data_4796
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of hypothetical protein MTH1175 from Methanobacterium
thermoautotrophicum
;
_BMRB_accession_number 4796
_BMRB_flat_file_name bmr4796.str
_Entry_type original
_Submission_date 2000-07-26
_Accession_date 2000-07-26
_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 Cort J. R. .
2 Yee A. . .
3 Edwards A. M. .
4 Arrowsmith C. H. .
5 Kennedy M. A. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 506
"13C chemical shifts" 435
"15N chemical shifts" 122
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2002-01-23 original author .
stop_
_Original_release_date 2002-01-23
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
NMR Structure Determination and Structure-Based Functional Classification of
Conserved Hypothetical Protein MTH1175 from Methanobacterium
thermoautotrophicum
;
_Citation_status published
_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 Cort J. R. .
2 Yee A. . .
3 Edwards A. M. .
4 Arrowsmith C. H. .
5 Kennedy M. A. .
stop_
_Journal_abbreviation 'J. Struct. Funct. Gen.'
_Journal_volume 1
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 15
_Page_last 25
_Year 2000
_Details .
loop_
_Keyword
'Ribonuclease H fold'
'mixed a/b protein'
'mixed beta sheet'
'strand order 321456'
'strands 2 and 6 antiparallel to rest'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_MTH1175
_Saveframe_category molecular_system
_Mol_system_name 'HYPOTHETICAL PROTEIN MTH1175'
_Abbreviation_common MTH1175
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
MTH1175 $MTH1175
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_MTH1175
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'HYPOTHETICAL PROTEIN MTH1175'
_Abbreviation_common MTH1175
_Molecular_mass 15323
_Mol_thiol_state 'not present'
_Details
;
The quoted molecular mass includes the 20 residue N-terminal tag seqeunce.
The protein studied has a 20 residue N-terminal tag, MGSSHHHHHHSSGLVPRGSH, for
purification purposes. The tag does not appear to influcence the structure, on the
basis of the appearance of 1H-15N HSQC spectra of the protein with the tag versus
spectra of the protein with the tag removed by trypsin cleavage
;
##############################
# Polymer residue sequence #
##############################
_Residue_count 144
_Mol_residue_sequence
;
MGSSHHHHHHSSGLVPRGSH
MKIAIASSGTDLGSEVSRFF
GRAPYFMIVEMKKGNIESSE
VIENPSASASGGAGIRTAQI
IANNGVKAVIASSPGPNAFE
VLNELGIKIYRATGTSVEEN
LKLFTEGNLEEIRSPGSGRG
RRRR
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLY 3 SER 4 SER 5 HIS
6 HIS 7 HIS 8 HIS 9 HIS 10 HIS
11 SER 12 SER 13 GLY 14 LEU 15 VAL
16 PRO 17 ARG 18 GLY 19 SER 20 HIS
21 MET 22 LYS 23 ILE 24 ALA 25 ILE
26 ALA 27 SER 28 SER 29 GLY 30 THR
31 ASP 32 LEU 33 GLY 34 SER 35 GLU
36 VAL 37 SER 38 ARG 39 PHE 40 PHE
41 GLY 42 ARG 43 ALA 44 PRO 45 TYR
46 PHE 47 MET 48 ILE 49 VAL 50 GLU
51 MET 52 LYS 53 LYS 54 GLY 55 ASN
56 ILE 57 GLU 58 SER 59 SER 60 GLU
61 VAL 62 ILE 63 GLU 64 ASN 65 PRO
66 SER 67 ALA 68 SER 69 ALA 70 SER
71 GLY 72 GLY 73 ALA 74 GLY 75 ILE
76 ARG 77 THR 78 ALA 79 GLN 80 ILE
81 ILE 82 ALA 83 ASN 84 ASN 85 GLY
86 VAL 87 LYS 88 ALA 89 VAL 90 ILE
91 ALA 92 SER 93 SER 94 PRO 95 GLY
96 PRO 97 ASN 98 ALA 99 PHE 100 GLU
101 VAL 102 LEU 103 ASN 104 GLU 105 LEU
106 GLY 107 ILE 108 LYS 109 ILE 110 TYR
111 ARG 112 ALA 113 THR 114 GLY 115 THR
116 SER 117 VAL 118 GLU 119 GLU 120 ASN
121 LEU 122 LYS 123 LEU 124 PHE 125 THR
126 GLU 127 GLY 128 ASN 129 LEU 130 GLU
131 GLU 132 ILE 133 ARG 134 SER 135 PRO
136 GLY 137 SER 138 GLY 139 ARG 140 GLY
141 ARG 142 ARG 143 ARG 144 ARG
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-03-03
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 1EO1 "Solution Structure Of Hypothetical Protein Mth1175 From Methanobacterium Thermoautotrophicum" 86.11 124 100.00 100.00 2.41e-80
GB AAB85664 "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" 86.11 124 100.00 100.00 2.41e-80
REF NP_276303 "hypothetical protein MTH1175 [Methanothermobacter thermautotrophicus str. Delta H]" 86.11 124 100.00 100.00 2.41e-80
REF WP_010876799 "hypothetical protein [Methanothermobacter thermautotrophicus]" 86.11 124 100.00 100.00 2.41e-80
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
_Details
$MTH1175 'Methanobacterium thermoautotrophicum' 145262 Archaea . Methanobacterium thermoautotrophicum 'delta H' 'genomic DNA'
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$MTH1175 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid PET15B
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$MTH1175 . mM 1.5 2.0 '[U-13C; U-15N]'
NaCl 150 mM . . .
'phosphate buffer' 25 mM . . .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$MTH1175 . mM 1.5 2.0 [U-15N]
NaCl 150 mM . . .
'phosphate buffer' 25 mM . . .
stop_
save_
############################
# Computer software used #
############################
save_X-PLOR
_Saveframe_category software
_Name X-PLOR
_Version 3.1
loop_
_Task
'refinement, structure solution'
stop_
_Details Brunger
save_
save_FELIX
_Saveframe_category software
_Name FELIX
_Version 98
loop_
_Task
processing
stop_
_Details MSI
save_
save_VNMR
_Saveframe_category software
_Name VNMR
_Version .
loop_
_Task
collection
stop_
_Details Varian
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 600
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model 'Unity Plus'
_Field_strength 500
_Details .
save_
save_NMR_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 750
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_4D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 13C-separated_NOESY'
_Sample_label .
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated_NOESY'
_Sample_label .
save_
save_HNHA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_Sample_label .
save_
save_3D_13C,15N-simultaneous_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C,15N-simultaneous NOESY'
_Sample_label .
save_
save_1H-15N_HSQC_D2O_exchange_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC D2O exchange'
_Sample_label .
save_
save_HNCO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
save_HNCACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_CBCACONNH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONNH
_Sample_label .
save_
save_CBCACOCAHA_9
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACOCAHA
_Sample_label .
save_
save_HCCH-TOCSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_HCC-TOCSY-NNH_11
_Saveframe_category NMR_applied_experiment
_Experiment_name HCC-TOCSY-NNH
_Sample_label .
