data_17324
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR Solution Structure of the winged-helix domain from MUS81 junction-specific endonuclease
;
_BMRB_accession_number 17324
_BMRB_flat_file_name bmr17324.str
_Entry_type original
_Submission_date 2010-11-27
_Accession_date 2010-11-27
_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 Harris Richard . .
2 Fadden Andrew . .
3 McDonald Neil Q. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 599
"13C chemical shifts" 432
"15N chemical shifts" 90
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2013-09-16 original author .
stop_
_Original_release_date 2013-09-16
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'A winged helix domain in human Mus81 is required for DNA binding'
_Citation_status submitted
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Fadden A. . .
2 Harris R. . .
3 McDonald N. Q. .
stop_
_Journal_abbreviation 'to be published'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Mus81-winged helix domain'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Mus81-winged helix domain' $Mus81-winged_helix_domain
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_Mus81-winged_helix_domain
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Mus81-winged_helix_domain
_Molecular_mass 11476.323
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 103
_Mol_residue_sequence
;
GSYWPARHSGARVILLVLYR
EHLNPNGHHFLTKEELLQRC
AQKSPRVAPGSAPPWPALRS
LLHRNLVLRTHQPARYSLTP
EGLELAQKLAESEGLSLLNV
GIG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 TYR 4 TRP 5 PRO
6 ALA 7 ARG 8 HIS 9 SER 10 GLY
11 ALA 12 ARG 13 VAL 14 ILE 15 LEU
16 LEU 17 VAL 18 LEU 19 TYR 20 ARG
21 GLU 22 HIS 23 LEU 24 ASN 25 PRO
26 ASN 27 GLY 28 HIS 29 HIS 30 PHE
31 LEU 32 THR 33 LYS 34 GLU 35 GLU
36 LEU 37 LEU 38 GLN 39 ARG 40 CYS
41 ALA 42 GLN 43 LYS 44 SER 45 PRO
46 ARG 47 VAL 48 ALA 49 PRO 50 GLY
51 SER 52 ALA 53 PRO 54 PRO 55 TRP
56 PRO 57 ALA 58 LEU 59 ARG 60 SER
61 LEU 62 LEU 63 HIS 64 ARG 65 ASN
66 LEU 67 VAL 68 LEU 69 ARG 70 THR
71 HIS 72 GLN 73 PRO 74 ALA 75 ARG
76 TYR 77 SER 78 LEU 79 THR 80 PRO
81 GLU 82 GLY 83 LEU 84 GLU 85 LEU
86 ALA 87 GLN 88 LYS 89 LEU 90 ALA
91 GLU 92 SER 93 GLU 94 GLY 95 LEU
96 SER 97 LEU 98 LEU 99 ASN 100 VAL
101 GLY 102 ILE 103 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-15
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 2MC3 "Nmr Solution Structure Of The Winged-helix Domain From Mus81 Structure-specific Endonuclease" 100.00 109 100.00 100.00 1.18e-65
DBJ BAB14953 "unnamed protein product [Homo sapiens]" 100.00 476 100.00 100.00 7.54e-63
DBJ BAD97284 "MUS81 endonuclease homolog [Homo sapiens]" 100.00 550 99.03 99.03 9.24e-61
DBJ BAG54375 "unnamed protein product [Homo sapiens]" 100.00 551 100.00 100.00 5.35e-62
DBJ BAK63074 "crossover junction endonuclease MUS81 [Pan troglodytes]" 100.00 551 99.03 99.03 7.31e-61
GB AAH09999 "MUS81 endonuclease homolog (S. cerevisiae) [Homo sapiens]" 100.00 551 100.00 100.00 5.35e-62
GB AAL28065 "MUS81 endonuclease [Homo sapiens]" 100.00 551 100.00 100.00 5.35e-62
GB AIC57164 "MUS81, partial [synthetic construct]" 100.00 551 100.00 100.00 5.35e-62
GB EAW74453 "MUS81 endonuclease homolog (yeast), isoform CRA_a [Homo sapiens]" 100.00 616 100.00 100.00 2.17e-61
GB EAW74454 "MUS81 endonuclease homolog (yeast), isoform CRA_b [Homo sapiens]" 100.00 551 100.00 100.00 5.35e-62
REF NP_001267425 "crossover junction endonuclease MUS81 [Pan troglodytes]" 100.00 551 99.03 99.03 7.31e-61
REF NP_079404 "crossover junction endonuclease MUS81 [Homo sapiens]" 100.00 551 99.03 99.03 9.71e-61
REF XP_003274252 "PREDICTED: crossover junction endonuclease MUS81 [Nomascus leucogenys]" 100.00 551 97.09 99.03 1.86e-59
REF XP_003828690 "PREDICTED: crossover junction endonuclease MUS81 isoform X2 [Pan paniscus]" 100.00 551 99.03 99.03 6.94e-61
REF XP_004051573 "PREDICTED: crossover junction endonuclease MUS81 [Gorilla gorilla gorilla]" 100.00 551 97.09 98.06 3.42e-59
SP Q96NY9 "RecName: Full=Crossover junction endonuclease MUS81" 100.00 551 99.03 99.03 9.71e-61
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
$Mus81-winged_helix_domain Human 9606 Eukaryota Metazoa Homo sapiens mus81
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$Mus81-winged_helix_domain 'recombinant technology' . Escherichia coli BL21(DE3)recA- pET41a
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '25mM Na phosphate buffer; 250mM NaCl; 1mM EDTA; 1mM DTT; pH 7.0'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Mus81-winged_helix_domain 1 mM '[U-100% 13C; U-100% 15N]'
'sodium phosphate' 25 mM 'natural abundance'
'sodium chloride' 250 mM 'natural abundance'
EDTA 1 mM 'natural abundance'
DTT 1 mM 'natural abundance'
D2O 10 % 'natural abundance'
H2O 90 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details '25mM Na phosphate buffer; 250mM NaCl; 1mM EDTA; 1mM DTT; pH 7.0'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Mus81-winged_helix_domain 1 mM '[U-100% 13C; U-100% 15N]'
'sodium phosphate' 25 mM 'natural abundance'
'sodium chloride' 250 mM 'natural abundance'
EDTA 1 mM 'natural abundance'
DTT 1 mM 'natural abundance'
D2O 100 % 'natural abundance'
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details '25mM Na phosphate buffer; 250mM NaCl; 1mM EDTA; 1mM DTT; pH 7.0; 5% n-octyl-penta(ethyleneglycol):octanol 0.96:1'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Mus81-winged_helix_domain 1 mM '[U-100% 15N]'
'sodium phosphate' 25 mM 'natural abundance'
'sodium chloride' 250 mM 'natural abundance'
EDTA 1 mM 'natural abundance'
DTT 1 mM 'natural abundance'
'n-octyl-penta(ethyleneglycol):octanol 0.96:1' 5 % 'natural abundance'
D2O 10 % 'natural abundance'
H2O 90 % 'natural abundance'
stop_
save_
save_sample_4
_Saveframe_category sample
_Sample_type solution
_Details '25mM Na phosphate buffer; 250mM NaCl; 1mM EDTA; 1mM DTT; pH 7.0'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Mus81-winged_helix_domain 1 mM '[U-100% 15N]'
'sodium phosphate' 25 mM 'natural abundance'
'sodium chloride' 250 mM 'natural abundance'
EDTA 1 mM 'natural abundance'
DTT 1 mM 'natural abundance'
D2O 10 % 'natural abundance'
H2O 90 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger A. T. et.al.' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_ANSIG
_Saveframe_category software
_Name ANSIG
_Version .
