C 67.567 0.400 1
658 65 66 THR CG2 C 23.380 0.400 1
659 65 66 THR N N 107.747 0.400 1
660 66 67 CYS H H 8.193 0.020 1
661 66 67 CYS HA H 3.394 0.020 1
662 66 67 CYS HB2 H 1.588 0.020 2
663 66 67 CYS HB3 H 2.869 0.020 2
664 66 67 CYS C C 174.676 0.400 1
665 66 67 CYS CA C 60.594 0.400 1
666 66 67 CYS CB C 23.856 0.400 1
667 66 67 CYS N N 110.810 0.400 1
668 67 68 ASP H H 8.221 0.020 1
669 67 68 ASP HB2 H 2.217 0.020 2
670 67 68 ASP HB3 H 2.408 0.020 2
671 67 68 ASP C C 177.185 0.400 1
672 67 68 ASP CA C 55.614 0.400 1
673 67 68 ASP CB C 39.344 0.400 1
674 67 68 ASP N N 117.100 0.400 1
675 68 69 PHE H H 6.887 0.020 1
676 68 69 PHE HA H 4.362 0.020 1
677 68 69 PHE HB2 H 2.835 0.020 2
678 68 69 PHE HB3 H 2.951 0.020 2
679 68 69 PHE HD2 H 6.567 0.020 1
680 68 69 PHE C C 175.427 0.400 1
681 68 69 PHE CA C 56.610 0.400 1
682 68 69 PHE CB C 37.055 0.400 1
683 68 69 PHE N N 113.775 0.400 1
684 69 70 LEU H H 7.477 0.020 1
685 69 70 LEU HA H 4.503 0.020 1
686 69 70 LEU HB2 H 1.180 0.020 2
687 69 70 LEU HB3 H 1.180 0.020 2
688 69 70 LEU HD1 H 0.709 0.020 2
689 69 70 LEU HD2 H 0.009 0.020 2
690 69 70 LEU HG H 0.209 0.020 1
691 69 70 LEU C C 176.691 0.400 1
692 69 70 LEU CA C 53.954 0.400 1
693 69 70 LEU CB C 40.949 0.400 1
694 69 70 LEU CD1 C 24.070 0.400 1
695 69 70 LEU CD2 C 24.402 0.400 1
696 69 70 LEU CG C 25.398 0.400 1
697 69 70 LEU N N 119.124 0.400 1
698 70 71 HIS H H 7.592 0.020 1
699 70 71 HIS HA H 5.226 0.020 1
700 70 71 HIS HB2 H 3.115 0.020 2
701 70 71 HIS HB3 H 3.348 0.020 2
702 70 71 HIS C C 176.296 0.400 1
703 70 71 HIS CA C 55.282 0.400 1
704 70 71 HIS CB C 32.371 0.400 1
705 70 71 HIS N N 117.704 0.400 1
706 71 72 GLY H H 8.814 0.020 1
707 71 72 GLY HA2 H 3.985 0.020 2
708 71 72 GLY HA3 H 2.562 0.020 2
709 71 72 GLY C C 173.003 0.400 1
710 71 72 GLY CA C 45.321 0.400 1
711 71 72 GLY N N 110.372 0.400 1
712 72 73 PRO HA H 4.159 0.020 1
713 72 73 PRO HB2 H 1.847 0.020 2
714 72 73 PRO HB3 H 2.385 0.020 2
715 72 73 PRO HD2 H 2.935 0.020 2
716 72 73 PRO HD3 H 3.205 0.020 2
717 72 73 PRO HG2 H 1.901 0.020 2
718 72 73 PRO HG3 H 2.082 0.020 2
719 72 73 PRO C C 178.272 0.400 1
720 72 73 PRO CA C 66.708 0.400 1
721 72 73 PRO CB C 32.371 0.400 1
722 72 73 PRO CD C 48.973 0.400 1
723 72 73 PRO CG C 27.058 0.400 1
724 73 74 ARG H H 8.628 0.020 1
725 73 74 ARG HA H 4.197 0.020 1
726 73 74 ARG HB2 H 1.658 0.020 2
727 73 74 ARG HB3 H 1.975 0.020 2
728 73 74 ARG HD2 H 3.132 0.020 2
729 73 74 ARG HD3 H 3.204 0.020 2
730 73 74 ARG HG2 H 1.657 0.020 2
731 73 74 ARG HG3 H 1.679 0.020 2
732 73 74 ARG C C 176.533 0.400 1
733 73 74 ARG CA C 56.701 0.400 1
734 73 74 ARG CB C 30.247 0.400 1
735 73 74 ARG CD C 43.660 0.400 1
736 73 74 ARG CG C 27.797 0.400 1
737 73 74 ARG N N 111.487 0.400 1
738 74 75 THR H H 8.294 0.020 1
739 74 75 THR HA H 3.973 0.020 1
740 74 75 THR HB H 4.144 0.020 1
741 74 75 THR HG2 H 0.722 0.020 1
742 74 75 THR C C 174.459 0.400 1
743 74 75 THR CA C 64.402 0.400 1
744 74 75 THR CB C 68.231 0.400 1
745 74 75 THR CG2 C 21.082 0.400 1
746 74 75 THR N N 119.562 0.400 1
747 75 76 GLN H H 9.188 0.020 1
748 75 76 GLN HA H 4.229 0.020 1
749 75 76 GLN HB2 H 2.014 0.020 2
750 75 76 GLN HB3 H 2.198 0.020 2
751 75 76 GLN HE21 H 6.629 0.020 2
752 75 76 GLN HE22 H 7.554 0.020 2
753 75 76 GLN HG2 H 2.538 0.020 2
754 75 76 GLN HG3 H 2.538 0.020 2
755 75 76 GLN C C 176.908 0.400 1