save_
save_CCC-TOCSY-NNH_12
_Saveframe_category NMR_applied_experiment
_Experiment_name CCC-TOCSY-NNH
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 13C-separated_NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated_NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C,15N-simultaneous NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC D2O exchange'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONNH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACOCAHA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_11
_Saveframe_category NMR_applied_experiment
_Experiment_name HCC-TOCSY-NNH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_12
_Saveframe_category NMR_applied_experiment
_Experiment_name CCC-TOCSY-NNH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 0.2 n.a
temperature 298 1 K
'ionic strength' 150 . mM
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical external_to_the_sample parallel_to_Bo . $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'4D 13C-separated_NOESY'
'3D 15N-separated_NOESY'
HNHA
'3D 13C,15N-simultaneous NOESY'
'1H-15N HSQC D2O exchange'
HNCO
HNCACB
CBCACONNH
CBCACOCAHA
HCCH-TOCSY
HCC-TOCSY-NNH
CCC-TOCSY-NNH
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name MTH1175
_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 . 21 MET H H 8.72 0.02 1
2 . 21 MET HA H 4.70 0.02 1
3 . 21 MET HB2 H 2.00 0.02 2
4 . 21 MET HG2 H 2.38 0.02 2
5 . 21 MET HG3 H 2.60 0.02 2
6 . 21 MET HE H 2.15 0.02 1
7 . 21 MET CA C 55.2 0.1 1
8 . 21 MET CB C 35.1 0.1 1
9 . 21 MET CG C 31.5 0.1 1
10 . 21 MET CE C 17.1 0.1 1
11 . 21 MET N N 123.1 0.05 1
12 . 22 LYS H H 8.30 0.02 1
13 . 22 LYS HA H 5.45 0.02 1
14 . 22 LYS HB2 H 1.63 0.02 4
15 . 22 LYS HG2 H 1.43 0.02 4
16 . 22 LYS HD2 H 1.11 0.02 4
17 . 22 LYS C C 175.2 0.1 1
18 . 22 LYS CA C 55.4 0.1 1
19 . 22 LYS CB C 34.9 0.1 1
20 . 22 LYS N N 123.7 0.05 1
21 . 23 ILE H H 9.09 0.02 1
22 . 23 ILE HA H 5.03 0.02 1
23 . 23 ILE HB H 1.38 0.02 1
24 . 23 ILE HG12 H 0.65 0.02 2
25 . 23 ILE HG13 H 1.24 0.02 2
26 . 23 ILE HG2 H 0.41 0.02 1
27 . 23 ILE HD1 H 0.40 0.02 1
28 . 23 ILE C C 174.1 0.1 1
29 . 23 ILE CA C 59.1 0.1 1
30 . 23 ILE CB C 42.4 0.1 1
31 . 23 ILE CG1 C 27.8 0.1 1
32 . 23 ILE CG2 C 17.9 0.1 1
33 . 23 ILE CD1 C 15.4 0.1 1
34 . 23 ILE N N 124.4 0.05 1
35 . 24 ALA H H 8.63 0.02 1
36 . 24 ALA HA H 5.97 0.02 1
37 . 24 ALA HB H 1.38 0.02 1
38 . 24 ALA CA C 49.4 0.1 1
39 . 24 ALA CB C 23.5 0.1 1
40 . 24 ALA N N 125.1 0.05 1
41 . 25 ILE H H 9.58 0.02 1
42 . 25 ILE HA H 5.20 0.02 1
43 . 25 ILE HB H 1.76 0.02 1
44 . 25 ILE HG12 H 1.00 0.02 2
45 . 25 ILE HG13 H 1.53 0.02 2
46 . 25 ILE HG2 H 1.04 0.02 1
47 . 25 ILE HD1 H 0.84 0.02 1
48 . 25 ILE C C 175.3 0.1 1
49 . 25 ILE CA C 60.5 0.1 1
50 . 25 ILE CB C 41.3 0.1 1
51 . 25 ILE CG1 C 29.8 0.1 1
52 . 25 ILE CG2 C 20.8 0.1 1
53 . 25 ILE CD1 C 16.7 0.1 1
54 . 25 ILE N N 121.2 0.05 1
55 . 26 ALA H H 7.94 0.02 1
56 . 26 ALA HA H 3.50 0.02 1
57 . 26 ALA HB H 1.46 0.02 1
58 . 26 ALA C C 176.8 0.1 1
59 . 26 ALA CA C 53.0 0.1 1
60 . 26 ALA CB C 19.5 0.1 1
61 . 26 ALA N N 131.2 0.05 1
62 . 27 SER H H 8.72 0.02 1
63 . 27 SER HA H 4.86 0.02 1
64 . 27 SER HB2 H 3.42 0.02 2
65 . 27 SER HB3 H 3.51 0.02 2
66 . 27 SER C C 173.2 0.1 1
67 . 27 SER CA C 56.8 0.1 1
68 . 27 SER CB C 65.0 0.1 1
69 . 27 SER N N 117.7 0.05 1
70 . 28 SER H H 8.24 0.02 1
71 . 28 SER HA H 4.62 0.02 1
72 . 28 SER HB2 H 3.90 0.02 2
73 . 28 SER HB3 H 4.06 0.02 2
74 . 28 SER C C 174.9 0.1 1
75 . 28 SER CA C 58.8 0.1 1
76 . 28 SER CB C 64.0 0.1 1
77 . 28 SER N N 118.8 0.05 1
78 . 29 GLY H H 8.40 0.02 1
79 . 29 GLY HA2 H 4.41 0.02 2
80 . 29 GLY C C 173.2 0.1 1
81 . 29 GLY CA C 45.5 0.1 1
82 . 29 GLY N N 110.5 0.05 1
83 . 30 THR H H 7.90 0.02 1
84 . 30 THR HA H 3.87 0.02 1
85 . 30 THR HB H 4.35 0.02 1
86 . 30 THR HG2 H 0.27 0.02 1
87 . 30 THR CA C 60.9 0.1 1
88 . 30 THR CB C 68.8 0.1 1
89 . 30 THR CG2 C 20.1 0.1 1
90 . 30 THR N N 105.8 0.05 1
91 . 31 ASP H H 7.89 0.02 1
92 . 31 ASP HA H 4.93 0.02 1
93 . 31 ASP HB2 H 2.64 0.02 2
94 . 31 ASP HB3 H 2.68 0.02 2
95 . 31 ASP C C 177.0 0.1 1
96 . 31 ASP CA C 52.8 0.1 1