loop_
_Vendor
_Address
_Electronic_address
Kraulis . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model UnityPlus
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N_NOESY-HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N NOESY-HSQC'
_Sample_label $sample_4
save_
save_3D_13C_NOESY-HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C NOESY-HSQC'
_Sample_label $sample_2
save_
save_3D_13C_aromatic_NOESY-HSQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C aromatic NOESY-HSQC'
_Sample_label $sample_2
save_
save_2D_IPAP_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D IPAP'
_Sample_label $sample_3
save_
save_2D_1H-15N_HSQC_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_4
save_
save_2D_1H-13C_HSQC_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_2
save_
save_3D_HNCO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_2D_1H-13C_aromatic_HSQC_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C aromatic HSQC'
_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' 250 . mM
pH 7.0 . 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
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
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$ANSIG
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D HNCO'
'2D 1H-13C aromatic HSQC'
stop_
loop_
_Sample_label
$sample_4
$sample_2
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'Mus81-winged helix 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 1 1 GLY HA2 H 3.923 0.02 1
2 1 1 GLY HA3 H 3.923 0.02 1
3 1 1 GLY CA C 43.269 0.4 1
4 2 2 SER HA H 4.486 0.02 1
5 2 2 SER HB2 H 3.879 0.02 1
6 2 2 SER HB3 H 3.879 0.02 1
7 2 2 SER CA C 58.371 0.4 1
8 2 2 SER CB C 63.526 0.4 1
9 3 3 TYR HA H 4.546 0.02 1
10 3 3 TYR HB2 H 2.768 0.02 2
11 3 3 TYR HB3 H 3.046 0.02 2
12 3 3 TYR HD1 H 6.932 0.02 1
13 3 3 TYR HD2 H 6.932 0.02 1
14 3 3 TYR HE1 H 6.423 0.02 1
15 3 3 TYR HE2 H 6.423 0.02 1
16 3 3 TYR C C 174.407 0.4 1
17 3 3 TYR CA C 58.464 0.4 1
18 3 3 TYR CB C 39.465 0.4 1
19 3 3 TYR CD1 C 133.087 0.4 1
20 3 3 TYR CD2 C 133.087 0.4 1
21 3 3 TYR CE1 C 117.385 0.4 1
22 3 3 TYR CE2 C 117.385 0.4 1
23 4 4 TRP H H 8.193 0.02 1
24 4 4 TRP HA H 4.751 0.02 1
25 4 4 TRP HB2 H 2.793 0.02 2
26 4 4 TRP HB3 H 3.066 0.02 2
27 4 4 TRP HD1 H 6.892 0.02 1
28 4 4 TRP HE1 H 9.885 0.02 1
29 4 4 TRP HE3 H 7.582 0.02 1
30 4 4 TRP HZ2 H 7.401 0.02 1
31 4 4 TRP HZ3 H 6.867 0.02 1
32 4 4 TRP HH2 H 6.857 0.02 1
33 4 4 TRP CA C 53.266 0.4 1
34 4 4 TRP CB C 30.524 0.4 1
35 4 4 TRP CD1 C 127.405 0.4 1
36 4 4 TRP CE3 C 121.441 0.4 1
37 4 4 TRP CZ2 C 114.559 0.4 1
38 4 4 TRP CZ3 C 121.246 0.4 1
39 4 4 TRP CH2 C 123.563 0.4 1
40 4 4 TRP N N 128.915 0.1 1
41 4 4 TRP NE1 N 128.501 0.1 1
42 5 5 PRO HA H 4.021 0.02 1
43 5 5 PRO HB2 H 1.558 0.02 2
44 5 5 PRO HB3 H 1.929 0.02 2
45 5 5 PRO HG2 H 1.339 0.02 1
46 5 5 PRO HG3 H 1.339 0.02 1
47 5 5 PRO HD2 H 2.449 0.02 2
48 5 5 PRO HD3 H 2.744 0.02 2
49 5 5 PRO C C 176.371 0.4 1
50 5 5 PRO CA C 61.993 0.4 1
51 5 5 PRO CB C 31.553 0.4 1
52 5 5 PRO CG C 26.805 0.4 1
53 5 5 PRO CD C 49.226 0.4 1
54 6 6 ALA H H 8.585 0.02 1
55 6 6 ALA HA H 4.077 0.02 1
56 6 6 ALA HB H 1.469 0.02 1
57 6 6 ALA CA C 52.199 0.4 1
58 6 6 ALA CB C 19.964 0.4 1
59 6 6 ALA N N 126.354 0.1 1
60 7 7 ARG HA H 3.501 0.02 1
61 7 7 ARG HB2 H 1.378 0.02 2
62 7 7 ARG HB3 H 1.598 0.02 2
63 7 7 ARG HG2 H 1.025 0.02 2
64 7 7 ARG HG3 H 1.45 0.02 2
65 7 7 ARG HD2 H 3.055 0.02 1
66 7 7 ARG HD3 H 3.055 0.02 1
67 7 7 ARG CA C 59.051 0.4 1
68 7 7 ARG CB C 29.978 0.4 1
69 7 7 ARG CG C 27.472 0.4 1
70 7 7 ARG CD C 43.294 0.4 1
71 8 8 HIS HA H 4.303 0.02 1
72 8 8 HIS HB2 H 3.235 0.02 2
73 8 8 HIS HB3 H 3.378 0.02 2
74 8 8 HIS HD2 H 6.949 0.02 1
75 8 8 HIS C C 174.736 0.4 1
76 8 8 HIS CA C 57.105 0.4 1
77 8 8 HIS CB C 28.929 0.4 1
78 9 9 SER H H 7.797 0.02 1
79 9 9 SER HA H 4.424 0.02 1
80 9 9 SER HB2 H 3.86 0.02 2
81 9 9 SER HB3 H 4.324 0.02 2
82 9 9 SER CA C 58.411 0.4 1
83 9 9 SER CB C 65.289 0.4 1
84 9 9 SER N N 115.5 0.1 1
85 10 10 GLY HA2 H 3.823 0.02 1
86 10 10 GLY HA3 H 3.823 0.02 1
87 10 10 GLY C C 175.547 0.4 1
88 10 10 GLY CA C 47.461 0.4 1
89 11 11 ALA H H 8.533 0.02 1
90 11 11 ALA HA H 3.816 0.02 1
91 11 11 ALA HB H 1.376 0.02 1
92 11 11 ALA C C 178.486 0.4 1
93 11 11 ALA CA C 55.104 0.4 1
94 11 11 ALA CB C 18.973 0.4 1
95 11 11 ALA N N 121.001 0.1 1
96 12 12 ARG H H 7.405 0.02 1
97 12 12 ARG HA H 3.466 0.02 1
98 12 12 ARG HB2 H 1.343 0.02 2
99 12 12 ARG HB3 H 1.771 0.02 2
100 12 12 ARG HG2 H 1.146 0.02 2
101 12 12 ARG HG3 H 1.512 0.02 2
102 12 12 ARG HD2 H 2.97 0.02 2
103 12 12 ARG HD3 H 3.338 0.02 2
104 12 12 ARG C C 176.933 0.4 1
105 12 12 ARG CA C 60.14 0.4 1
106 12 12 ARG CB C 30.742 0.4 1
107 12 12 ARG CG C 28.39 0.4 1
108 12 12 ARG CD C 43.94 0.4 1
109 12 12 ARG N N 115.319 0.1 1
110 13 13 VAL H H 7.742 0.02 1
111 13 13 VAL HA H 3.514 0.02 1
112 13 13 VAL HB H 2.191 0.02 1
113 13 13 VAL HG1 H 1.049 0.02 2
114 13 13 VAL HG2 H 1.075 0.02 2
115 13 13 VAL C C 177.735 0.4 1
116 13 13 VAL CA C 67.072 0.4 1
117 13 13 VAL CB C 31.788 0.4 1
118 13 13 VAL CG1 C 22.907 0.4 2
119 13 13 VAL CG2 C 21.573 0.4 2
120 13 13 VAL N N 117.05 0.1 1
121 14 14 ILE H H 7.887 0.02 1
122 14 14 ILE HA H 3.385 0.02 1
123 14 14 ILE HB H 1.534 0.02 1
124 14 14 ILE HG12 H 0.72 0.02 2
125 14 14 ILE HG13 H 1.781 0.02 2
126 14 14 ILE HG2 H 0.525 0.02 1
127 14 14 ILE HD1 H 0.159 0.02 1
128 14 14 ILE C C 177.697 0.4 1
129 14 14 ILE CA C 66.055 0.4 1