756 75 76 GLN CA C 56.397 0.400 1
757 75 76 GLN CB C 28.386 0.400 1
758 75 76 GLN CG C 34.031 0.400 1
759 75 76 GLN N N 130.873 0.400 1
760 75 76 GLN NE2 N 112.123 0.400 1
761 76 77 ARG H H 9.014 0.020 1
762 76 77 ARG HA H 3.895 0.020 1
763 76 77 ARG HB2 H 1.848 0.020 2
764 76 77 ARG HB3 H 1.888 0.020 2
765 76 77 ARG HD2 H 3.188 0.020 2
766 76 77 ARG HD3 H 3.188 0.020 2
767 76 77 ARG HG2 H 1.709 0.020 2
768 76 77 ARG HG3 H 1.771 0.020 2
769 76 77 ARG CA C 58.934 0.400 1
770 76 77 ARG CB C 29.051 0.400 1
771 76 77 ARG CD C 42.664 0.400 1
772 76 77 ARG CG C 26.726 0.400 1
773 76 77 ARG N N 127.575 0.400 1
774 77 78 ARG HA H 4.050 0.020 1
775 77 78 ARG HB2 H 1.731 0.020 2
776 77 78 ARG HB3 H 1.849 0.020 2
777 77 78 ARG HD2 H 3.151 0.020 2
778 77 78 ARG HD3 H 3.151 0.020 2
779 77 78 ARG HG2 H 1.544 0.020 2
780 77 78 ARG HG3 H 1.644 0.020 2
781 77 78 ARG C C 177.995 0.400 1
782 77 78 ARG CA C 59.094 0.400 1
783 77 78 ARG CB C 29.586 0.400 1
784 77 78 ARG CD C 42.996 0.400 1
785 77 78 ARG CG C 27.044 0.400 1
786 78 79 ALA H H 6.683 0.020 1
787 78 79 ALA HA H 4.197 0.020 1
788 78 79 ALA HB H 1.414 0.020 1
789 78 79 ALA C C 178.924 0.400 1
790 78 79 ALA CA C 54.587 0.400 1
791 78 79 ALA CB C 18.425 0.400 1
792 78 79 ALA N N 121.969 0.400 1
793 79 80 ALA H H 7.820 0.020 1
794 79 80 ALA HA H 3.798 0.020 1
795 79 80 ALA HB H 1.327 0.020 1
796 79 80 ALA C C 181.077 0.400 1
797 79 80 ALA CA C 54.950 0.400 1
798 79 80 ALA CB C 17.429 0.400 1
799 79 80 ALA N N 120.565 0.400 1
800 80 81 ALA H H 8.349 0.020 1
801 80 81 ALA HA H 4.172 0.020 1
802 80 81 ALA HB H 1.455 0.020 1
803 80 81 ALA C C 179.971 0.400 1
804 80 81 ALA CA C 54.703 0.400 1
805 80 81 ALA CB C 17.718 0.400 1
806 80 81 ALA N N 121.204 0.400 1
807 81 82 GLN H H 7.752 0.020 1
808 81 82 GLN HA H 3.977 0.020 1
809 81 82 GLN HB2 H 2.454 0.020 2
810 81 82 GLN HB3 H 1.887 0.020 2
811 81 82 GLN HE21 H 6.795 0.020 2
812 81 82 GLN HE22 H 7.243 0.020 2
813 81 82 GLN HG2 H 2.328 0.020 2
814 81 82 GLN HG3 H 2.660 0.020 2
815 81 82 GLN C C 179.635 0.400 1
816 81 82 GLN CA C 59.189 0.400 1
817 81 82 GLN CB C 29.383 0.400 1
818 81 82 GLN CG C 34.695 0.400 1
819 81 82 GLN N N 118.468 0.400 1
820 81 82 GLN NE2 N 111.029 0.400 1
821 82 83 ILE H H 7.556 0.020 1
822 82 83 ILE HA H 3.350 0.020 1
823 82 83 ILE HB H 1.915 0.020 1
824 82 83 ILE HD1 H 0.827 0.020 1
825 82 83 ILE HG12 H 0.562 0.020 2
826 82 83 ILE HG13 H 1.791 0.020 2
827 82 83 ILE HG2 H 0.697 0.020 1
828 82 83 ILE C C 176.257 0.400 1
829 82 83 ILE CA C 66.276 0.400 1
830 82 83 ILE CB C 37.684 0.400 1
831 82 83 ILE CD1 C 13.445 0.400 1
832 82 83 ILE CG1 C 30.047 0.400 1
833 82 83 ILE CG2 C 16.101 0.400 1
834 82 83 ILE N N 120.875 0.400 1
835 83 84 ALA H H 7.425 0.020 1
836 83 84 ALA HA H 3.755 0.020 1
837 83 84 ALA HB H 1.414 0.020 1
838 83 84 ALA C C 180.662 0.400 1
839 83 84 ALA CA C 55.319 0.400 1
840 83 84 ALA CB C 17.429 0.400 1
841 83 84 ALA N N 119.316 0.400 1
842 84 85 GLN H H 8.378 0.020 1
843 84 85 GLN HA H 3.879 0.020 1
844 84 85 GLN HB2 H 1.981 0.020 2
845 84 85 GLN HB3 H 2.069 0.020 2
846 84 85 GLN HE21 H 6.795 0.020 2
847 84 85 GLN HE22 H 7.406 0.020 2
848 84 85 GLN HG2 H 2.377 0.020 2
849 84 85 GLN HG3 H 2.417 0.020 2
850 84 85 GLN C C 179.180 0.400 1
851 84 85 GLN CA C 57.938 0.400 1
852 84 85 GLN CB C 28.402 0.400 1
853 84 85 GLN CG C 34.082 0.400 1
854 84 85 GLN N N 115.737 0.400 1