97 . 31 ASP CB C 44.5 0.1 1
98 . 31 ASP CG C 177.0 0.1 1
99 . 31 ASP N N 119.2 0.05 1
100 . 32 LEU H H 8.69 0.02 1
101 . 32 LEU HA H 4.97 0.02 1
102 . 32 LEU C C 176.6 0.1 1
103 . 32 LEU CA C 57.9 0.1 1
104 . 32 LEU CB C 41.7 0.1 1
105 . 32 LEU N N 122.8 0.05 1
106 . 33 GLY H H 8.40 0.02 1
107 . 33 GLY HA2 H 3.61 0.02 2
108 . 33 GLY HA3 H 4.23 0.02 2
109 . 33 GLY C C 174.9 0.1 1
110 . 33 GLY CA C 44.7 0.1 1
111 . 33 GLY N N 103.9 0.05 1
112 . 34 SER H H 7.48 0.02 1
113 . 34 SER HA H 4.25 0.02 1
114 . 34 SER HB2 H 3.73 0.02 2
115 . 34 SER C C 172.4 0.1 1
116 . 34 SER CA C 59.8 0.1 1
117 . 34 SER CB C 64.2 0.1 1
118 . 34 SER N N 117.6 0.05 1
119 . 35 GLU H H 8.58 0.02 1
120 . 35 GLU HA H 4.32 0.02 1
121 . 35 GLU HB2 H 1.92 0.02 2
122 . 35 GLU HG2 H 2.38 0.02 2
123 . 35 GLU C C 177.9 0.1 1
124 . 35 GLU CA C 56.9 0.1 1
125 . 35 GLU CB C 30.2 0.1 1
126 . 35 GLU CG C 36.7 0.1 1
127 . 35 GLU N N 122.3 0.05 1
128 . 36 VAL H H 8.23 0.02 1
129 . 36 VAL HA H 4.33 0.02 1
130 . 36 VAL C C 175.8 0.1 1
131 . 36 VAL CA C 62.6 0.1 1
132 . 36 VAL CB C 32.1 0.1 1
133 . 36 VAL N N 121.2 0.05 1
134 . 37 SER H H 7.19 0.02 1
135 . 37 SER HA H 4.25 0.02 1
136 . 37 SER C C 175.8 0.1 1
137 . 37 SER CA C 57.6 0.1 1
138 . 37 SER CB C 64.1 0.1 1
139 . 37 SER N N 116.1 0.05 1
140 . 38 ARG H H 8.42 0.02 1
141 . 38 ARG HA H 4.19 0.02 1
142 . 38 ARG HG2 H 1.29 0.02 2
143 . 38 ARG HD2 H 2.99 0.02 2
144 . 38 ARG C C 175.3 0.1 1
145 . 38 ARG CA C 56.9 0.1 1
146 . 38 ARG CB C 29.5 0.1 1
147 . 38 ARG CG C 27.1 0.1 1
148 . 38 ARG CD C 43.2 0.1 1
149 . 38 ARG N N 126.2 0.05 1
150 . 39 PHE H H 8.05 0.02 1
151 . 39 PHE HA H 4.93 0.02 1
152 . 39 PHE C C 174.7 0.1 1
153 . 39 PHE CA C 55.7 0.1 1
154 . 39 PHE CB C 42.7 0.1 1
155 . 39 PHE N N 117.9 0.05 1
156 . 40 PHE H H 8.89 0.02 1
157 . 40 PHE HA H 4.78 0.02 1
158 . 40 PHE HD1 H 7.45 0.02 2
159 . 40 PHE HE1 H 7.29 0.02 2
160 . 40 PHE HZ H 6.78 0.02 1
161 . 40 PHE C C 174.9 0.1 1
162 . 40 PHE CA C 60.4 0.1 1
163 . 40 PHE CB C 39.3 0.1 1
164 . 40 PHE CD1 C 132.0 0.1 2
165 . 40 PHE CE1 C 130.9 0.1 2
166 . 40 PHE CZ C 128.6 0.1 1
167 . 40 PHE N N 120.9 0.05 1
168 . 41 GLY H H 8.87 0.02 1
169 . 41 GLY HA2 H 3.69 0.02 2
170 . 41 GLY HA3 H 3.76 0.02 2
171 . 41 GLY C C 174.0 0.1 1
172 . 41 GLY CA C 46.6 0.1 1
173 . 41 GLY N N 108.9 0.05 1
174 . 42 ARG H H 7.32 0.02 1
175 . 42 ARG HA H 4.27 0.02 1
176 . 42 ARG C C 175.6 0.1 1
177 . 42 ARG CA C 54.3 0.1 1
178 . 42 ARG CB C 29.5 0.1 1
179 . 42 ARG N N 111.9 0.05 1
180 . 43 ALA H H 7.20 0.02 1
181 . 43 ALA HA H 4.34 0.02 1
182 . 43 ALA HB H 1.12 0.02 1
183 . 43 ALA C C 176.8 0.1 1
184 . 43 ALA CA C 51.1 0.1 1
185 . 43 ALA CB C 17.7 0.1 1
186 . 43 ALA N N 125.7 0.05 1
187 . 44 PRO HA H 4.08 0.02 1
188 . 44 PRO HB2 H 1.47 0.02 2
189 . 44 PRO HB3 H 2.00 0.02 2
190 . 44 PRO HG2 H 2.18 0.02 2
191 . 44 PRO HG3 H 2.47 0.02 2
192 . 44 PRO HD2 H 3.88 0.02 2
193 . 44 PRO HD3 H 3.92 0.02 2
194 . 44 PRO C C 176.5 0.1 1
195 . 44 PRO CA C 64.5 0.1 1
196 . 44 PRO CB C 31.8 0.1 1
197 . 44 PRO CG C 27.6 0.1 1
198 . 44 PRO CD C 50.4 0.1 1
199 . 45 TYR H H 7.42 0.02 1
200 . 45 TYR HA H 5.31 0.02 1
201 . 45 TYR HB2 H 2.44 0.02 2
202 . 45 TYR HB3 H 2.76 0.02 2
203 . 45 TYR HD1 H 6.69 0.02 2
204 . 45 TYR HE1 H 6.67 0.02 2
205 . 45 TYR C C 174.2 0.1 1
206 . 45 TYR CA C 55.6 0.1 1
207 . 45 TYR CB C 43.2 0.1 1
208 . 45 TYR CD1 C 133.4 0.1 2
209 . 45 TYR CE1 C 117.5 0.1 2
210 . 45 TYR N N 113.6 0.05 1
211 . 46 PHE H H 8.92 0.02 1
212 . 46 PHE HA H 5.06 0.02 1
213 . 46 PHE HB2 H 2.46 0.02 2
214 . 46 PHE HB3 H 2.63 0.02 2
215 . 46 PHE HD1 H 6.73 0.02 2
216 . 46 PHE HE1 H 6.94 0.02 2
217 . 46 PHE C C 175.1 0.1 1
218 . 46 PHE CA C 57.4 0.1 1
219 . 46 PHE CB C 42.1 0.1 1
220 . 46 PHE CD1 C 130.2 0.1 2
221 . 46 PHE N N 115.0 0.05 1
222 . 47 MET H H 8.90 0.02 1
223 . 47 MET HA H 5.10 0.02 1
224 . 47 MET HB2 H 2.30 0.02 2
225 . 47 MET HB3 H 2.03 0.02 2
226 . 47 MET HG2 H 1.95 0.02 2
227 . 47 MET HE H 1.73 0.02 1
228 . 47 MET C C 175.0 0.1 1
229 . 47 MET CA C 54.0 0.1 1
230 . 47 MET CB C 32.4 0.1 1
231 . 47 MET CG C 33.7 0.1 1
232 . 47 MET CE C 16.4 0.1 1
233 . 47 MET N N 122.3 0.05 1
234 . 48 ILE H H 9.59 0.02 1