130 14 14 ILE CB C 38.368 0.4 1
131 14 14 ILE CG1 C 30.187 0.4 1
132 14 14 ILE CG2 C 18.145 0.4 1
133 14 14 ILE CD1 C 14.431 0.4 1
134 14 14 ILE N N 118.375 0.1 1
135 15 15 LEU H H 7.454 0.02 1
136 15 15 LEU HA H 3.8 0.02 1
137 15 15 LEU HB2 H 0.987 0.02 2
138 15 15 LEU HB3 H 1.857 0.02 2
139 15 15 LEU HD1 H 0.632 0.02 2
140 15 15 LEU HD2 H 0.703 0.02 2
141 15 15 LEU C C 178.928 0.4 1
142 15 15 LEU CA C 58.684 0.4 1
143 15 15 LEU CB C 42.038 0.4 1
144 15 15 LEU CD1 C 27.153 0.4 2
145 15 15 LEU CD2 C 23.741 0.4 2
146 15 15 LEU N N 116.518 0.1 1
147 16 16 LEU H H 8.191 0.02 1
148 16 16 LEU HA H 4.158 0.02 1
149 16 16 LEU HB2 H 1.361 0.02 2
150 16 16 LEU HB3 H 1.983 0.02 2
151 16 16 LEU HG H 1.72 0.02 1
152 16 16 LEU HD1 H 0.678 0.02 2
153 16 16 LEU HD2 H 0.719 0.02 2
154 16 16 LEU C C 180.202 0.4 1
155 16 16 LEU CA C 58.154 0.4 1
156 16 16 LEU CB C 41.598 0.4 1
157 16 16 LEU CG C 26.733 0.4 1
158 16 16 LEU CD1 C 22.486 0.4 2
159 16 16 LEU CD2 C 26.116 0.4 2
160 16 16 LEU N N 117.134 0.1 1
161 17 17 VAL H H 8.718 0.02 1
162 17 17 VAL HA H 3.722 0.02 1
163 17 17 VAL HB H 2.187 0.02 1
164 17 17 VAL HG1 H 0.886 0.02 2
165 17 17 VAL HG2 H 1.069 0.02 2
166 17 17 VAL C C 179.958 0.4 1
167 17 17 VAL CA C 66.973 0.4 1
168 17 17 VAL CB C 31.789 0.4 1
169 17 17 VAL CG1 C 22.794 0.4 2
170 17 17 VAL CG2 C 23.871 0.4 2
171 17 17 VAL N N 122.275 0.1 1
172 18 18 LEU H H 8.282 0.02 1
173 18 18 LEU HA H 4.05 0.02 1
174 18 18 LEU HB2 H 1.391 0.02 2
175 18 18 LEU HB3 H 2.005 0.02 2
176 18 18 LEU HG H 1.71 0.02 1
177 18 18 LEU HD1 H 0.695 0.02 2
178 18 18 LEU HD2 H 0.904 0.02 2
179 18 18 LEU C C 179.857 0.4 1
180 18 18 LEU CA C 58.137 0.4 1
181 18 18 LEU CB C 41.848 0.4 1
182 18 18 LEU CG C 27.536 0.4 1
183 18 18 LEU CD1 C 27.563 0.4 2
184 18 18 LEU CD2 C 24.059 0.4 2
185 18 18 LEU N N 120.133 0.1 1
186 19 19 TYR H H 8.805 0.02 1
187 19 19 TYR HA H 4.13 0.02 1
188 19 19 TYR HB2 H 3.037 0.02 2
189 19 19 TYR HB3 H 3.178 0.02 2
190 19 19 TYR HD1 H 6.75 0.02 1
191 19 19 TYR HD2 H 6.75 0.02 1
192 19 19 TYR HE1 H 6.649 0.02 1
193 19 19 TYR HE2 H 6.649 0.02 1
194 19 19 TYR C C 176.614 0.4 1
195 19 19 TYR CA C 61 0.4 1
196 19 19 TYR CB C 39.379 0.4 1
197 19 19 TYR CD1 C 132.18 0.4 1
198 19 19 TYR CD2 C 132.18 0.4 1
199 19 19 TYR CE1 C 118.045 0.4 1
200 19 19 TYR CE2 C 118.045 0.4 1
201 19 19 TYR N N 122.584 0.1 1
202 20 20 ARG H H 8.227 0.02 1
203 20 20 ARG HA H 3.672 0.02 1
204 20 20 ARG HB2 H 1.941 0.02 1
205 20 20 ARG HB3 H 1.941 0.02 1
206 20 20 ARG HG2 H 1.667 0.02 2
207 20 20 ARG HG3 H 1.855 0.02 2
208 20 20 ARG HD2 H 3.206 0.02 1
209 20 20 ARG HD3 H 3.206 0.02 1
210 20 20 ARG C C 179.233 0.4 1
211 20 20 ARG CA C 59.738 0.4 1
212 20 20 ARG CB C 29.772 0.4 1
213 20 20 ARG CG C 28.267 0.4 1
214 20 20 ARG CD C 43.505 0.4 1
215 20 20 ARG N N 117.419 0.1 1
216 21 21 GLU H H 7.386 0.02 1
217 21 21 GLU HA H 4.239 0.02 1
218 21 21 GLU HB2 H 1.988 0.02 2
219 21 21 GLU HB3 H 2.096 0.02 2
220 21 21 GLU HG2 H 2.274 0.02 1
221 21 21 GLU HG3 H 2.274 0.02 1
222 21 21 GLU C C 178.697 0.4 1
223 21 21 GLU CA C 58.222 0.4 1
224 21 21 GLU CB C 28.804 0.4 1
225 21 21 GLU CG C 35.392 0.4 1
226 21 21 GLU N N 117.638 0.1 1
227 22 22 HIS H H 8.107 0.02 1
228 22 22 HIS HA H 3.865 0.02 1
229 22 22 HIS HB2 H 3.152 0.02 2
230 22 22 HIS HB3 H 3.266 0.02 2
231 22 22 HIS HD2 H 6.675 0.02 1
232 22 22 HIS HE1 H 7.751 0.02 1
233 22 22 HIS C C 176.479 0.4 1
234 22 22 HIS CA C 59.874 0.4 1
235 22 22 HIS CB C 30.121 0.4 1
236 22 22 HIS CE1 C 138.379 0.4 1
237 22 22 HIS N N 120.683 0.1 1
238 23 23 LEU H H 7.302 0.02 1
239 23 23 LEU HA H 3.892 0.02 1
240 23 23 LEU HB2 H 1.433 0.02 1
241 23 23 LEU HB3 H 1.433 0.02 1
242 23 23 LEU HG H 1.23 0.02 1
243 23 23 LEU HD1 H 0.444 0.02 2
244 23 23 LEU HD2 H 0.628 0.02 2
245 23 23 LEU C C 177.136 0.4 1
246 23 23 LEU CA C 54.974 0.4 1
247 23 23 LEU CB C 42.524 0.4 1
248 23 23 LEU CG C 26.55 0.4 1
249 23 23 LEU CD1 C 25.454 0.4 2
250 23 23 LEU CD2 C 22.242 0.4 2
251 23 23 LEU N N 115.983 0.1 1
252 24 24 ASN H H 7.3 0.02 1
253 24 24 ASN HA H 4.757 0.02 1
254 24 24 ASN HB2 H 2.86 0.02 2
255 24 24 ASN HB3 H 3.1 0.02 2
256 24 24 ASN HD21 H 6.978 0.02 2
257 24 24 ASN HD22 H 7.918 0.02 2
258 24 24 ASN CA C 50.698 0.4 1
259 24 24 ASN CB C 38.877 0.4 1
260 24 24 ASN N N 120.037 0.1 1
261 24 24 ASN ND2 N 112.844 0.1 1
262 25 25 PRO HA H 4.42 0.02 1
263 25 25 PRO HB2 H 1.926 0.02 2
264 25 25 PRO HB3 H 2.311 0.02 2
265 25 25 PRO HG2 H 1.994 0.02 1
266 25 25 PRO HG3 H 1.994 0.02 1
267 25 25 PRO HD2 H 3.895 0.02 2
268 25 25 PRO HD3 H 4.078 0.02 2
269 25 25 PRO C C 177.332 0.4 1
270 25 25 PRO CA C 64.531 0.4 1
271 25 25 PRO CB C 32.146 0.4 1
272 25 25 PRO CG C 27.1 0.4 1
273 25 25 PRO CD C 51.227 0.4 1
274 26 26 ASN H H 7.999 0.02 1
275 26 26 ASN HA H 4.816 0.02 1
276 26 26 ASN HB2 H 2.544 0.02 2
277 26 26 ASN HB3 H 2.891 0.02 2
278 26 26 ASN HD21 H 6.975 0.02 2
279 26 26 ASN HD22 H 7.639 0.02 2
280 26 26 ASN C C 175.357 0.4 1
281 26 26 ASN CA C 52.558 0.4 1
282 26 26 ASN CB C 39.12 0.4 1
283 26 26 ASN N N 115.359 0.1 1
284 26 26 ASN ND2 N 113.858 0.1 1
285 27 27 GLY H H 7.541 0.02 1
286 27 27 GLY HA2 H 3.891 0.02 1
287 27 27 GLY HA3 H 3.891 0.02 1
288 27 27 GLY C C 173.105 0.4 1
289 27 27 GLY CA C 44.761 0.4 1
290 27 27 GLY N N 107.959 0.1 1
291 28 28 HIS H H 8.588 0.02 1
292 28 28 HIS HA H 4.478 0.02 1
293 28 28 HIS HB2 H 2.718 0.02 2
294 28 28 HIS HB3 H 2.849 0.02 2
295 28 28 HIS HD2 H 6.943 0.02 1