855 84 85 GLN NE2 N 111.904 0.400 1
856 85 86 ALA H H 7.804 0.020 1
857 85 86 ALA HA H 4.025 0.020 1
858 85 86 ALA HB H 1.390 0.020 1
859 85 86 ALA C C 179.753 0.400 1
860 85 86 ALA CA C 54.376 0.400 1
861 85 86 ALA CB C 17.828 0.400 1
862 85 86 ALA N N 123.717 0.400 1
863 86 87 LEU H H 7.002 0.020 1
864 86 87 LEU HA H 3.419 0.020 1
865 86 87 LEU HB2 H 1.218 0.020 2
866 86 87 LEU HB3 H 1.531 0.020 2
867 86 87 LEU HD1 H 0.531 0.020 2
868 86 87 LEU HD2 H -0.311 0.020 2
869 86 87 LEU HG H 1.544 0.020 1
870 86 87 LEU C C 177.284 0.400 1
871 86 87 LEU CA C 55.409 0.400 1
872 86 87 LEU CB C 40.340 0.400 1
873 86 87 LEU CD1 C 27.390 0.400 1
874 86 87 LEU CD2 C 21.082 0.400 1
875 86 87 LEU CG C 25.398 0.400 1
876 86 87 LEU N N 114.748 0.400 1
877 87 88 LEU H H 7.291 0.020 1
878 87 88 LEU HA H 4.362 0.020 1
879 87 88 LEU HB2 H 1.630 0.020 2
880 87 88 LEU HB3 H 1.730 0.020 2
881 87 88 LEU HD1 H 0.809 0.020 2
882 87 88 LEU HD2 H 0.847 0.020 2
883 87 88 LEU HG H 1.659 0.020 1
884 87 88 LEU C C 178.212 0.400 1
885 87 88 LEU CA C 54.950 0.400 1
886 87 88 LEU CB C 42.073 0.400 1
887 87 88 LEU CD1 C 22.742 0.400 1
888 87 88 LEU CD2 C 25.066 0.400 1
889 87 88 LEU CG C 26.394 0.400 1
890 87 88 LEU N N 117.008 0.400 1
891 88 89 GLY H H 7.550 0.020 1
892 88 89 GLY HA2 H 4.496 0.020 2
893 88 89 GLY HA3 H 3.725 0.020 2
894 88 89 GLY C C 172.878 0.400 1
895 88 89 GLY CA C 44.324 0.400 1
896 88 89 GLY N N 107.528 0.400 1
897 89 90 ALA H H 8.165 0.020 1
898 89 90 ALA HA H 4.452 0.020 1
899 89 90 ALA HB H 1.302 0.020 1
900 89 90 ALA C C 175.723 0.400 1
901 89 90 ALA CA C 50.965 0.400 1
902 89 90 ALA CB C 19.421 0.400 1
903 89 90 ALA N N 119.999 0.400 1
904 90 91 GLU H H 7.973 0.020 1
905 90 91 GLU HA H 4.656 0.020 1
906 90 91 GLU HB2 H 1.745 0.020 2
907 90 91 GLU HB3 H 2.008 0.020 2
908 90 91 GLU HG2 H 2.191 0.020 2
909 90 91 GLU HG3 H 2.191 0.020 2
910 90 91 GLU C C 175.071 0.400 1
911 90 91 GLU CA C 54.286 0.400 1
912 90 91 GLU CB C 33.367 0.400 1
913 90 91 GLU CG C 36.023 0.400 1
914 90 91 GLU N N 117.811 0.400 1
915 91 92 GLU H H 8.635 0.020 1
916 91 92 GLU HA H 5.019 0.020 1
917 91 92 GLU HB2 H 1.993 0.020 2
918 91 92 GLU HB3 H 2.024 0.020 2
919 91 92 GLU HG2 H 2.261 0.020 2
920 91 92 GLU HG3 H 2.494 0.020 2
921 91 92 GLU C C 176.652 0.400 1
922 91 92 GLU CA C 55.946 0.400 1
923 91 92 GLU CB C 29.715 0.400 1
924 91 92 GLU CG C 36.023 0.400 1
925 91 92 GLU N N 123.033 0.400 1
926 92 93 ARG H H 8.376 0.020 1
927 92 93 ARG HA H 4.647 0.020 1
928 92 93 ARG HB2 H 1.526 0.020 2
929 92 93 ARG HB3 H 1.588 0.020 2
930 92 93 ARG HD2 H 3.081 0.020 2
931 92 93 ARG HD3 H 3.307 0.020 2
932 92 93 ARG HG2 H 1.553 0.020 2
933 92 93 ARG HG3 H 1.553 0.020 2
934 92 93 ARG C C 173.333 0.400 1
935 92 93 ARG CA C 54.286 0.400 1
936 92 93 ARG CB C 35.027 0.400 1
937 92 93 ARG CD C 42.664 0.400 1
938 92 93 ARG CG C 26.726 0.400 1
939 92 93 ARG N N 125.439 0.400 1
940 92 93 ARG NE N 112.779 0.400 1
941 93 94 LYS H H 8.363 0.020 1
942 93 94 LYS HA H 5.584 0.020 1
943 93 94 LYS HB2 H 1.551 0.020 2
944 93 94 LYS HB3 H 1.631 0.020 2
945 93 94 LYS HD2 H 1.553 0.020 2
946 93 94 LYS HD3 H 1.597 0.020 2
947 93 94 LYS HE2 H 2.838 0.020 2
948 93 94 LYS HE3 H 2.838 0.020 2
949 93 94 LYS HG2 H 1.236 0.020 2
950 93 94 LYS HG3 H 1.344 0.020 2
951 93 94 LYS C C 176.375 0.400 1
952 93 94 LYS CA C 54.912 0.400 1
953 93 94 LYS CB C 35.027 0.400 1