235 . 48 ILE HA H 5.13 0.02 1
236 . 48 ILE HB H 2.11 0.02 1
237 . 48 ILE HG12 H 1.26 0.02 2
238 . 48 ILE HG13 H 1.45 0.02 2
239 . 48 ILE HG2 H 0.77 0.02 1
240 . 48 ILE HD1 H 0.66 0.02 1
241 . 48 ILE C C 176.3 0.1 1
242 . 48 ILE CA C 59.1 0.1 1
243 . 48 ILE CB C 36.8 0.1 1
244 . 48 ILE CG1 C 26.7 0.1 1
245 . 48 ILE CG2 C 17.5 0.1 1
246 . 48 ILE CD1 C 11.5 0.1 1
247 . 48 ILE N N 128.7 0.05 1
248 . 49 VAL H H 9.30 0.02 1
249 . 49 VAL HA H 4.93 0.02 1
250 . 49 VAL HB H 1.96 0.02 1
251 . 49 VAL HG1 H 0.80 0.02 2
252 . 49 VAL HG2 H 0.90 0.02 2
253 . 49 VAL C C 174.3 0.1 1
254 . 49 VAL CA C 59.6 0.1 1
255 . 49 VAL CB C 35.0 0.1 1
256 . 49 VAL CG1 C 20.9 0.1 2
257 . 49 VAL CG2 C 22.0 0.1 2
258 . 49 VAL N N 125.4 0.05 1
259 . 50 GLU H H 8.41 0.02 1
260 . 50 GLU HA H 4.98 0.02 1
261 . 50 GLU HB2 H 1.84 0.02 2
262 . 50 GLU HG2 H 2.00 0.02 2
263 . 50 GLU HG3 H 2.15 0.02 2
264 . 50 GLU C C 174.9 0.1 1
265 . 50 GLU CA C 55.1 0.1 1
266 . 50 GLU CB C 31.6 0.1 1
267 . 50 GLU CG C 36.5 0.1 1
268 . 50 GLU N N 125.4 0.05 1
269 . 51 MET H H 9.03 0.02 1
270 . 51 MET HA H 5.42 0.02 1
271 . 51 MET HB2 H 2.05 0.02 2
272 . 51 MET HG2 H 2.27 0.02 2
273 . 51 MET HG3 H 2.34 0.02 2
274 . 51 MET HE H 1.82 0.02 1
275 . 51 MET C C 175.4 0.1 1
276 . 51 MET CA C 53.7 0.1 1
277 . 51 MET CB C 35.4 0.1 1
278 . 51 MET CG C 32.3 0.1 1
279 . 51 MET CE C 16.4 0.1 1
280 . 51 MET N N 125.1 0.05 1
281 . 52 LYS H H 8.83 0.02 1
282 . 52 LYS HA H 4.63 0.02 1
283 . 52 LYS HB2 H 1.49 0.02 4
284 . 52 LYS HB3 H 1.75 0.02 4
285 . 52 LYS HG2 H 1.20 0.02 4
286 . 52 LYS HE2 H 2.76 0.02 2
287 . 52 LYS C C 176.0 0.1 1
288 . 52 LYS CA C 56.2 0.1 1
289 . 52 LYS CB C 35.4 0.1 1
290 . 52 LYS CG C 25.5 0.1 1
291 . 52 LYS CD C 29.3 0.1 1
292 . 52 LYS CE C 42.0 0.1 1
293 . 52 LYS N N 122.3 0.05 1
294 . 53 LYS H H 9.26 0.02 1
295 . 53 LYS HA H 3.89 0.02 1
296 . 53 LYS HB2 H 1.81 0.02 2
297 . 53 LYS HB3 H 2.03 0.02 2
298 . 53 LYS HG2 H 1.42 0.02 2
299 . 53 LYS HG3 H 1.70 0.02 2
300 . 53 LYS HE2 H 2.98 0.02 2
301 . 53 LYS C C 175.9 0.1 1
302 . 53 LYS CA C 57.5 0.1 1
303 . 53 LYS CB C 30.5 0.1 1
304 . 53 LYS CG C 25.5 0.1 1
305 . 53 LYS CD C 29.4 0.1 1
306 . 53 LYS CE C 42.3 0.1 1
307 . 53 LYS N N 127.4 0.05 1
308 . 54 GLY H H 8.77 0.02 1
309 . 54 GLY HA2 H 3.60 0.02 2
310 . 54 GLY HA3 H 4.09 0.02 2
311 . 54 GLY C C 173.0 0.1 1
312 . 54 GLY CA C 45.6 0.1 1
313 . 54 GLY N N 104.6 0.05 1
314 . 55 ASN H H 7.97 0.02 1
315 . 55 ASN HA H 5.00 0.02 1
316 . 55 ASN HB2 H 2.75 0.02 2
317 . 55 ASN C C 174.4 0.1 1
318 . 55 ASN CA C 51.7 0.1 1
319 . 55 ASN CB C 41.2 0.1 1
320 . 55 ASN N N 118.5 0.05 1
321 . 56 ILE H H 8.74 0.02 1
322 . 56 ILE HA H 4.11 0.02 1
323 . 56 ILE HG2 H 0.80 0.02 1
324 . 56 ILE HD1 H 0.87 0.02 1
325 . 56 ILE C C 175.9 0.1 1
326 . 56 ILE CA C 62.8 0.1 1
327 . 56 ILE CB C 37.9 0.1 1
328 . 56 ILE CG2 C 17.6 0.1 1
329 . 56 ILE CD1 C 14.1 0.1 1
330 . 56 ILE N N 123.4 0.05 1
331 . 57 GLU H H 9.25 0.02 1
332 . 57 GLU HA H 4.40 0.02 1
333 . 57 GLU HB2 H 1.76 0.02 2
334 . 57 GLU HB3 H 1.99 0.02 2
335 . 57 GLU HG2 H 2.16 0.02 2
336 . 57 GLU C C 176.5 0.1 1
337 . 57 GLU CA C 57.2 0.1 1
338 . 57 GLU CB C 31.4 0.1 1
339 . 57 GLU CG C 36.2 0.1 1
340 . 57 GLU N N 130.5 0.05 1
341 . 58 SER H H 7.71 0.02 1
342 . 58 SER HA H 4.63 0.02 1
343 . 58 SER C C 172.2 0.1 1
344 . 58 SER CA C 57.7 0.1 1
345 . 58 SER CB C 64.9 0.1 1
346 . 58 SER N N 110.9 0.05 1
347 . 59 SER H H 8.43 0.02 1
348 . 59 SER HA H 5.37 0.02 1
349 . 59 SER HB2 H 3.73 0.02 2
350 . 59 SER HB3 H 3.82 0.02 2
351 . 59 SER C C 172.6 0.1 1
352 . 59 SER CA C 57.5 0.1 1
353 . 59 SER CB C 66.0 0.1 1
354 . 59 SER N N 114.6 0.05 1
355 . 60 GLU H H 8.86 0.02 1
356 . 60 GLU HA H 4.70 0.02 1
357 . 60 GLU HB2 H 2.00 0.02 2
358 . 60 GLU HG2 H 2.25 0.02 2
359 . 60 GLU C C 173.4 0.1 1
360 . 60 GLU CA C 55.1 0.1 1
361 . 60 GLU CB C 33.3 0.1 1
362 . 60 GLU CG C 35.6 0.1 1
363 . 60 GLU N N 122.0 0.05 1
364 . 61 VAL H H 8.68 0.02 1
365 . 61 VAL HA H 4.96 0.02 1
366 . 61 VAL HB H 1.93 0.02 1
367 . 61 VAL HG1 H 0.80 0.02 2
368 . 61 VAL HG2 H 0.90 0.02 2
369 . 61 VAL C C 175.9 0.1 1
370 . 61 VAL CA C 61.0 0.1 1
371 . 61 VAL CB C 33.5 0.1 1