296 28 28 HIS CA C 55.375 0.4 1
297 28 28 HIS CB C 29.733 0.4 1
298 28 28 HIS N N 118.544 0.1 1
299 29 29 HIS HA H 4.212 0.02 1
300 29 29 HIS HB2 H 3.144 0.02 2
301 29 29 HIS HB3 H 3.355 0.02 2
302 29 29 HIS HD2 H 6.93 0.02 1
303 29 29 HIS C C 173.68 0.4 1
304 29 29 HIS CA C 56.796 0.4 1
305 29 29 HIS CB C 28.195 0.4 1
306 30 30 PHE H H 7.53 0.02 1
307 30 30 PHE HA H 5.116 0.02 1
308 30 30 PHE HB2 H 2.886 0.02 2
309 30 30 PHE HB3 H 2.943 0.02 2
310 30 30 PHE HD1 H 6.956 0.02 1
311 30 30 PHE HD2 H 6.956 0.02 1
312 30 30 PHE HE1 H 7.216 0.02 1
313 30 30 PHE HE2 H 7.216 0.02 1
314 30 30 PHE HZ H 7.079 0.02 1
315 30 30 PHE C C 174.589 0.4 1
316 30 30 PHE CA C 55.863 0.4 1
317 30 30 PHE CB C 41.382 0.4 1
318 30 30 PHE CD1 C 132.514 0.4 1
319 30 30 PHE CD2 C 132.514 0.4 1
320 30 30 PHE CE1 C 131.498 0.4 1
321 30 30 PHE CE2 C 131.498 0.4 1
322 30 30 PHE CZ C 130.031 0.4 1
323 30 30 PHE N N 115.538 0.1 1
324 31 31 LEU H H 8.846 0.02 1
325 31 31 LEU HA H 5.138 0.02 1
326 31 31 LEU HB2 H 1.604 0.02 2
327 31 31 LEU HB3 H 1.718 0.02 2
328 31 31 LEU HG H 1.603 0.02 1
329 31 31 LEU HD1 H 0.768 0.02 2
330 31 31 LEU HD2 H 0.839 0.02 2
331 31 31 LEU C C 177.833 0.4 1
332 31 31 LEU CA C 53.811 0.4 1
333 31 31 LEU CB C 46.648 0.4 1
334 31 31 LEU CG C 27.365 0.4 1
335 31 31 LEU CD1 C 27.444 0.4 2
336 31 31 LEU CD2 C 23.627 0.4 2
337 31 31 LEU N N 119.697 0.1 1
338 32 32 THR H H 9.149 0.02 1
339 32 32 THR HA H 5.053 0.02 1
340 32 32 THR HB H 4.931 0.02 1
341 32 32 THR HG2 H 1.439 0.02 1
342 32 32 THR C C 175.427 0.4 1
343 32 32 THR CA C 61.211 0.4 1
344 32 32 THR CB C 71.218 0.4 1
345 32 32 THR CG2 C 21.946 0.4 1
346 32 32 THR N N 113.24 0.1 1
347 33 33 LYS H H 9.551 0.02 1
348 33 33 LYS HA H 3.862 0.02 1
349 33 33 LYS HB2 H 1.966 0.02 2
350 33 33 LYS HB3 H 2.203 0.02 2
351 33 33 LYS HG2 H 1.728 0.02 1
352 33 33 LYS HG3 H 1.728 0.02 1
353 33 33 LYS HD2 H 1.308 0.02 2
354 33 33 LYS HD3 H 1.385 0.02 2
355 33 33 LYS HE2 H 2.74 0.02 1
356 33 33 LYS HE3 H 2.74 0.02 1
357 33 33 LYS C C 177.939 0.4 1
358 33 33 LYS CA C 61.096 0.4 1
359 33 33 LYS CB C 32.687 0.4 1
360 33 33 LYS CG C 29.69 0.4 1
361 33 33 LYS CD C 25.703 0.4 1
362 33 33 LYS CE C 41.919 0.4 1
363 33 33 LYS N N 121.119 0.1 1
364 34 34 GLU H H 8.879 0.02 1
365 34 34 GLU HA H 3.962 0.02 1
366 34 34 GLU HB2 H 1.957 0.02 2
367 34 34 GLU HB3 H 2.109 0.02 2
368 34 34 GLU HG2 H 2.253 0.02 2
369 34 34 GLU HG3 H 2.464 0.02 2
370 34 34 GLU C C 179.68 0.4 1
371 34 34 GLU CA C 60.808 0.4 1
372 34 34 GLU CB C 28.953 0.4 1
373 34 34 GLU CG C 37.323 0.4 1
374 34 34 GLU N N 116.386 0.1 1
375 35 35 GLU H H 7.684 0.02 1
376 35 35 GLU HA H 4.061 0.02 1
377 35 35 GLU HB2 H 1.93 0.02 2
378 35 35 GLU HB3 H 2.355 0.02 2
379 35 35 GLU C C 179.293 0.4 1
380 35 35 GLU CB C 31.337 0.4 1
381 35 35 GLU N N 119.818 0.1 1
382 36 36 LEU H H 8.704 0.02 1
383 36 36 LEU HA H 3.964 0.02 1
384 36 36 LEU HB2 H 1.76 0.02 2
385 36 36 LEU HB3 H 1.948 0.02 2
386 36 36 LEU HG H 1.647 0.02 1
387 36 36 LEU HD1 H 0.614 0.02 2
388 36 36 LEU HD2 H 0.723 0.02 2
389 36 36 LEU C C 179.109 0.4 1
390 36 36 LEU CA C 58.688 0.4 1
391 36 36 LEU CB C 42.704 0.4 1
392 36 36 LEU CG C 27.278 0.4 1
393 36 36 LEU CD1 C 26.06 0.4 2
394 36 36 LEU CD2 C 24.913 0.4 2
395 36 36 LEU N N 120.572 0.1 1
396 37 37 LEU H H 8.808 0.02 1
397 37 37 LEU HA H 3.738 0.02 1
398 37 37 LEU HB2 H 1.425 0.02 2
399 37 37 LEU HB3 H 1.814 0.02 2
400 37 37 LEU HG H 1.637 0.02 1
401 37 37 LEU HD1 H 0.349 0.02 2
402 37 37 LEU HD2 H 0.634 0.02 2
403 37 37 LEU C C 179.754 0.4 1
404 37 37 LEU CA C 58.667 0.4 1
405 37 37 LEU CB C 41.654 0.4 1
406 37 37 LEU CG C 27.027 0.4 1
407 37 37 LEU CD1 C 23.38 0.4 2
408 37 37 LEU CD2 C 25.478 0.4 2
409 37 37 LEU N N 119.898 0.1 1
410 38 38 GLN H H 7.856 0.02 1
411 38 38 GLN HA H 4.031 0.02 1
412 38 38 GLN HB2 H 2.184 0.02 1
413 38 38 GLN HB3 H 2.184 0.02 1
414 38 38 GLN HG2 H 2.37 0.02 2
415 38 38 GLN HG3 H 2.504 0.02 2
416 38 38 GLN HE21 H 6.779 0.02 2
417 38 38 GLN HE22 H 7.424 0.02 2
418 38 38 GLN C C 179.419 0.4 1
419 38 38 GLN CA C 59.063 0.4 1
420 38 38 GLN CB C 28.443 0.4 1
421 38 38 GLN CG C 33.723 0.4 1
422 38 38 GLN N N 118.292 0.1 1
423 38 38 GLN NE2 N 111.576 0.1 1
424 39 39 ARG H H 8.162 0.02 1
425 39 39 ARG HA H 4.136 0.02 1
426 39 39 ARG HB2 H 1.97 0.02 1
427 39 39 ARG HB3 H 1.97 0.02 1
428 39 39 ARG HG2 H 1.826 0.02 2
429 39 39 ARG HG3 H 1.99 0.02 2
430 39 39 ARG HD2 H 2.874 0.02 2
431 39 39 ARG HD3 H 3.252 0.02 2
432 39 39 ARG C C 179.198 0.4 1
433 39 39 ARG CA C 58.658 0.4 1
434 39 39 ARG CB C 31.311 0.4 1
435 39 39 ARG CG C 28.017 0.4 1
436 39 39 ARG CD C 43.604 0.4 1
437 39 39 ARG N N 117.858 0.1 1
438 40 40 CYS H H 8.227 0.02 1
439 40 40 CYS HA H 4.125 0.02 1
440 40 40 CYS HB2 H 2.882 0.02 2
441 40 40 CYS HB3 H 3.034 0.02 2
442 40 40 CYS C C 175.19 0.4 1
443 40 40 CYS CA C 62.123 0.4 1
444 40 40 CYS CB C 27.51 0.4 1
445 40 40 CYS N N 116.269 0.1 1
446 41 41 ALA H H 7.787 0.02 1
447 41 41 ALA HA H 4.144 0.02 1
448 41 41 ALA HB H 1.399 0.02 1
449 41 41 ALA C C 178.121 0.4 1
450 41 41 ALA CA C 53.635 0.4 1
451 41 41 ALA CB C 18.034 0.4 1
452 41 41 ALA N N 122.023 0.1 1
453 42 42 GLN H H 7.764 0.02 1
454 42 42 GLN HA H 4.153 0.02 1
455 42 42 GLN HB2 H 1.899 0.02 2
456 42 42 GLN HB3 H 2.002 0.02 2
457 42 42 GLN HG2 H 2.237 0.02 1
458 42 42 GLN HG3 H 2.237 0.02 1
459 42 42 GLN HE21 H 6.816 0.02 2
460 42 42 GLN HE22 H 7.398 0.02 2
461 42 42 GLN CA C 56.528 0.4 1
462 42 42 GLN CB C 29.189 0.4 1