954 93 94 LYS CD C 29.383 0.400 1
955 93 94 LYS CE C 41.336 0.400 1
956 93 94 LYS CG C 25.066 0.400 1
957 93 94 LYS N N 121.939 0.400 1
958 94 95 VAL H H 9.084 0.020 1
959 94 95 VAL HA H 4.171 0.020 1
960 94 95 VAL HB H 1.582 0.020 1
961 94 95 VAL HG1 H 0.637 0.020 2
962 94 95 VAL HG2 H 0.842 0.020 2
963 94 95 VAL C C 173.550 0.400 1
964 94 95 VAL CA C 61.408 0.400 1
965 94 95 VAL CB C 36.687 0.400 1
966 94 95 VAL CG1 C 20.809 0.400 1
967 94 95 VAL CG2 C 21.082 0.400 1
968 94 95 VAL N N 124.731 0.400 1
969 95 96 GLU H H 8.284 0.020 1
970 95 96 GLU HA H 5.218 0.020 1
971 95 96 GLU HB2 H 1.799 0.020 2
972 95 96 GLU HB3 H 1.799 0.020 2
973 95 96 GLU HG2 H 1.832 0.020 2
974 95 96 GLU HG3 H 1.978 0.020 2
975 95 96 GLU C C 175.288 0.400 1
976 95 96 GLU CA C 55.204 0.400 1
977 95 96 GLU CB C 31.357 0.400 1
978 95 96 GLU CG C 37.684 0.400 1
979 95 96 GLU N N 128.314 0.400 1
980 96 97 ILE H H 9.355 0.020 1
981 96 97 ILE HA H 4.164 0.020 1
982 96 97 ILE HB H 1.133 0.020 1
983 96 97 ILE HD1 H 0.384 0.020 1
984 96 97 ILE HG12 H 0.462 0.020 2
985 96 97 ILE HG13 H 1.208 0.020 2
986 96 97 ILE HG2 H -0.241 0.020 1
987 96 97 ILE C C 170.310 0.400 1
988 96 97 ILE CA C 60.207 0.400 1
989 96 97 ILE CB C 42.664 0.400 1
990 96 97 ILE CD1 C 14.441 0.400 1
991 96 97 ILE CG1 C 28.386 0.400 1
992 96 97 ILE CG2 C 14.441 0.400 1
993 96 97 ILE N N 127.438 0.400 1
994 97 98 ALA H H 8.110 0.020 1
995 97 98 ALA HA H 4.645 0.020 1
996 97 98 ALA HB H 0.791 0.020 1
997 97 98 ALA C C 174.557 0.400 1
998 97 98 ALA CA C 50.633 0.400 1
999 97 98 ALA CB C 18.686 0.400 1
1000 97 98 ALA N N 128.970 0.400 1
1001 98 99 PHE H H 8.301 0.020 1
1002 98 99 PHE HA H 5.371 0.020 1
1003 98 99 PHE HB2 H 1.706 0.020 2
1004 98 99 PHE HB3 H 2.776 0.020 2
1005 98 99 PHE HD2 H 7.075 0.020 1
1006 98 99 PHE C C 173.431 0.400 1
1007 98 99 PHE CA C 51.629 0.400 1
1008 98 99 PHE CB C 45.211 0.400 1
1009 98 99 PHE N N 124.157 0.400 1
1010 99 100 TYR H H 9.278 0.020 1
1011 99 100 TYR HA H 5.294 0.020 1
1012 99 100 TYR HB2 H 2.585 0.020 2
1013 99 100 TYR HB3 H 2.650 0.020 2
1014 99 100 TYR HD2 H 7.151 0.020 1
1015 99 100 TYR C C 177.521 0.400 1
1016 99 100 TYR CA C 56.610 0.400 1
1017 99 100 TYR CB C 40.340 0.400 1
1018 99 100 TYR N N 117.155 0.400 1
1019 100 101 ARG H H 8.991 0.020 1
1020 100 101 ARG HA H 4.794 0.020 1
1021 100 101 ARG HB2 H 1.705 0.020 2
1022 100 101 ARG HB3 H 1.705 0.020 2
1023 100 101 ARG HD2 H 2.913 0.020 2
1024 100 101 ARG HD3 H 3.008 0.020 2
1025 100 101 ARG C C 178.291 0.400 1
1026 100 101 ARG CA C 55.614 0.400 1
1027 100 101 ARG CB C 31.043 0.400 1
1028 100 101 ARG CD C 43.660 0.400 1
1029 100 101 ARG N N 119.999 0.400 1
1030 100 101 ARG NE N 113.873 0.400 1
1031 101 102 LYS H H 8.194 0.020 1
1032 101 102 LYS HA H 3.771 0.020 1
1033 101 102 LYS HB2 H 0.319 0.020 2
1034 101 102 LYS HB3 H 1.298 0.020 2
1035 101 102 LYS HD2 H 1.053 0.020 2
1036 101 102 LYS HD3 H 1.295 0.020 2
1037 101 102 LYS HE2 H 2.559 0.020 2
1038 101 102 LYS HE3 H 2.604 0.020 2
1039 101 102 LYS HG2 H 0.915 0.020 2
1040 101 102 LYS HG3 H 1.175 0.020 2
1041 101 102 LYS C C 177.442 0.400 1
1042 101 102 LYS CA C 59.655 0.400 1
1043 101 102 LYS CB C 31.707 0.400 1
1044 101 102 LYS CD C 29.383 0.400 1
1045 101 102 LYS CE C 41.668 0.400 1
1046 101 102 LYS CG C 25.066 0.400 1
1047 101 102 LYS N N 124.157 0.400 1
1048 102 103 ASP H H 7.893 0.020 1