372 . 61 VAL CG1 C 21.6 0.1 2
373 . 61 VAL CG2 C 22.6 0.1 2
374 . 61 VAL N N 122.8 0.05 1
375 . 62 ILE H H 9.08 0.02 1
376 . 62 ILE HA H 4.82 0.02 1
377 . 62 ILE HB H 2.03 0.02 1
378 . 62 ILE HG12 H 1.23 0.02 2
379 . 62 ILE HG13 H 1.58 0.02 2
380 . 62 ILE HG2 H 0.91 0.02 1
381 . 62 ILE HD1 H 0.72 0.02 1
382 . 62 ILE C C 175.5 0.1 1
383 . 62 ILE CA C 59.1 0.1 1
384 . 62 ILE CB C 40.7 0.1 1
385 . 62 ILE CG1 C 26.8 0.1 1
386 . 62 ILE CG2 C 17.5 0.1 1
387 . 62 ILE CD1 C 13.4 0.1 1
388 . 62 ILE N N 123.3 0.05 1
389 . 63 GLU H H 8.77 0.02 1
390 . 63 GLU HA H 4.47 0.02 1
391 . 63 GLU HB2 H 1.96 0.02 1
392 . 63 GLU HB3 H 1.96 0.02 1
393 . 63 GLU HG2 H 2.15 0.02 2
394 . 63 GLU HG3 H 2.28 0.02 2
395 . 63 GLU C C 175.4 0.1 1
396 . 63 GLU CA C 56.0 0.1 1
397 . 63 GLU CB C 30.7 0.1 1
398 . 63 GLU CG C 36.7 0.1 1
399 . 63 GLU N N 124.1 0.05 1
400 . 64 ASN H H 7.78 0.02 1
401 . 64 ASN HA H 5.01 0.02 1
402 . 64 ASN HB2 H 2.22 0.02 2
403 . 64 ASN HB3 H 3.37 0.02 2
404 . 64 ASN HD21 H 6.67 0.02 2
405 . 64 ASN HD22 H 8.44 0.02 2
406 . 64 ASN CA C 49.5 0.1 1
407 . 64 ASN CB C 39.1 0.1 1
408 . 64 ASN N N 121.1 0.05 1
409 . 64 ASN ND2 N 112.6 0.05 1
410 . 65 PRO HA H 4.44 0.02 1
411 . 65 PRO HB2 H 1.96 0.02 2
412 . 65 PRO HB3 H 2.29 0.02 2
413 . 65 PRO HG2 H 1.95 0.02 2
414 . 65 PRO HG3 H 2.02 0.02 2
415 . 65 PRO HD2 H 3.91 0.02 2
416 . 65 PRO HD3 H 4.01 0.02 2
417 . 65 PRO CA C 63.8 0.1 1
418 . 65 PRO CB C 32.0 0.1 1
419 . 66 SER H H 7.66 0.02 1
420 . 66 SER HA H 4.30 0.02 1
421 . 66 SER HB2 H 3.80 0.02 2
422 . 66 SER HB3 H 3.88 0.02 2
423 . 66 SER CA C 58.6 0.1 1
424 . 66 SER CB C 63.1 0.1 1
425 . 66 SER N N 113.7 0.05 1
426 . 67 ALA H H 7.45 0.02 1
427 . 67 ALA HA H 4.13 0.02 1
428 . 67 ALA HB H 1.24 0.02 1
429 . 67 ALA C C 177.9 0.1 1
430 . 67 ALA CA C 54.2 0.1 1
431 . 67 ALA CB C 18.6 0.1 1
432 . 67 ALA N N 122.8 0.05 1
433 . 68 SER H H 7.78 0.02 1
434 . 68 SER HA H 4.44 0.02 1
435 . 68 SER CA C 57.8 0.1 1
436 . 68 SER CB C 63.7 0.1 1
437 . 68 SER N N 111.3 0.05 1
438 . 69 ALA H H 7.81 0.02 1
439 . 69 ALA HA H 4.38 0.02 1
440 . 69 ALA HB H 1.40 0.02 1
441 . 69 ALA C C 177.8 0.1 1
442 . 69 ALA CA C 52.3 0.1 1
443 . 69 ALA CB C 19.2 0.1 1
444 . 69 ALA N N 125.1 0.05 1
445 . 70 SER H H 8.46 0.02 1
446 . 70 SER CA C 59.0 0.1 1
447 . 70 SER CB C 63.3 0.1 1
448 . 70 SER N N 115.8 0.05 1
449 . 71 GLY H H 8.24 0.02 1
450 . 71 GLY CA C 45.5 0.1 1
451 . 71 GLY N N 110.4 0.05 1
452 . 72 GLY H H 8.49 0.02 1
453 . 72 GLY C C 175.0 0.1 1
454 . 72 GLY CA C 45.9 0.1 1
455 . 72 GLY N N 109.2 0.05 1
456 . 73 ALA H H 8.32 0.02 1
457 . 73 ALA HA H 4.19 0.02 1
458 . 73 ALA HB H 1.40 0.02 1
459 . 73 ALA C C 179.5 0.1 1
460 . 73 ALA CA C 54.7 0.1 1
461 . 73 ALA CB C 18.9 0.1 1
462 . 73 ALA N N 123.7 0.05 1
463 . 74 GLY H H 8.81 0.02 1
464 . 74 GLY HA2 H 3.85 0.02 2
465 . 74 GLY HA3 H 4.32 0.02 2
466 . 74 GLY C C 175.2 0.1 1
467 . 74 GLY CA C 47.9 0.1 1
468 . 74 GLY N N 108.4 0.05 1
469 . 75 ILE H H 7.94 0.02 1
470 . 75 ILE HA H 3.71 0.02 1
471 . 75 ILE HB H 1.73 0.02 1
472 . 75 ILE HG12 H 1.00 0.02 2
473 . 75 ILE HG13 H 1.60 0.02 2
474 . 75 ILE HG2 H 0.91 0.02 1
475 . 75 ILE HD1 H 0.79 0.02 1
476 . 75 ILE C C 177.4 0.1 1
477 . 75 ILE CA C 65.4 0.1 1
478 . 75 ILE CB C 38.0 0.1 1
479 . 75 ILE CG1 C 27.3 0.1 2
480 . 75 ILE CG2 C 17.5 0.1 2
481 . 75 ILE CD1 C 13.0 0.1 1
482 . 75 ILE N N 121.2 0.05 1
483 . 76 ARG H H 7.91 0.02 1
484 . 76 ARG HA H 4.12 0.02 1
485 . 76 ARG HB2 H 1.89 0.02 4
486 . 76 ARG HB3 H 1.74 0.02 4
487 . 76 ARG HG2 H 1.66 0.02 4
488 . 76 ARG HD2 H 3.19 0.02 2
489 . 76 ARG C C 179.1 0.1 1
490 . 76 ARG CA C 58.9 0.1 1
491 . 76 ARG CB C 29.5 0.1 1
492 . 76 ARG N N 120.1 0.05 1
493 . 77 THR H H 8.16 0.02 1
494 . 77 THR HA H 3.57 0.02 1
495 . 77 THR HB H 3.92 0.02 1
496 . 77 THR HG2 H 0.54 0.02 1
497 . 77 THR C C 175.5 0.1 1
498 . 77 THR CA C 67.3 0.1 1
499 . 77 THR CB C 68.0 0.1 1
500 . 77 THR CG2 C 22.6 0.1 1
501 . 77 THR N N 117.0 0.05 1
502 . 78 ALA H H 8.24 0.02 1
503 . 78 ALA HA H 3.88 0.02 1
504 . 78 ALA HB H 1.49 0.02 1
505 . 78 ALA C C 178.1 0.1 1
506 . 78 ALA CA C 56.1 0.1 1
507 . 78 ALA CB C 18.4 0.1 1
508 . 78 ALA N N 122.1 0.05 1