463 42 42 GLN CG C 33.849 0.4 1
464 42 42 GLN N N 116.595 0.1 1
465 42 42 GLN NE2 N 112.397 0.1 1
466 43 43 LYS HA H 4.293 0.02 1
467 43 43 LYS HB2 H 1.718 0.02 2
468 43 43 LYS HB3 H 1.848 0.02 2
469 43 43 LYS HG2 H 1.417 0.02 1
470 43 43 LYS HG3 H 1.417 0.02 1
471 43 43 LYS HD2 H 1.642 0.02 1
472 43 43 LYS HD3 H 1.642 0.02 1
473 43 43 LYS HE2 H 2.941 0.02 1
474 43 43 LYS HE3 H 2.941 0.02 1
475 43 43 LYS C C 176.375 0.4 1
476 43 43 LYS CA C 55.939 0.4 1
477 43 43 LYS CB C 32.915 0.4 1
478 43 43 LYS CG C 24.716 0.4 1
479 43 43 LYS CD C 28.583 0.4 1
480 43 43 LYS CE C 41.999 0.4 1
481 44 44 SER H H 8.01 0.02 1
482 44 44 SER HA H 4.704 0.02 1
483 44 44 SER HB2 H 3.752 0.02 1
484 44 44 SER HB3 H 3.752 0.02 1
485 44 44 SER CA C 55.959 0.4 1
486 44 44 SER CB C 63.729 0.4 1
487 44 44 SER N N 116.032 0.1 1
488 45 45 PRO HA H 4.432 0.02 1
489 45 45 PRO HB2 H 1.874 0.02 2
490 45 45 PRO HB3 H 2.261 0.02 2
491 45 45 PRO HG2 H 1.943 0.02 1
492 45 45 PRO HG3 H 1.943 0.02 1
493 45 45 PRO HD2 H 3.603 0.02 1
494 45 45 PRO HD3 H 3.603 0.02 1
495 45 45 PRO C C 176.989 0.4 1
496 45 45 PRO CA C 63.608 0.4 1
497 45 45 PRO CB C 32.168 0.4 1
498 45 45 PRO CG C 27.349 0.4 1
499 46 46 ARG H H 8.186 0.02 1
500 46 46 ARG HA H 4.259 0.02 1
501 46 46 ARG HB2 H 1.708 0.02 2
502 46 46 ARG HB3 H 1.795 0.02 2
503 46 46 ARG HG2 H 1.603 0.02 1
504 46 46 ARG HG3 H 1.603 0.02 1
505 46 46 ARG HD2 H 3.138 0.02 1
506 46 46 ARG HD3 H 3.138 0.02 1
507 46 46 ARG C C 176.301 0.4 1
508 46 46 ARG CA C 56.216 0.4 1
509 46 46 ARG CB C 30.457 0.4 1
510 46 46 ARG CG C 27.177 0.4 1
511 46 46 ARG CD C 43.251 0.4 1
512 46 46 ARG N N 119.451 0.1 1
513 47 47 VAL H H 7.898 0.02 1
514 47 47 VAL HA H 4.145 0.02 1
515 47 47 VAL HB H 2.049 0.02 1
516 47 47 VAL HG1 H 0.848 0.02 2
517 47 47 VAL HG2 H 0.845 0.02 2
518 47 47 VAL C C 175.221 0.4 1
519 47 47 VAL CA C 61.558 0.4 1
520 47 47 VAL CB C 33.088 0.4 1
521 47 47 VAL CG1 C 20.423 0.4 2
522 47 47 VAL CG2 C 21.464 0.4 2
523 47 47 VAL N N 120.314 0.1 1
524 48 48 ALA H H 8.15 0.02 1
525 48 48 ALA HA H 4.535 0.02 1
526 48 48 ALA HB H 1.279 0.02 1
527 48 48 ALA CA C 50.37 0.4 1
528 48 48 ALA CB C 18.358 0.4 1
529 48 48 ALA N N 127.994 0.1 1
530 49 49 PRO HA H 4.359 0.02 1
531 49 49 PRO HB2 H 1.909 0.02 2
532 49 49 PRO HB3 H 2.245 0.02 2
533 49 49 PRO HG2 H 1.903 0.02 2
534 49 49 PRO HG3 H 2.001 0.02 2
535 49 49 PRO HD2 H 3.554 0.02 2
536 49 49 PRO HD3 H 3.723 0.02 2
537 49 49 PRO CA C 63.812 0.4 1
538 49 49 PRO CB C 31.93 0.4 1
539 49 49 PRO CG C 27.515 0.4 1
540 49 49 PRO CD C 50.573 0.4 1
541 50 50 GLY HA2 H 3.538 0.02 1
542 50 50 GLY HA3 H 3.893 0.02 1
543 50 50 GLY CA C 43.102 0.4 1
544 51 51 SER HA H 4.416 0.02 1
545 51 51 SER HB2 H 3.751 0.02 2
546 51 51 SER HB3 H 3.827 0.02 2
547 51 51 SER CA C 58.707 0.4 1
548 51 51 SER CB C 64.171 0.4 1
549 52 52 ALA HA H 4.572 0.02 1
550 52 52 ALA HB H 1.346 0.02 1
551 52 52 ALA CA C 51.158 0.4 1
552 52 52 ALA CB C 18.37 0.4 1
553 53 53 PRO HA H 4.636 0.02 1
554 53 53 PRO HB2 H 1.696 0.02 2
555 53 53 PRO HB3 H 2.256 0.02 2
556 53 53 PRO HG2 H 1.956 0.02 1
557 53 53 PRO HG3 H 1.956 0.02 1
558 53 53 PRO HD2 H 3.547 0.02 2
559 53 53 PRO HD3 H 3.759 0.02 2
560 53 53 PRO CA C 61.759 0.4 1
561 53 53 PRO CB C 31.026 0.4 1
562 53 53 PRO CG C 27.49 0.4 1
563 53 53 PRO CD C 50.529 0.4 1
564 54 54 PRO HA H 4.517 0.02 1
565 54 54 PRO HB2 H 1.891 0.02 2
566 54 54 PRO HB3 H 2.172 0.02 2
567 54 54 PRO HG2 H 1.929 0.02 1
568 54 54 PRO HG3 H 1.929 0.02 1
569 54 54 PRO HD2 H 3.436 0.02 2
570 54 54 PRO HD3 H 3.732 0.02 2
571 54 54 PRO CA C 63.821 0.4 1
572 54 54 PRO CB C 31.871 0.4 1
573 54 54 PRO CG C 27.523 0.4 1
574 54 54 PRO CD C 50.457 0.4 1
575 55 55 TRP HA H 5.123 0.02 1
576 55 55 TRP HB2 H 3.133 0.02 2
577 55 55 TRP HB3 H 3.551 0.02 2
578 55 55 TRP HD1 H 7.275 0.02 1
579 55 55 TRP HE1 H 10.391 0.02 1
580 55 55 TRP HE3 H 7.285 0.02 1
581 55 55 TRP HZ2 H 7.367 0.02 1
582 55 55 TRP HZ3 H 6.776 0.02 1
583 55 55 TRP HH2 H 7.065 0.02 1
584 55 55 TRP CA C 55.867 0.4 1
585 55 55 TRP CB C 29.194 0.4 1
586 55 55 TRP CD1 C 124.731 0.4 1
587 55 55 TRP CE3 C 121.474 0.4 1
588 55 55 TRP CZ2 C 114.838 0.4 1
589 55 55 TRP CZ3 C 121.348 0.4 1
590 55 55 TRP CH2 C 124.768 0.4 1
591 55 55 TRP NE1 N 128.872 0.1 1
592 56 56 PRO HA H 4.141 0.02 1
593 56 56 PRO HB2 H 1.999 0.02 2
594 56 56 PRO HB3 H 2.391 0.02 2
595 56 56 PRO HG2 H 2.001 0.02 2
596 56 56 PRO HG3 H 2.246 0.02 2
597 56 56 PRO HD2 H 3.99 0.02 1
598 56 56 PRO HD3 H 3.99 0.02 1
599 56 56 PRO CA C 66.316 0.4 1
600 56 56 PRO CB C 32.144 0.4 1
601 56 56 PRO CG C 28.177 0.4 1
602 56 56 PRO CD C 50.617 0.4 1
603 57 57 ALA HA H 4.086 0.02 1
604 57 57 ALA HB H 1.168 0.02 1
605 57 57 ALA CA C 54.844 0.4 1
606 57 57 ALA CB C 18.5 0.4 1
607 58 58 LEU HA H 3.587 0.02 1
608 58 58 LEU HB2 H 0.509 0.02 2
609 58 58 LEU HB3 H 1.724 0.02 2
610 58 58 LEU HG H 1.251 0.02 1
611 58 58 LEU HD1 H 0.373 0.02 2
612 58 58 LEU HD2 H 0.38 0.02 2
613 58 58 LEU C C 178.091 0.4 1
614 58 58 LEU CA C 57.45 0.4 1
615 58 58 LEU CB C 41.396 0.4 1
616 58 58 LEU CG C 26.767 0.4 1
617 58 58 LEU CD1 C 25.209 0.4 2
618 58 58 LEU CD2 C 22.335 0.4 2
619 59 59 ARG H H 7.794 0.02 1
620 59 59 ARG HA H 3.8 0.02 1
621 59 59 ARG HB2 H 1.822 0.02 1
622 59 59 ARG HB3 H 1.822 0.02 1
623 59 59 ARG HG2 H 1.461 0.02 2
624 59 59 ARG HG3 H 1.658 0.02 2
625 59 59 ARG HD2 H 3.15 0.02 1
626 59 59 ARG HD3 H 3.15 0.02 1
627 59 59 ARG C C 179.057 0.4 1
628 59 59 ARG CA C 59.703 0.4 1