1049 102 103 ASP HA H 4.273 0.020 1
1050 102 103 ASP HB2 H 2.550 0.020 2
1051 102 103 ASP HB3 H 3.033 0.020 2
1052 102 103 ASP C C 177.225 0.400 1
1053 102 103 ASP CA C 53.622 0.400 1
1054 102 103 ASP CB C 39.531 0.400 1
1055 102 103 ASP N N 113.552 0.400 1
1056 103 104 GLY H H 8.329 0.020 1
1057 103 104 GLY HA2 H 4.408 0.020 2
1058 103 104 GLY HA3 H 3.847 0.020 2
1059 103 104 GLY C C 174.656 0.400 1
1060 103 104 GLY CA C 44.988 0.400 1
1061 103 104 GLY N N 109.497 0.400 1
1062 104 105 SER H H 8.519 0.020 1
1063 104 105 SER HA H 4.236 0.020 1
1064 104 105 SER HB2 H 3.951 0.020 2
1065 104 105 SER HB3 H 3.951 0.020 2
1066 104 105 SER C C 172.127 0.400 1
1067 104 105 SER CA C 58.270 0.400 1
1068 104 105 SER CB C 63.583 0.400 1
1069 104 105 SER N N 117.811 0.400 1
1070 105 106 CYS H H 8.518 0.020 1
1071 105 106 CYS HA H 4.822 0.020 1
1072 105 106 CYS HB2 H 2.204 0.020 2
1073 105 106 CYS HB3 H 2.245 0.020 2
1074 105 106 CYS C C 173.906 0.400 1
1075 105 106 CYS CA C 56.278 0.400 1
1076 105 106 CYS CB C 29.383 0.400 1
1077 105 106 CYS N N 121.424 0.400 1
1078 106 107 PHE H H 9.265 0.020 1
1079 106 107 PHE HA H 4.962 0.020 1
1080 106 107 PHE HB2 H 2.899 0.020 2
1081 106 107 PHE HB3 H 2.969 0.020 2
1082 106 107 PHE HD2 H 6.966 0.020 1
1083 106 107 PHE C C 171.574 0.400 1
1084 106 107 PHE CA C 54.984 0.400 1
1085 106 107 PHE CB C 41.345 0.400 1
1086 106 107 PHE N N 127.129 0.400 1
1087 107 108 LEU H H 8.852 0.020 1
1088 107 108 LEU HA H 4.405 0.020 1
1089 107 108 LEU HB2 H 1.711 0.020 2
1090 107 108 LEU HB3 H 1.306 0.020 2
1091 107 108 LEU HD1 H 0.702 0.020 2
1092 107 108 LEU HD2 H 0.676 0.020 2
1093 107 108 LEU HG H 1.309 0.020 1
1094 107 108 LEU C C 175.486 0.400 1
1095 107 108 LEU CA C 53.954 0.400 1
1096 107 108 LEU CB C 42.983 0.400 1
1097 107 108 LEU CD1 C 24.734 0.400 1
1098 107 108 LEU CD2 C 23.074 0.400 1
1099 107 108 LEU CG C 27.058 0.400 1
1100 107 108 LEU N N 123.621 0.400 1
1101 108 109 CYS H H 9.159 0.020 1
1102 108 109 CYS HA H 5.447 0.020 1
1103 108 109 CYS HB2 H 2.723 0.020 2
1104 108 109 CYS HB3 H 2.884 0.020 2
1105 108 109 CYS C C 171.930 0.400 1
1106 108 109 CYS CA C 56.680 0.400 1
1107 108 109 CYS CB C 31.963 0.400 1
1108 108 109 CYS N N 126.782 0.400 1
1109 109 110 LEU H H 9.344 0.020 1
1110 109 110 LEU HA H 4.889 0.020 1
1111 109 110 LEU HB2 H 1.417 0.020 2
1112 109 110 LEU HB3 H 1.548 0.020 2
1113 109 110 LEU HD1 H 0.760 0.020 2
1114 109 110 LEU HD2 H 0.760 0.020 2
1115 109 110 LEU HG H 1.371 0.020 1
1116 109 110 LEU C C 176.000 0.400 1
1117 109 110 LEU CA C 53.622 0.400 1
1118 109 110 LEU CB C 43.278 0.400 1
1119 109 110 LEU CD1 C 24.402 0.400 1
1120 109 110 LEU CG C 27.158 0.400 1
1121 109 110 LEU N N 128.314 0.400 1
1122 110 111 VAL H H 9.291 0.020 1
1123 110 111 VAL HA H 4.578 0.020 1
1124 110 111 VAL HB H 1.796 0.020 1
1125 110 111 VAL HG1 H 0.782 0.020 2
1126 110 111 VAL HG2 H 0.372 0.020 2
1127 110 111 VAL C C 174.597 0.400 1
1128 110 111 VAL CA C 60.594 0.400 1
1129 110 111 VAL CB C 33.367 0.400 1
1130 110 111 VAL CG1 C 23.074 0.400 1
1131 110 111 VAL CG2 C 20.750 0.400 1
1132 110 111 VAL N N 129.408 0.400 1
1133 111 112 ASP H H 8.873 0.020 1
1134 111 112 ASP HA H 5.235 0.020 1
1135 111 112 ASP HB2 H 2.500 0.020 2
1136 111 112 ASP HB3 H 2.659 0.020 2
1137 111 112 ASP C C 174.696 0.400 1
1138 111 112 ASP CA C 52.625 0.400 1
1139 111 112 ASP CB C 42.996 0.400 1