509 . 79 GLN H H 7.85 0.02 1
510 . 79 GLN HA H 3.85 0.02 1
511 . 79 GLN HB2 H 2.04 0.02 2
512 . 79 GLN HG2 H 2.33 0.02 2
513 . 79 GLN HG3 H 2.53 0.02 2
514 . 79 GLN C C 178.4 0.1 1
515 . 79 GLN CA C 58.8 0.1 1
516 . 79 GLN CB C 28.1 0.1 1
517 . 79 GLN CG C 33.9 0.1 1
518 . 79 GLN N N 115.3 0.05 1
519 . 80 ILE H H 7.92 0.02 1
520 . 80 ILE HA H 3.74 0.02 1
521 . 80 ILE HB H 1.87 0.02 1
522 . 80 ILE HG12 H 1.19 0.02 2
523 . 80 ILE HG13 H 1.71 0.02 2
524 . 80 ILE HG2 H 0.80 0.02 1
525 . 80 ILE HD1 H 0.87 0.02 1
526 . 80 ILE C C 179.2 0.1 1
527 . 80 ILE CA C 65.2 0.1 1
528 . 80 ILE CB C 37.9 0.1 1
529 . 80 ILE CG1 C 28.9 0.1 1
530 . 80 ILE CG2 C 17.1 0.1 1
531 . 80 ILE CD1 C 13.7 0.1 1
532 . 80 ILE N N 120.1 0.05 1
533 . 81 ILE H H 7.82 0.02 1
534 . 81 ILE HA H 3.34 0.02 1
535 . 81 ILE HB H 1.90 0.02 1
536 . 81 ILE HG12 H 0.85 0.02 2
537 . 81 ILE HG13 H 1.05 0.02 2
538 . 81 ILE HG2 H 0.51 0.02 1
539 . 81 ILE HD1 H 0.02 0.02 1
540 . 81 ILE C C 178.3 0.1 1
541 . 81 ILE CA C 64.9 0.1 1
542 . 81 ILE CB C 36.6 0.1 1
543 . 81 ILE CG1 C 28.2 0.1 1
544 . 81 ILE CG2 C 17.9 0.1 1
545 . 81 ILE CD1 C 12.0 0.1 1
546 . 81 ILE N N 120.4 0.05 1
547 . 82 ALA H H 8.28 0.02 1
548 . 82 ALA HA H 3.95 0.02 1
549 . 82 ALA HB H 1.41 0.02 1
550 . 82 ALA C C 181.4 0.1 1
551 . 82 ALA CA C 55.4 0.1 1
552 . 82 ALA CB C 18.6 0.1 1
553 . 82 ALA N N 123.3 0.05 1
554 . 83 ASN H H 8.49 0.02 1
555 . 83 ASN HA H 4.56 0.02 1
556 . 83 ASN HB2 H 2.86 0.02 2
557 . 83 ASN HB3 H 2.97 0.02 2
558 . 83 ASN HD21 H 6.92 0.02 2
559 . 83 ASN HD22 H 7.52 0.02 2
560 . 83 ASN C C 176.2 0.1 1
561 . 83 ASN CA C 55.0 0.1 1
562 . 83 ASN CB C 37.9 0.1 1
563 . 83 ASN N N 117.7 0.05 1
564 . 83 ASN ND2 N 110.9 0.05 1
565 . 84 ASN H H 7.54 0.02 1
566 . 84 ASN HA H 4.68 0.02 1
567 . 84 ASN HB2 H 2.61 0.02 2
568 . 84 ASN HB3 H 2.78 0.02 2
569 . 84 ASN HD21 H 7.24 0.02 2
570 . 84 ASN HD22 H 7.48 0.02 2
571 . 84 ASN C C 174.6 0.1 1
572 . 84 ASN CA C 54.6 0.1 1
573 . 84 ASN CB C 40.6 0.1 1
574 . 84 ASN N N 116.9 0.05 1
575 . 84 ASN ND2 N 113.6 0.05 1
576 . 85 GLY H H 8.03 0.02 1
577 . 85 GLY HA2 H 3.85 0.02 2
578 . 85 GLY HA3 H 3.96 0.02 2
579 . 85 GLY CA C 46.7 0.1 1
580 . 85 GLY N N 106.8 0.05 1
581 . 86 VAL H H 6.56 0.02 1
582 . 86 VAL HA H 3.66 0.02 1
583 . 86 VAL HB H 1.94 0.02 1
584 . 86 VAL HG1 H 0.76 0.02 2
585 . 86 VAL HG2 H 0.90 0.02 2
586 . 86 VAL C C 175.0 0.1 1
587 . 86 VAL CA C 62.1 0.1 1
588 . 86 VAL CB C 32.4 0.1 1
589 . 86 VAL CG1 C 22.3 0.1 2
590 . 86 VAL CG2 C 23.6 0.1 2
591 . 86 VAL N N 115.8 0.05 1
592 . 87 LYS H H 8.41 0.02 1
593 . 87 LYS HA H 4.69 0.02 1
594 . 87 LYS HB2 H 1.92 0.02 2
595 . 87 LYS HB3 H 2.15 0.02 2
596 . 87 LYS HG2 H 1.59 0.02 4
597 . 87 LYS HG3 H 1.75 0.02 4
598 . 87 LYS HE2 H 3.12 0.02 2
599 . 87 LYS C C 176.1 0.1 1
600 . 87 LYS CA C 55.4 0.1 1
601 . 87 LYS CB C 34.7 0.1 1
602 . 87 LYS CG C 25.2 0.1 1
603 . 87 LYS CD C 28.5 0.1 1
604 . 87 LYS CE C 42.3 0.1 1
605 . 87 LYS N N 120.9 0.05 1
606 . 88 ALA H H 7.59 0.02 1
607 . 88 ALA HA H 5.58 0.02 1
608 . 88 ALA HB H 1.35 0.02 1
609 . 88 ALA C C 174.3 0.1 1
610 . 88 ALA CA C 50.9 0.1 1
611 . 88 ALA CB C 22.4 0.1 1
612 . 88 ALA N N 121.7 0.05 1
613 . 89 VAL H H 9.21 0.02 1
614 . 89 VAL HA H 5.34 0.02 1
615 . 89 VAL HB H 1.84 0.02 1
616 . 89 VAL HG1 H 1.05 0.02 1
617 . 89 VAL HG2 H 0.94 0.02 1
618 . 89 VAL C C 173.5 0.1 1
619 . 89 VAL CA C 59.1 0.1 1
620 . 89 VAL CB C 35.5 0.1 1
621 . 89 VAL CG1 C 21.6 0.1 1
622 . 89 VAL CG2 C 23.5 0.1 1
623 . 89 VAL N N 120.9 0.05 1
624 . 90 ILE H H 9.13 0.02 1
625 . 90 ILE HA H 5.05 0.02 1
626 . 90 ILE HB H 1.72 0.02 1
627 . 90 ILE HG12 H 0.73 0.02 2
628 . 90 ILE HG13 H 1.29 0.02 2
629 . 90 ILE HG2 H 0.84 0.02 1
630 . 90 ILE HD1 H 0.44 0.02 1
631 . 90 ILE C C 174.4 0.1 1
632 . 90 ILE CA C 60.6 0.1 1
633 . 90 ILE CB C 39.4 0.1 1
634 . 90 ILE CG1 C 26.8 0.1 1
635 . 90 ILE CG2 C 17.5 0.1 1
636 . 90 ILE CD1 C 14.2 0.1 1
637 . 90 ILE N N 127.2 0.05 1
638 . 91 ALA H H 8.86 0.02 1
639 . 91 ALA HA H 4.82 0.02 1
640 . 91 ALA HB H 1.57 0.02 1
641 . 91 ALA C C 175.7 0.1 1
642 . 91 ALA CA C 51.5 0.1 1
643 . 91 ALA CB C 22.5 0.1 1
644 . 91 ALA N N 127.1 0.05 1