629 59 59 ARG CB C 29.563 0.4 1
630 59 59 ARG CG C 27.457 0.4 1
631 59 59 ARG CD C 43.483 0.4 1
632 59 59 ARG N N 117.459 0.1 1
633 60 60 SER H H 8.074 0.02 1
634 60 60 SER HA H 4.212 0.02 1
635 60 60 SER HB2 H 3.945 0.02 1
636 60 60 SER HB3 H 3.945 0.02 1
637 60 60 SER C C 176.474 0.4 1
638 60 60 SER CA C 61.594 0.4 1
639 60 60 SER CB C 62.809 0.4 1
640 60 60 SER N N 114.743 0.1 1
641 61 61 LEU H H 7.55 0.02 1
642 61 61 LEU HA H 3.925 0.02 1
643 61 61 LEU HB2 H 1.206 0.02 2
644 61 61 LEU HB3 H 1.98 0.02 2
645 61 61 LEU HG H 1.991 0.02 1
646 61 61 LEU HD1 H 0.841 0.02 2
647 61 61 LEU HD2 H 0.875 0.02 2
648 61 61 LEU C C 180.131 0.4 1
649 61 61 LEU CA C 57.855 0.4 1
650 61 61 LEU CB C 42.672 0.4 1
651 61 61 LEU CG C 26.221 0.4 1
652 61 61 LEU CD1 C 27.056 0.4 2
653 61 61 LEU CD2 C 24.254 0.4 2
654 61 61 LEU N N 120.984 0.1 1
655 62 62 LEU H H 8.157 0.02 1
656 62 62 LEU HA H 4.461 0.02 1
657 62 62 LEU HB2 H 1.614 0.02 2
658 62 62 LEU HB3 H 1.949 0.02 2
659 62 62 LEU HG H 1.712 0.02 1
660 62 62 LEU HD1 H 0.934 0.02 2
661 62 62 LEU HD2 H 0.968 0.02 2
662 62 62 LEU C C 181.779 0.4 1
663 62 62 LEU CA C 57.901 0.4 1
664 62 62 LEU CB C 41.753 0.4 1
665 62 62 LEU CG C 27.205 0.4 1
666 62 62 LEU CD1 C 24.286 0.4 2
667 62 62 LEU CD2 C 26.653 0.4 2
668 62 62 LEU N N 121.536 0.1 1
669 63 63 HIS H H 8.325 0.02 1
670 63 63 HIS HA H 4.398 0.02 1
671 63 63 HIS HB2 H 3.247 0.02 1
672 63 63 HIS HB3 H 3.247 0.02 1
673 63 63 HIS HD2 H 6.982 0.02 1
674 63 63 HIS C C 177.286 0.4 1
675 63 63 HIS CA C 58.716 0.4 1
676 63 63 HIS CB C 30.127 0.4 1
677 63 63 HIS N N 121.117 0.1 1
678 64 64 ARG H H 7.477 0.02 1
679 64 64 ARG HA H 4.132 0.02 1
680 64 64 ARG HB2 H 1.322 0.02 2
681 64 64 ARG HB3 H 1.885 0.02 2
682 64 64 ARG HG2 H 1.448 0.02 2
683 64 64 ARG HG3 H 1.678 0.02 2
684 64 64 ARG HD2 H 2.294 0.02 1
685 64 64 ARG HD3 H 2.294 0.02 1
686 64 64 ARG C C 175.029 0.4 1
687 64 64 ARG CA C 56.183 0.4 1
688 64 64 ARG CB C 31.34 0.4 1
689 64 64 ARG CG C 28.83 0.4 1
690 64 64 ARG CD C 42.998 0.4 1
691 64 64 ARG N N 115.154 0.1 1
692 65 65 ASN H H 8.1 0.02 1
693 65 65 ASN HA H 4.392 0.02 1
694 65 65 ASN HB2 H 2.768 0.02 2
695 65 65 ASN HB3 H 3.135 0.02 2
696 65 65 ASN HD21 H 6.704 0.02 2
697 65 65 ASN HD22 H 7.554 0.02 2
698 65 65 ASN C C 174.887 0.4 1
699 65 65 ASN CA C 54.887 0.4 1
700 65 65 ASN CB C 37.303 0.4 1
701 65 65 ASN N N 114.655 0.1 1
702 65 65 ASN ND2 N 112.714 0.1 1
703 66 66 LEU H H 8.089 0.02 1
704 66 66 LEU HA H 4.194 0.02 1
705 66 66 LEU HB2 H 1.378 0.02 2
706 66 66 LEU HB3 H 1.708 0.02 2
707 66 66 LEU HG H 1.581 0.02 1
708 66 66 LEU HD1 H 0.723 0.02 2
709 66 66 LEU HD2 H 0.887 0.02 2
710 66 66 LEU C C 175.408 0.4 1
711 66 66 LEU CA C 55.857 0.4 1
712 66 66 LEU CB C 43.676 0.4 1
713 66 66 LEU CG C 27.251 0.4 1
714 66 66 LEU CD1 C 21.727 0.4 2
715 66 66 LEU CD2 C 27.364 0.4 2
716 66 66 LEU N N 116.396 0.1 1
717 67 67 VAL H H 6.967 0.02 1
718 67 67 VAL HA H 4.778 0.02 1
719 67 67 VAL HB H 1.459 0.02 1
720 67 67 VAL HG1 H 0.702 0.02 2
721 67 67 VAL HG2 H 0.998 0.02 2
722 67 67 VAL C C 172.609 0.4 1
723 67 67 VAL CA C 59.231 0.4 1
724 67 67 VAL CB C 36.319 0.4 1
725 67 67 VAL CG1 C 23.738 0.4 2
726 67 67 VAL CG2 C 22.531 0.4 2
727 67 67 VAL N N 116.636 0.1 1
728 68 68 LEU H H 9.422 0.02 1
729 68 68 LEU HA H 4.527 0.02 1
730 68 68 LEU HB2 H 1.262 0.02 2
731 68 68 LEU HB3 H 1.678 0.02 2
732 68 68 LEU HG H 1.37 0.02 1
733 68 68 LEU HD1 H 0.759 0.02 2
734 68 68 LEU HD2 H 0.859 0.02 2
735 68 68 LEU C C 174.353 0.4 1
736 68 68 LEU CA C 53.597 0.4 1
737 68 68 LEU CB C 45.433 0.4 1
738 68 68 LEU CG C 26.809 0.4 1
739 68 68 LEU CD1 C 25.827 0.4 2
740 68 68 LEU CD2 C 24.118 0.4 2
741 68 68 LEU N N 128.121 0.1 1
742 69 69 ARG H H 8.393 0.02 1
743 69 69 ARG HA H 5.156 0.02 1
744 69 69 ARG HB2 H 1.457 0.02 2
745 69 69 ARG HB3 H 1.669 0.02 2
746 69 69 ARG HG2 H 1.233 0.02 1
747 69 69 ARG HG3 H 1.233 0.02 1
748 69 69 ARG HD2 H 2.994 0.02 2
749 69 69 ARG HD3 H 3.083 0.02 2
750 69 69 ARG C C 175.848 0.4 1
751 69 69 ARG CA C 53.854 0.4 1
752 69 69 ARG CB C 32.405 0.4 1
753 69 69 ARG CG C 26.875 0.4 1
754 69 69 ARG CD C 43.61 0.4 1
755 69 69 ARG N N 124.575 0.1 1
756 70 70 THR H H 8.58 0.02 1
757 70 70 THR HA H 4.478 0.02 1
758 70 70 THR HB H 4.068 0.02 1
759 70 70 THR HG2 H 1.013 0.02 1
760 70 70 THR C C 173.061 0.4 1
761 70 70 THR CA C 60.672 0.4 1
762 70 70 THR CB C 71.428 0.4 1
763 70 70 THR CG2 C 21.291 0.4 1
764 70 70 THR N N 118.544 0.1 1
765 71 71 HIS H H 8.106 0.02 1
766 71 71 HIS HA H 4 0.02 1
767 71 71 HIS HB2 H 3.045 0.02 2
768 71 71 HIS HB3 H 3.32 0.02 2
769 71 71 HIS HD2 H 6.925 0.02 1
770 71 71 HIS C C 173.904 0.4 1
771 71 71 HIS CA C 59.085 0.4 1
772 71 71 HIS CB C 30.681 0.4 1
773 71 71 HIS N N 112.22 0.1 1
774 72 72 GLN H H 7.687 0.02 1
775 72 72 GLN HA H 4.228 0.02 1
776 72 72 GLN HB2 H 1.876 0.02 1
777 72 72 GLN HB3 H 1.876 0.02 1
778 72 72 GLN HG2 H 2.221 0.02 1
779 72 72 GLN HG3 H 2.221 0.02 1
780 72 72 GLN HE21 H 6.824 0.02 2
781 72 72 GLN HE22 H 7.482 0.02 2
782 72 72 GLN CA C 53.871 0.4 1
783 72 72 GLN CB C 30.943 0.4 1
784 72 72 GLN CG C 33.497 0.4 1
785 72 72 GLN N N 117.578 0.1 1
786 72 72 GLN NE2 N 112.152 0.1 1
787 73 73 PRO HA H 4.621 0.02 1
788 73 73 PRO HB2 H 2.018 0.02 2
789 73 73 PRO HB3 H 2.498 0.02 2
790 73 73 PRO HG2 H 1.902 0.02 1
791 73 73 PRO HG3 H 1.902 0.02 1
792 73 73 PRO HD2 H 3.534 0.02 1
793 73 73 PRO HD3 H 3.534 0.02 1
794 73 73 PRO C C 175.492 0.4 1