1140 111 112 ASP N N 127.220 0.400 1
1141 112 113 VAL H H 9.318 0.020 1
1142 112 113 VAL HA H 4.281 0.020 1
1143 112 113 VAL HB H 2.076 0.020 1
1144 112 113 VAL HG1 H 0.626 0.020 2
1145 112 113 VAL HG2 H 0.694 0.020 2
1146 112 113 VAL C C 174.893 0.400 1
1147 112 113 VAL CA C 62.582 0.400 1
1148 112 113 VAL CB C 32.131 0.400 1
1149 112 113 VAL CG1 C 21.858 0.400 1
1150 112 113 VAL CG2 C 20.207 0.400 1
1151 112 113 VAL N N 126.754 0.400 1
1152 113 114 VAL H H 9.494 0.020 1
1153 113 114 VAL HA H 4.568 0.020 1
1154 113 114 VAL HB H 2.137 0.020 1
1155 113 114 VAL HG1 H 0.827 0.020 2
1156 113 114 VAL HG2 H 0.767 0.020 2
1157 113 114 VAL CA C 59.598 0.400 1
1158 113 114 VAL CB C 34.695 0.400 1
1159 113 114 VAL CG1 C 20.750 0.400 1
1160 113 114 VAL CG2 C 20.418 0.400 1
1161 113 114 VAL N N 126.688 0.400 1
1162 114 115 PRO HA H 4.254 0.020 1
1163 114 115 PRO HB2 H 1.510 0.020 2
1164 114 115 PRO HB3 H 1.932 0.020 2
1165 114 115 PRO HD2 H 3.753 0.020 2
1166 114 115 PRO HD3 H 3.849 0.020 2
1167 114 115 PRO HG2 H 1.683 0.020 2
1168 114 115 PRO HG3 H 1.683 0.020 2
1169 114 115 PRO C C 175.861 0.400 1
1170 114 115 PRO CA C 62.372 0.400 1
1171 114 115 PRO CB C 32.371 0.400 1
1172 114 115 PRO CD C 50.965 0.400 1
1173 114 115 PRO CG C 26.726 0.400 1
1174 115 116 VAL H H 8.472 0.020 1
1175 115 116 VAL HA H 4.050 0.020 1
1176 115 116 VAL HB H 1.708 0.020 1
1177 115 116 VAL HG1 H 0.846 0.020 2
1178 115 116 VAL HG2 H 0.744 0.020 2
1179 115 116 VAL C C 174.814 0.400 1
1180 115 116 VAL CA C 61.992 0.400 1
1181 115 116 VAL CB C 33.035 0.400 1
1182 115 116 VAL CG1 C 20.750 0.400 1
1183 115 116 VAL CG2 C 20.418 0.400 1
1184 115 116 VAL N N 124.137 0.400 1
1185 116 117 LYS H H 8.560 0.020 1
1186 116 117 LYS HA H 5.247 0.020 1
1187 116 117 LYS HB2 H 1.560 0.020 2
1188 116 117 LYS HB3 H 1.560 0.020 2
1189 116 117 LYS HD2 H 1.539 0.020 2
1190 116 117 LYS HD3 H 1.539 0.020 2
1191 116 117 LYS HE2 H 2.769 0.020 2
1192 116 117 LYS HE3 H 2.797 0.020 2
1193 116 117 LYS HG2 H 0.940 0.020 2
1194 116 117 LYS HG3 H 1.092 0.020 2
1195 116 117 LYS C C 176.908 0.400 1
1196 116 117 LYS CA C 54.286 0.400 1
1197 116 117 LYS CB C 35.729 0.400 1
1198 116 117 LYS CD C 29.383 0.400 1
1199 116 117 LYS CE C 42.000 0.400 1
1200 116 117 LYS CG C 26.062 0.400 1
1201 116 117 LYS N N 126.563 0.400 1
1202 117 118 ASN H H 8.426 0.020 1
1203 117 118 ASN HA H 4.655 0.020 1
1204 117 118 ASN HB2 H 3.400 0.020 2
1205 117 118 ASN HB3 H 2.619 0.020 2
1206 117 118 ASN HD21 H 7.309 0.020 2
1207 117 118 ASN HD22 H 7.551 0.020 2
1208 117 118 ASN C C 177.560 0.400 1
1209 117 118 ASN CA C 50.301 0.400 1
1210 117 118 ASN CB C 38.744 0.400 1
1211 117 118 ASN N N 117.712 0.400 1
1212 117 118 ASN ND2 N 111.685 0.400 1
1213 118 119 GLU H H 9.120 0.020 1
1214 118 119 GLU HA H 3.984 0.020 1
1215 118 119 GLU HB2 H 1.942 0.020 2
1216 118 119 GLU HB3 H 2.009 0.020 2
1217 118 119 GLU HG2 H 2.266 0.020 2
1218 118 119 GLU HG3 H 2.266 0.020 2
1219 118 119 GLU C C 176.869 0.400 1
1220 118 119 GLU CA C 59.598 0.400 1
1221 118 119 GLU CB C 28.856 0.400 1
1222 118 119 GLU CG C 36.209 0.400 1
1223 118 119 GLU N N 119.022 0.400 1
1224 119 120 ASP H H 7.364 0.020 1
1225 119 120 ASP HA H 4.666 0.020 1
1226 119 120 ASP HB2 H 2.506 0.020 2
1227 119 120 ASP HB3 H 2.779 0.020 2
1228 119 120 ASP C C 176.513 0.400 1
1229 119 120 ASP CA C 54.286 0.400 1