645 . 92 SER H H 8.87 0.02 1
646 . 92 SER HA H 4.57 0.02 1
647 . 92 SER HB2 H 3.78 0.02 2
648 . 92 SER C C 173.6 0.1 1
649 . 92 SER CA C 59.1 0.1 1
650 . 92 SER CB C 63.8 0.1 1
651 . 92 SER N N 115.0 0.05 1
652 . 93 SER H H 8.27 0.02 1
653 . 93 SER HA H 4.35 0.02 1
654 . 93 SER CA C 57.0 0.1 1
655 . 93 SER CB C 63.5 0.1 1
656 . 93 SER N N 111.5 0.05 1
657 . 94 PRO HA H 4.40 0.02 1
658 . 94 PRO HB2 H 1.86 0.02 2
659 . 94 PRO HB3 H 2.23 0.02 2
660 . 94 PRO HG2 H 1.17 0.02 2
661 . 94 PRO HG3 H 1.63 0.02 2
662 . 94 PRO HD2 H 3.60 0.02 2
663 . 94 PRO CA C 62.9 0.1 1
664 . 94 PRO CB C 32.0 0.1 1
665 . 94 PRO CG C 27.3 0.1 1
666 . 94 PRO CD C 50.4 0.1 1
667 . 95 GLY H H 8.66 0.02 1
668 . 95 GLY HA2 H 4.23 0.02 2
669 . 95 GLY CA C 44.7 0.1 1
670 . 95 GLY N N 110.0 0.05 1
671 . 96 PRO HA H 4.23 0.02 1
672 . 96 PRO HB2 H 2.00 0.02 2
673 . 96 PRO HB3 H 2.30 0.02 2
674 . 96 PRO CA C 65.7 0.1 1
675 . 96 PRO CB C 32.2 0.1 1
676 . 97 ASN H H 8.42 0.02 1
677 . 97 ASN HA H 4.58 0.02 1
678 . 97 ASN HD21 H 7.12 0.02 2
679 . 97 ASN HD22 H 7.77 0.02 2
680 . 97 ASN C C 177.3 0.1 1
681 . 97 ASN CA C 56.3 0.1 1
682 . 97 ASN CB C 38.0 0.1 1
683 . 97 ASN N N 116.5 0.05 1
684 . 97 ASN ND2 N 113.2 0.05 1
685 . 98 ALA H H 8.18 0.02 1
686 . 98 ALA HA H 3.85 0.02 1
687 . 98 ALA HB H 1.32 0.02 1
688 . 98 ALA C C 178.6 0.1 1
689 . 98 ALA CA C 55.0 0.1 1
690 . 98 ALA CB C 19.6 0.1 1
691 . 98 ALA N N 123.0 0.05 1
692 . 99 PHE H H 8.45 0.02 1
693 . 99 PHE HA H 3.61 0.02 1
694 . 99 PHE HB2 H 2.88 0.02 2
695 . 99 PHE HB3 H 3.12 0.02 2
696 . 99 PHE HD1 H 6.93 0.02 2
697 . 99 PHE HE1 H 7.14 0.02 2
698 . 99 PHE HZ H 6.77 0.02 1
699 . 99 PHE C C 176.7 0.1 1
700 . 99 PHE CA C 62.1 0.1 1
701 . 99 PHE CB C 39.5 0.1 1
702 . 99 PHE CD1 C 131.5 0.1 2
703 . 99 PHE CE1 C 131.5 0.1 2
704 . 99 PHE CZ C 128.6 0.1 1
705 . 99 PHE N N 116.3 0.05 1
706 . 100 GLU H H 7.89 0.02 1
707 . 100 GLU HA H 3.96 0.02 1
708 . 100 GLU HB2 H 2.15 0.02 2
709 . 100 GLU HB3 H 2.22 0.02 2
710 . 100 GLU HG2 H 2.39 0.02 2
711 . 100 GLU HG3 H 2.46 0.02 2
712 . 100 GLU C C 178.7 0.1 1
713 . 100 GLU CA C 59.7 0.1 1
714 . 100 GLU CB C 29.4 0.1 1
715 . 100 GLU CG C 36.1 0.1 1
716 . 100 GLU N N 117.2 0.05 1
717 . 101 VAL H H 7.28 0.02 1
718 . 101 VAL HA H 3.73 0.02 1
719 . 101 VAL HB H 1.99 0.02 1
720 . 101 VAL HG1 H 0.84 0.02 1
721 . 101 VAL HG2 H 1.11 0.02 1
722 . 101 VAL C C 177.8 0.1 1
723 . 101 VAL CA C 65.9 0.1 1
724 . 101 VAL CB C 31.8 0.1 1
725 . 101 VAL CG1 C 21.3 0.1 1
726 . 101 VAL CG2 C 22.8 0.1 1
727 . 101 VAL N N 117.9 0.05 1
728 . 102 LEU H H 7.62 0.02 1
729 . 102 LEU HA H 3.83 0.02 1
730 . 102 LEU HD1 H 0.45 0.02 2
731 . 102 LEU HD2 H 0.73 0.02 2
732 . 102 LEU C C 178.5 0.1 1
733 . 102 LEU CA C 57.9 0.1 1
734 . 102 LEU CB C 40.4 0.1 1
735 . 102 LEU CD1 C 25.8 0.1 2
736 . 102 LEU CD2 C 23.0 0.1 2
737 . 102 LEU N N 117.2 0.05 1
738 . 103 ASN H H 8.62 0.02 1
739 . 103 ASN HA H 4.19 0.02 1
740 . 103 ASN HB2 H 2.20 0.02 2
741 . 103 ASN HB3 H 2.39 0.02 2
742 . 103 ASN HD21 H 6.77 0.02 2
743 . 103 ASN HD22 H 7.80 0.02 2
744 . 103 ASN C C 179.4 0.1 1
745 . 103 ASN CA C 57.1 0.1 1
746 . 103 ASN CB C 39.6 0.1 1
747 . 103 ASN N N 117.3 0.05 1
748 . 103 ASN ND2 N 113.2 0.05 1
749 . 104 GLU H H 8.10 0.02 1
750 . 104 GLU HA H 4.03 0.02 1
751 . 104 GLU HB2 H 2.12 0.02 2
752 . 104 GLU HB3 H 2.20 0.02 4
753 . 104 GLU HG2 H 2.39 0.02 2
754 . 104 GLU C C 178.0 0.1 1
755 . 104 GLU CA C 59.1 0.1 1
756 . 104 GLU CB C 29.2 0.1 1
757 . 104 GLU CG C 36.1 0.1 1
758 . 104 GLU N N 120.7 0.05 1
759 . 105 LEU H H 7.30 0.02 1
760 . 105 LEU HA H 4.34 0.02 1
761 . 105 LEU HB2 H 1.72 0.02 2
762 . 105 LEU HB3 H 1.83 0.02 2
763 . 105 LEU HG H 1.87 0.02 1
764 . 105 LEU HD1 H 0.79 0.02 2
765 . 105 LEU HD2 H 0.86 0.02 2
766 . 105 LEU C C 177.2 0.1 1
767 . 105 LEU CA C 54.6 0.1 1
768 . 105 LEU CB C 42.7 0.1 1
769 . 105 LEU CG C 26.7 0.1 1
770 . 105 LEU CD1 C 26.0 0.1 2
771 . 105 LEU CD2 C 22.0 0.1 2
772 . 105 LEU N N 117.1 0.05 1
773 . 106 GLY H H 7.82 0.02 1
774 . 106 GLY HA2 H 3.80 0.02 2
775 . 106 GLY HA3 H 3.98 0.02 2
776 . 106 GLY CA C 46.1 0.1 1
777 . 106 GLY N N 108.6 0.05 1
778 . 107 ILE H H 7.87 0.02 1