795 73 73 PRO CA C 63.126 0.4 1
796 73 73 PRO CB C 34.716 0.4 1
797 73 73 PRO CG C 25.646 0.4 1
798 73 73 PRO CD C 50.682 0.4 1
799 74 74 ALA H H 8.299 0.02 1
800 74 74 ALA HA H 4.083 0.02 1
801 74 74 ALA HB H 1.185 0.02 1
802 74 74 ALA C C 177.063 0.4 1
803 74 74 ALA CA C 53.376 0.4 1
804 74 74 ALA CB C 19.891 0.4 1
805 74 74 ALA N N 122.849 0.1 1
806 75 75 ARG H H 8.818 0.02 1
807 75 75 ARG HA H 4.468 0.02 1
808 75 75 ARG HB2 H 1.103 0.02 2
809 75 75 ARG HB3 H 1.418 0.02 2
810 75 75 ARG HG2 H 1.424 0.02 1
811 75 75 ARG HG3 H 1.424 0.02 1
812 75 75 ARG HD2 H 1.492 0.02 2
813 75 75 ARG HD3 H 1.909 0.02 2
814 75 75 ARG C C 175.106 0.4 1
815 75 75 ARG CA C 54.353 0.4 1
816 75 75 ARG CB C 33.496 0.4 1
817 75 75 ARG CG C 26.82 0.4 1
818 75 75 ARG CD C 43.004 0.4 1
819 75 75 ARG N N 120.422 0.1 1
820 76 76 TYR H H 9.286 0.02 1
821 76 76 TYR HA H 5.626 0.02 1
822 76 76 TYR HB2 H 2.68 0.02 2
823 76 76 TYR HB3 H 2.83 0.02 2
824 76 76 TYR HD1 H 7.055 0.02 1
825 76 76 TYR HD2 H 7.055 0.02 1
826 76 76 TYR HE1 H 6.628 0.02 1
827 76 76 TYR HE2 H 6.628 0.02 1
828 76 76 TYR C C 174.859 0.4 1
829 76 76 TYR CA C 57.678 0.4 1
830 76 76 TYR CB C 41.085 0.4 1
831 76 76 TYR CD1 C 133.197 0.4 1
832 76 76 TYR CD2 C 133.197 0.4 1
833 76 76 TYR CE1 C 117.286 0.4 1
834 76 76 TYR CE2 C 117.286 0.4 1
835 76 76 TYR N N 120.598 0.1 1
836 77 77 SER H H 8.613 0.02 1
837 77 77 SER HA H 4.896 0.02 1
838 77 77 SER HB2 H 3.904 0.02 1
839 77 77 SER HB3 H 3.904 0.02 1
840 77 77 SER C C 173.56 0.4 1
841 77 77 SER CA C 57.061 0.4 1
842 77 77 SER CB C 65.956 0.4 1
843 77 77 SER N N 112.804 0.1 1
844 78 78 LEU H H 9.498 0.02 1
845 78 78 LEU HA H 4.841 0.02 1
846 78 78 LEU HB2 H 1.447 0.02 2
847 78 78 LEU HB3 H 1.623 0.02 2
848 78 78 LEU HG H 1.944 0.02 1
849 78 78 LEU HD1 H 0.756 0.02 2
850 78 78 LEU HD2 H 0.881 0.02 2
851 78 78 LEU C C 179.011 0.4 1
852 78 78 LEU CA C 55.363 0.4 1
853 78 78 LEU CB C 42.942 0.4 1
854 78 78 LEU CG C 27.49 0.4 1
855 78 78 LEU CD1 C 25.34 0.4 2
856 78 78 LEU CD2 C 24.655 0.4 2
857 78 78 LEU N N 120.882 0.1 1
858 79 79 THR H H 7.306 0.02 1
859 79 79 THR HA H 4.552 0.02 1
860 79 79 THR HB H 4.846 0.02 1
861 79 79 THR HG2 H 0.998 0.02 1
862 79 79 THR CA C 60.061 0.4 1
863 79 79 THR CB C 68.204 0.4 1
864 79 79 THR CG2 C 22.522 0.4 1
865 79 79 THR N N 112.454 0.1 1
866 80 80 PRO HA H 4.179 0.02 1
867 80 80 PRO HB2 H 1.961 0.02 2
868 80 80 PRO HB3 H 2.388 0.02 2
869 80 80 PRO HG2 H 1.989 0.02 2
870 80 80 PRO HG3 H 2.256 0.02 2
871 80 80 PRO HD2 H 3.905 0.02 1
872 80 80 PRO HD3 H 3.905 0.02 1
873 80 80 PRO C C 179.638 0.4 1
874 80 80 PRO CA C 66.894 0.4 1
875 80 80 PRO CB C 31.593 0.4 1
876 80 80 PRO CG C 28.457 0.4 1
877 80 80 PRO CD C 50.26 0.4 1
878 81 81 GLU H H 8.971 0.02 1
879 81 81 GLU HA H 4.085 0.02 1
880 81 81 GLU HB2 H 1.853 0.02 2
881 81 81 GLU HB3 H 2.087 0.02 2
882 81 81 GLU HG2 H 2.314 0.02 2
883 81 81 GLU HG3 H 2.406 0.02 2
884 81 81 GLU C C 180.24 0.4 1
885 81 81 GLU CA C 60.296 0.4 1
886 81 81 GLU CB C 29.567 0.4 1
887 81 81 GLU CG C 37.454 0.4 1
888 81 81 GLU N N 118.331 0.1 1
889 82 82 GLY H H 8.292 0.02 1
890 82 82 GLY HA2 H 3.71 0.02 1
891 82 82 GLY HA3 H 4.639 0.02 1
892 82 82 GLY C C 175.2 0.4 1
893 82 82 GLY CA C 48.186 0.4 1
894 82 82 GLY N N 111.501 0.1 1
895 83 83 LEU H H 8.907 0.02 1
896 83 83 LEU HA H 3.916 0.02 1
897 83 83 LEU HB2 H 1.445 0.02 2
898 83 83 LEU HB3 H 1.711 0.02 2
899 83 83 LEU HG H 1.437 0.02 1
900 83 83 LEU HD1 H 0.606 0.02 2
901 83 83 LEU HD2 H 0.616 0.02 2
902 83 83 LEU C C 178.524 0.4 1
903 83 83 LEU CA C 58.449 0.4 1
904 83 83 LEU CB C 41.842 0.4 1
905 83 83 LEU CG C 27.078 0.4 1
906 83 83 LEU CD1 C 24.136 0.4 2
907 83 83 LEU CD2 C 24.832 0.4 2
908 83 83 LEU N N 123.737 0.1 1
909 84 84 GLU H H 7.682 0.02 1
910 84 84 GLU HA H 3.976 0.02 1
911 84 84 GLU HB2 H 2.089 0.02 1
912 84 84 GLU HB3 H 2.089 0.02 1
913 84 84 GLU HG2 H 2.192 0.02 2
914 84 84 GLU HG3 H 2.386 0.02 2
915 84 84 GLU C C 179.139 0.4 1
916 84 84 GLU CA C 59.52 0.4 1
917 84 84 GLU CB C 29.625 0.4 1
918 84 84 GLU CG C 36.492 0.4 1
919 84 84 GLU N N 118.89 0.1 1
920 85 85 LEU H H 7.611 0.02 1
921 85 85 LEU HA H 4.262 0.02 1
922 85 85 LEU HB2 H 1.711 0.02 2
923 85 85 LEU HB3 H 1.854 0.02 2
924 85 85 LEU HG H 1.357 0.02 1
925 85 85 LEU HD1 H 0.927 0.02 2
926 85 85 LEU HD2 H 1.115 0.02 2
927 85 85 LEU C C 178.299 0.4 1
928 85 85 LEU CA C 57.851 0.4 1
929 85 85 LEU CB C 41.815 0.4 1
930 85 85 LEU CG C 27.702 0.4 1
931 85 85 LEU CD1 C 27.931 0.4 2
932 85 85 LEU CD2 C 23.118 0.4 2
933 85 85 LEU N N 119.369 0.1 1
934 86 86 ALA H H 8.99 0.02 1
935 86 86 ALA HA H 3.558 0.02 1
936 86 86 ALA HB H 1.146 0.02 1
937 86 86 ALA C C 178.256 0.4 1
938 86 86 ALA CA C 55.676 0.4 1
939 86 86 ALA CB C 18.94 0.4 1
940 86 86 ALA N N 121.268 0.1 1
941 87 87 GLN H H 7.866 0.02 1
942 87 87 GLN HA H 3.375 0.02 1
943 87 87 GLN HB2 H 2.025 0.02 2
944 87 87 GLN HB3 H 2.089 0.02 2
945 87 87 GLN HG2 H 2.328 0.02 2
946 87 87 GLN HG3 H 2.428 0.02 2
947 87 87 GLN HE21 H 6.831 0.02 2
948 87 87 GLN HE22 H 7.576 0.02 2
949 87 87 GLN C C 178.54 0.4 1
950 87 87 GLN CA C 59.388 0.4 1
951 87 87 GLN CB C 28.09 0.4 1
952 87 87 GLN CG C 33.734 0.4 1
953 87 87 GLN N N 115.754 0.1 1
954 87 87 GLN NE2 N 111.792 0.1 1
955 88 88 LYS H H 7.348 0.02 1
956 88 88 LYS HA H 4.165 0.02 1
957 88 88 LYS HB2 H 2.155 0.02 2
958 88 88 LYS HB3 H 2.274 0.02 2
959 88 88 LYS HG2 H 1.625 0.02 2
960 88 88 LYS HG3 H 1.812 0.02 2
961 88 88 LYS HD2 H 1.786 0.02 1