1230 119 120 ASP CB C 41.363 0.400 1
1231 119 120 ASP N N 116.831 0.400 1
1232 120 121 GLY H H 7.998 0.020 1
1233 120 121 GLY HA2 H 3.660 0.020 2
1234 120 121 GLY HA3 H 4.230 0.020 2
1235 120 121 GLY C C 173.017 0.400 1
1236 120 121 GLY CA C 44.988 0.400 1
1237 120 121 GLY N N 107.435 0.400 1
1238 121 122 ALA H H 7.724 0.020 1
1239 121 122 ALA HA H 4.303 0.020 1
1240 121 122 ALA HB H 1.180 0.020 1
1241 121 122 ALA C C 177.047 0.400 1
1242 121 122 ALA CA C 50.941 0.400 1
1243 121 122 ALA CB C 19.198 0.400 1
1244 121 122 ALA N N 123.848 0.400 1
1245 122 123 VAL H H 8.602 0.020 1
1246 122 123 VAL HA H 3.732 0.020 1
1247 122 123 VAL HB H 1.808 0.020 1
1248 122 123 VAL HG1 H 0.798 0.020 2
1249 122 123 VAL HG2 H 0.255 0.020 2
1250 122 123 VAL C C 176.276 0.400 1
1251 122 123 VAL CA C 63.583 0.400 1
1252 122 123 VAL CB C 31.043 0.400 1
1253 122 123 VAL CG1 C 22.078 0.400 1
1254 122 123 VAL CG2 C 21.746 0.400 1
1255 122 123 VAL N N 122.022 0.400 1
1256 123 124 ILE H H 8.576 0.020 1
1257 123 124 ILE HA H 4.413 0.020 1
1258 123 124 ILE HB H 1.794 0.020 1
1259 123 124 ILE HD1 H 0.598 0.020 1
1260 123 124 ILE HG12 H 0.956 0.020 2
1261 123 124 ILE HG13 H 1.205 0.020 2
1262 123 124 ILE HG2 H 0.794 0.020 1
1263 123 124 ILE C C 176.434 0.400 1
1264 123 124 ILE CA C 61.258 0.400 1
1265 123 124 ILE CB C 39.883 0.400 1
1266 123 124 ILE CD1 C 13.445 0.400 1
1267 123 124 ILE CG1 C 26.062 0.400 1
1268 123 124 ILE CG2 C 18.757 0.400 1
1269 123 124 ILE N N 120.534 0.400 1
1270 124 125 MET H H 7.819 0.020 1
1271 124 125 MET HA H 5.128 0.020 1
1272 124 125 MET HB2 H 1.620 0.020 2
1273 124 125 MET HB3 H 2.134 0.020 2
1274 124 125 MET HE H 1.909 0.020 1
1275 124 125 MET HG2 H 2.595 0.020 2
1276 124 125 MET HG3 H 2.309 0.020 2
1277 124 125 MET C C 172.503 0.400 1
1278 124 125 MET CA C 54.749 0.400 1
1279 124 125 MET CB C 39.012 0.400 1
1280 124 125 MET CE C 18.425 0.400 1
1281 124 125 MET CG C 33.699 0.400 1
1282 124 125 MET N N 120.256 0.400 1
1283 125 126 PHE H H 8.564 0.020 1
1284 125 126 PHE HA H 5.127 0.020 1
1285 125 126 PHE HB2 H 2.341 0.020 2
1286 125 126 PHE HB3 H 2.586 0.020 2
1287 125 126 PHE HD2 H 6.677 0.020 1
1288 125 126 PHE C C 174.538 0.400 1
1289 125 126 PHE CA C 57.657 0.400 1
1290 125 126 PHE CB C 44.066 0.400 1
1291 125 126 PHE N N 114.664 0.400 1
1292 126 127 ILE H H 9.206 0.020 1
1293 126 127 ILE HA H 4.760 0.020 1
1294 126 127 ILE HB H 1.428 0.020 1
1295 126 127 ILE HD1 H 0.296 0.020 1
1296 126 127 ILE HG12 H 0.622 0.020 2
1297 126 127 ILE HG13 H 1.115 0.020 2
1298 126 127 ILE HG2 H 0.345 0.020 1
1299 126 127 ILE C C 175.111 0.400 1
1300 126 127 ILE CA C 59.905 0.400 1
1301 126 127 ILE CB C 40.008 0.400 1
1302 126 127 ILE CD1 C 14.441 0.400 1
1303 126 127 ILE CG1 C 27.722 0.400 1
1304 126 127 ILE CG2 C 17.445 0.400 1
1305 126 127 ILE N N 122.547 0.400 1
1306 127 128 LEU H H 8.890 0.020 1
1307 127 128 LEU HA H 5.480 0.020 1
1308 127 128 LEU HB2 H 1.153 0.020 2
1309 127 128 LEU HB3 H 1.459 0.020 2
1310 127 128 LEU HD1 H 0.738 0.020 2
1311 127 128 LEU HD2 H 0.748 0.020 2
1312 127 128 LEU HG H 1.519 0.020 1
1313 127 128 LEU C C 174.340 0.400 1
1314 127 128 LEU CA C 55.895 0.400 1
1315 127 128 LEU CB C 42.996 0.400 1
1316 127 128 LEU CD1 C 26.726 0.400 1
1317 127 128 LEU CD2 C 24.734 0.400 1
1318 127 128 LEU CG C 31.043 0.400 1
1319 127 128 LEU N N 127.777 0.400 1
1320 128 129 ASN H H 8.702 0.020 1
1321 128 129 ASN HA H 5.528 0.020 1
1322 128 129 ASN HB2 H 2.854 0.020 2
1323 128 129 ASN HB3 H 2.559 0.020 2
1324 128 129 ASN HD21 H 6.311 0.020 2
1325 128 129 ASN HD22 H 7.377 0.020 2
1326 128 129 ASN C C 174.143 0.400 1
1327 128 129 ASN CA C 51.825 0.400 1
1328 128 129 ASN CB C 42.669 0.400 1
1329 128 129 ASN N N 120.984 0.400 1
1330 128 129 ASN ND2 N 111.685 0.400 1
1331 129 130 PHE H H 9.171 0.020 1
1332 129 130 PHE HA H 5.040 0.020 1
1333 129 130 PHE HB2 H 3.078 0.020 2
1334 129 130 PHE HB3 H 2.759 0.020 2
1335 129 130 PHE HD2 H 7.584 0.020 1
1336 129 130 PHE C C 175.269 0.400 1
1337 129 130 PHE CA C 57.606 0.400 1
1338 129 130 PHE CB C 41.668 0.400 1
1339 129 130 PHE N N 122.406 0.400 1
1340 130 131 GLU H H 8.634 0.020 1
1341 130 131 GLU HA H 4.860 0.020 1
1342 130 131 GLU HB2 H 2.014 0.020 2
1343 130 131 GLU HB3 H 2.066 0.020 2
1344 130 131 GLU HG2 H 2.238 0.020 2
1345 130 131 GLU HG3 H 2.308 0.020 2
1346 130 131 GLU C C 174.992 0.400 1
1347 130 131 GLU CA C 54.569 0.400 1
1348 130 131 GLU CB C 32.908 0.400 1
1349 130 131 GLU CG C 36.023 0.400 1
1350 130 131 GLU N N 123.006 0.400 1
1351 131 132 VAL H H 9.006 0.020 1
1352 131 132 VAL HA H 4.260 0.020 1
1353 131 132 VAL HB H 1.973 0.020 1
1354 131 132 VAL HG1 H 0.863 0.020 2
1355 131 132 VAL HG2 H 0.937 0.020 2
1356 131 132 VAL C C 176.158 0.400 1
1357 131 132 VAL CA C 63.915 0.400 1
1358 131 132 VAL CB C 32.039 0.400 1
1359 131 132 VAL CG1 C 23.074 0.400 1
1360 131 132 VAL CG2 C 21.348 0.400 1
1361 131 132 VAL N N 126.126 0.400 1
1362 132 133 VAL H H 8.846 0.020 1
1363 132 133 VAL HA H 4.051 0.020 1
1364 132 133 VAL HB H 1.747 0.020 1
1365 132 133 VAL HG1 H 0.855 0.020 2
1366 132 133 VAL HG2 H 0.855 0.020 2
1367 132 133 VAL C C 175.565 0.400 1
1368 132 133 VAL CA C 62.587 0.400 1
1369 132 133 VAL CB C 33.110 0.400 1
1370 132 133 VAL CG1 C 21.082 0.400 1
1371 132 133 VAL N N 129.087 0.400 1
1372 133 134 MET H H 8.137 0.020 1
1373 133 134 MET HA H 4.531 0.020 1
1374 133 134 MET HB2 H 2.007 0.020 2
1375 133 134 MET HB3 H 2.084 0.020 2
1376 133 134 MET HG2 H 2.459 0.020 2
1377 133 134 MET HG3 H 2.525 0.020 2
1378 133 134 MET C C 175.249 0.400 1
1379 133 134 MET CA C 54.950 0.400 1
1380 133 134 MET CB C 33.842 0.400 1
1381 133 134 MET CG C 31.478 0.400 1
1382 133 134 MET N N 121.020 0.400 1
1383 134 135 GLU H H 8.580 0.020 1
1384 134 135 GLU HA H 4.295 0.020 1
1385 134 135 GLU HB2 H 1.850 0.020 2
1386 134 135 GLU HB3 H 2.126 0.020 2
1387 134 135 GLU HG2 H 2.178 0.020 2
1388 134 135 GLU HG3 H 2.284 0.020 2
1389 134 135 GLU C C 175.387 0.400 1
1390 134 135 GLU CA C 56.603 0.400 1
1391 134 135 GLU CB C 30.401 0.400 1
1392 134 135 GLU CG C 36.205 0.400 1
1393 134 135 GLU N N 123.394 0.400 1
1394 135 136 LYS H H 8.080 0.020 1
1395 135 136 LYS HA H 4.171 0.020 1
1396 135 136 LYS HB2 H 1.768 0.020 2
1397 135 136 LYS HB3 H 1.524 0.020 2
1398 135 136 LYS HD2 H 1.606 0.020 2
1399 135 136 LYS HD3 H 1.606 0.020 2
1400 135 136 LYS HE2 H 2.886 0.020 2
1401 135 136 LYS HE3 H 2.921 0.020 2
1402 135 136 LYS HG2 H 1.295 0.020 2
1403 135 136 LYS HG3 H 1.295 0.020 2
1404 135 136 LYS C C 180.962 0.400 1
1405 135 136 LYS CA C 56.942 0.400 1
1406 135 136 LYS CB C 33.699 0.400 1
1407 135 136 LYS CD C 33.035 0.400 1
1408 135 136 LYS CE C 41.668 0.400 1
1409 135 136 LYS CG C 24.734 0.400 1
1410 135 136 LYS N N 127.606 0.400 1
stop_
save_