962 88 88 LYS HD3 H 1.786 0.02 1
963 88 88 LYS HE2 H 2.974 0.02 1
964 88 88 LYS HE3 H 2.974 0.02 1
965 88 88 LYS C C 180.95 0.4 1
966 88 88 LYS CA C 59.327 0.4 1
967 88 88 LYS CB C 32.853 0.4 1
968 88 88 LYS CG C 25.621 0.4 1
969 88 88 LYS CD C 29.266 0.4 1
970 88 88 LYS CE C 42.144 0.4 1
971 88 88 LYS N N 119.144 0.1 1
972 89 89 LEU H H 8.649 0.02 1
973 89 89 LEU HA H 3.806 0.02 1
974 89 89 LEU HB2 H 0.787 0.02 2
975 89 89 LEU HB3 H 1.773 0.02 2
976 89 89 LEU HG H 1.295 0.02 1
977 89 89 LEU HD1 H -0.447 0.02 2
978 89 89 LEU HD2 H 0.382 0.02 2
979 89 89 LEU C C 179.379 0.4 1
980 89 89 LEU CA C 57.619 0.4 1
981 89 89 LEU CB C 42.35 0.4 1
982 89 89 LEU CG C 25.856 0.4 1
983 89 89 LEU CD1 C 21.176 0.4 2
984 89 89 LEU CD2 C 27.851 0.4 2
985 89 89 LEU N N 122.67 0.1 1
986 90 90 ALA H H 8.719 0.02 1
987 90 90 ALA HA H 3.801 0.02 1
988 90 90 ALA HB H 1.398 0.02 1
989 90 90 ALA C C 180.589 0.4 1
990 90 90 ALA CA C 55.473 0.4 1
991 90 90 ALA CB C 18.244 0.4 1
992 90 90 ALA N N 123.29 0.1 1
993 91 91 GLU H H 8.158 0.02 1
994 91 91 GLU HA H 4.107 0.02 1
995 91 91 GLU HB2 H 2.146 0.02 1
996 91 91 GLU HB3 H 2.146 0.02 1
997 91 91 GLU HG2 H 2.282 0.02 2
998 91 91 GLU HG3 H 2.518 0.02 2
999 91 91 GLU C C 179.853 0.4 1
1000 91 91 GLU CA C 59.185 0.4 1
1001 91 91 GLU CB C 29.568 0.4 1
1002 91 91 GLU CG C 36.667 0.4 1
1003 91 91 GLU N N 118.679 0.1 1
1004 92 92 SER H H 8.014 0.02 1
1005 92 92 SER HA H 4.383 0.02 1
1006 92 92 SER HB2 H 4.294 0.02 1
1007 92 92 SER HB3 H 4.294 0.02 1
1008 92 92 SER C C 176.339 0.4 1
1009 92 92 SER CA C 61.131 0.4 1
1010 92 92 SER CB C 63.419 0.4 1
1011 92 92 SER N N 115.658 0.1 1
1012 93 93 GLU H H 7.735 0.02 1
1013 93 93 GLU HA H 4.299 0.02 1
1014 93 93 GLU HB2 H 1.895 0.02 2
1015 93 93 GLU HB3 H 2.248 0.02 2
1016 93 93 GLU HG2 H 2.13 0.02 2
1017 93 93 GLU HG3 H 2.286 0.02 2
1018 93 93 GLU C C 177.272 0.4 1
1019 93 93 GLU CA C 57.256 0.4 1
1020 93 93 GLU CB C 30.341 0.4 1
1021 93 93 GLU CG C 36.467 0.4 1
1022 93 93 GLU N N 119.684 0.1 1
1023 94 94 GLY H H 7.893 0.02 1
1024 94 94 GLY HA2 H 3.892 0.02 1
1025 94 94 GLY HA3 H 4.043 0.02 1
1026 94 94 GLY C C 175.072 0.4 1
1027 94 94 GLY CA C 46.094 0.4 1
1028 94 94 GLY N N 108.354 0.1 1
1029 95 95 LEU H H 7.991 0.02 1
1030 95 95 LEU HA H 4.33 0.02 1
1031 95 95 LEU HB2 H 1.624 0.02 1
1032 95 95 LEU HB3 H 1.624 0.02 1
1033 95 95 LEU HD1 H 0.892 0.02 2
1034 95 95 LEU HD2 H 0.928 0.02 2
1035 95 95 LEU C C 177.445 0.4 1
1036 95 95 LEU CA C 55.421 0.4 1
1037 95 95 LEU CB C 42.469 0.4 1
1038 95 95 LEU CD1 C 25.535 0.4 2
1039 95 95 LEU CD2 C 25.362 0.4 2
1040 95 95 LEU N N 121.009 0.1 1
1041 96 96 SER H H 8.34 0.02 1
1042 96 96 SER HA H 4.458 0.02 1
1043 96 96 SER HB2 H 3.871 0.02 1
1044 96 96 SER HB3 H 3.871 0.02 1
1045 96 96 SER C C 175.071 0.4 1
1046 96 96 SER CA C 58.366 0.4 1
1047 96 96 SER CB C 63.901 0.4 1
1048 96 96 SER N N 116.965 0.1 1
1049 97 97 LEU H H 8.287 0.02 1
1050 97 97 LEU HA H 4.32 0.02 1
1051 97 97 LEU HB2 H 1.604 0.02 1
1052 97 97 LEU HB3 H 1.604 0.02 1
1053 97 97 LEU HD1 H 0.878 0.02 2
1054 97 97 LEU HD2 H 0.901 0.02 2
1055 97 97 LEU C C 177.317 0.4 1
1056 97 97 LEU CA C 55.428 0.4 1
1057 97 97 LEU CB C 42.155 0.4 1
1058 97 97 LEU CD1 C 23.62 0.4 2
1059 97 97 LEU CD2 C 25.536 0.4 2
1060 97 97 LEU N N 123.829 0.1 1
1061 98 98 LEU H H 7.902 0.02 1
1062 98 98 LEU HA H 4.261 0.02 1
1063 98 98 LEU HB2 H 1.597 0.02 1
1064 98 98 LEU HB3 H 1.597 0.02 1
1065 98 98 LEU HG H 1.374 0.02 1
1066 98 98 LEU HD1 H 0.831 0.02 2
1067 98 98 LEU HD2 H 0.891 0.02 2
1068 98 98 LEU C C 177.204 0.4 1
1069 98 98 LEU CA C 55.507 0.4 1
1070 98 98 LEU CB C 42.465 0.4 1
1071 98 98 LEU CG C 27.12 0.4 1
1072 98 98 LEU CD1 C 23.665 0.4 2
1073 98 98 LEU CD2 C 25.029 0.4 2
1074 98 98 LEU N N 120.316 0.1 1
1075 99 99 ASN H H 8.264 0.02 1
1076 99 99 ASN HA H 4.703 0.02 1
1077 99 99 ASN HB2 H 2.733 0.02 2
1078 99 99 ASN HB3 H 2.838 0.02 2
1079 99 99 ASN HD21 H 7.17 0.02 2
1080 99 99 ASN HD22 H 7.568 0.02 2
1081 99 99 ASN C C 175.236 0.4 1
1082 99 99 ASN CA C 53.234 0.4 1
1083 99 99 ASN CB C 38.736 0.4 1
1084 99 99 ASN N N 118.71 0.1 1
1085 99 99 ASN ND2 N 112.68 0.1 1
1086 100 100 VAL H H 7.921 0.02 1
1087 100 100 VAL HA H 4.119 0.02 1
1088 100 100 VAL HB H 2.122 0.02 1
1089 100 100 VAL HG1 H 0.909 0.02 2
1090 100 100 VAL HG2 H 0.91 0.02 2
1091 100 100 VAL C C 176.604 0.4 1
1092 100 100 VAL CA C 62.487 0.4 1
1093 100 100 VAL CB C 32.665 0.4 1
1094 100 100 VAL CG1 C 20.515 0.4 2
1095 100 100 VAL CG2 C 21.346 0.4 2
1096 100 100 VAL N N 119.241 0.1 1
1097 101 101 GLY H H 8.413 0.02 1
1098 101 101 GLY HA2 H 3.932 0.02 1
1099 101 101 GLY HA3 H 3.932 0.02 1
1100 101 101 GLY C C 174.045 0.4 1
1101 101 101 GLY CA C 45.288 0.4 1
1102 101 101 GLY N N 112.021 0.1 1
1103 102 102 ILE H H 7.895 0.02 1
1104 102 102 ILE HA H 4.222 0.02 1
1105 102 102 ILE HB H 1.872 0.02 1
1106 102 102 ILE HG12 H 1.11 0.02 2
1107 102 102 ILE HG13 H 1.409 0.02 2
1108 102 102 ILE HG2 H 0.882 0.02 1
1109 102 102 ILE HD1 H 0.826 0.02 1
1110 102 102 ILE C C 175.843 0.4 1
1111 102 102 ILE CA C 61.074 0.4 1
1112 102 102 ILE CB C 39.117 0.4 1
1113 102 102 ILE CG1 C 27.107 0.4 1
1114 102 102 ILE CG2 C 17.698 0.4 1
1115 102 102 ILE CD1 C 13.254 0.4 1
1116 102 102 ILE N N 119.497 0.1 1
1117 103 103 GLY H H 8.038 0.02 1
1118 103 103 GLY HA2 H 3.728 0.02 1
1119 103 103 GLY HA3 H 3.728 0.02 1
1120 103 103 GLY CA C 46.108 0.4 1
1121 103 103 GLY N N 118.913 0.1 1
stop_
save_