779 . 107 ILE HA H 3.91 0.02 1
780 . 107 ILE HB H 1.59 0.02 1
781 . 107 ILE HG12 H 1.11 0.02 2
782 . 107 ILE HG13 H 1.51 0.02 2
783 . 107 ILE HG2 H 0.55 0.02 1
784 . 107 ILE HD1 H 0.77 0.02 1
785 . 107 ILE C C 174.9 0.1 1
786 . 107 ILE CA C 61.4 0.1 1
787 . 107 ILE CB C 38.4 0.1 1
788 . 107 ILE CG1 C 27.7 0.1 2
789 . 107 ILE CG2 C 17.5 0.1 2
790 . 107 ILE CD1 C 14.5 0.1 1
791 . 107 ILE N N 122.5 0.05 1
792 . 108 LYS H H 7.34 0.02 1
793 . 108 LYS HA H 4.23 0.02 1
794 . 108 LYS HG2 H 1.64 0.02 4
795 . 108 LYS HE2 H 3.02 0.02 2
796 . 108 LYS C C 174.7 0.1 1
797 . 108 LYS CA C 56.2 0.1 1
798 . 108 LYS CB C 35.7 0.1 1
799 . 108 LYS CG C 29.4 0.1 1
800 . 108 LYS CD C 26.1 0.1 1
801 . 108 LYS CE C 42.3 0.1 1
802 . 108 LYS N N 126.8 0.05 1
803 . 109 ILE H H 8.70 0.02 1
804 . 109 ILE HA H 5.03 0.02 1
805 . 109 ILE HB H 1.59 0.02 1
806 . 109 ILE HG12 H 0.63 0.02 2
807 . 109 ILE HG13 H 1.40 0.02 2
808 . 109 ILE HG2 H 0.75 0.02 1
809 . 109 ILE HD1 H 0.54 0.02 1
810 . 109 ILE C C 173.5 0.1 1
811 . 109 ILE CA C 59.1 0.1 1
812 . 109 ILE CB C 40.2 0.1 1
813 . 109 ILE CG1 C 28.2 0.1 1
814 . 109 ILE CG2 C 18.7 0.1 1
815 . 109 ILE CD1 C 15.8 0.1 1
816 . 109 ILE N N 121.4 0.05 1
817 . 110 TYR H H 9.39 0.02 1
818 . 110 TYR HA H 5.05 0.02 1
819 . 110 TYR HB2 H 2.66 0.02 1
820 . 110 TYR HB3 H 2.82 0.02 2
821 . 110 TYR HD1 H 6.88 0.02 2
822 . 110 TYR HE1 H 6.80 0.02 2
823 . 110 TYR C C 174.4 0.1 1
824 . 110 TYR CA C 56.8 0.1 1
825 . 110 TYR CB C 41.8 0.1 1
826 . 110 TYR CD1 C 132.9 0.1 2
827 . 110 TYR CE1 C 118.5 0.1 2
828 . 110 TYR N N 125.4 0.05 1
829 . 111 ARG H H 8.64 0.02 1
830 . 111 ARG HA H 4.60 0.02 1
831 . 111 ARG HB2 H 1.66 0.02 4
832 . 111 ARG HB3 H 1.99 0.02 4
833 . 111 ARG C C 175.8 0.1 1
834 . 111 ARG CA C 56.0 0.1 1
835 . 111 ARG CB C 30.6 0.1 1
836 . 111 ARG CG C 27.5 0.1 1
837 . 111 ARG N N 121.6 0.05 1
838 . 112 ALA H H 7.87 0.02 1
839 . 112 ALA HA H 4.21 0.02 1
840 . 112 ALA HB H 1.19 0.02 1
841 . 112 ALA C C 177.5 0.1 1
842 . 112 ALA CA C 52.6 0.1 1
843 . 112 ALA CB C 19.3 0.1 1
844 . 112 ALA N N 129.9 0.05 1
845 . 113 THR H H 7.98 0.02 1
846 . 113 THR HA H 4.54 0.02 1
847 . 113 THR HB H 4.22 0.02 1
848 . 113 THR HG2 H 1.19 0.02 1
849 . 113 THR CA C 61.3 0.1 1
850 . 113 THR CB C 70.2 0.1 1
851 . 113 THR CG2 C 21.6 0.1 1
852 . 113 THR N N 112.9 0.05 1
853 . 114 GLY H H 8.55 0.02 1
854 . 114 GLY HA2 H 3.31 0.02 2
855 . 114 GLY HA3 H 4.35 0.02 2
856 . 114 GLY CA C 45.2 0.1 1
857 . 114 GLY N N 109.9 0.05 1
858 . 115 THR H H 8.70 0.02 1
859 . 115 THR HA H 4.32 0.02 1
860 . 115 THR HB H 4.37 0.02 1
861 . 115 THR HG2 H 1.22 0.02 1
862 . 115 THR C C 174.4 0.1 1
863 . 115 THR CA C 63.7 0.1 1
864 . 115 THR CB C 68.8 0.1 1
865 . 115 THR CG2 C 21.3 0.1 1
866 . 115 THR N N 118.2 0.05 1
867 . 116 SER H H 7.98 0.02 1
868 . 116 SER HA H 5.12 0.02 1
869 . 116 SER HB2 H 3.92 0.02 2
870 . 116 SER HB3 H 4.14 0.02 2
871 . 116 SER C C 177.2 0.1 1
872 . 116 SER CA C 56.6 0.1 1
873 . 116 SER CB C 67.0 0.1 1
874 . 116 SER N N 114.4 0.05 1
875 . 117 VAL H H 8.91 0.02 1
876 . 117 VAL HA H 3.42 0.02 1
877 . 117 VAL HB H 2.50 0.02 1
878 . 117 VAL HG1 H 0.90 0.02 2
879 . 117 VAL HG2 H 1.00 0.02 2
880 . 117 VAL CA C 68.3 0.1 1
881 . 117 VAL CB C 31.0 0.1 1
882 . 117 VAL CG1 C 21.9 0.1 1
883 . 117 VAL CG2 C 21.9 0.1 1
884 . 117 VAL N N 125.3 0.05 1
885 . 118 GLU H H 8.66 0.02 1
886 . 118 GLU HA H 3.85 0.02 1
887 . 118 GLU HB2 H 1.94 0.02 2
888 . 118 GLU HB3 H 2.10 0.02 2
889 . 118 GLU HG2 H 2.15 0.02 2
890 . 118 GLU HG3 H 2.27 0.02 2
891 . 118 GLU C C 178.3 0.1 1
892 . 118 GLU CA C 59.9 0.1 1
893 . 118 GLU CB C 29.0 0.1 1
894 . 118 GLU CG C 35.1 0.1 1
895 . 118 GLU N N 117.8 0.05 1
896 . 119 GLU H H 8.16 0.02 1
897 . 119 GLU HA H 4.06 0.02 1
898 . 119 GLU HG2 H 2.21 0.02 2
899 . 119 GLU HG3 H 2.33 0.02 2
900 . 119 GLU CA C 59.4 0.1 1
901 . 119 GLU CB C 30.1 0.1 1
902 . 119 GLU CG C 36.6 0.1 1
903 . 119 GLU N N 120.6 0.05 1
904 . 120 ASN H H 7.85 0.02 1
905 . 120 ASN HA H 4.50 0.02 1
906 . 120 ASN HB2 H 2.44 0.02 2
907 . 120 ASN HB3 H 2.81 0.02 2
908 . 120 ASN HD21 H 6.84 0.02 2
909 . 120 ASN HD22 H 6.92 0.02 2
910 . 120 ASN C C 174.0 0.1 1
911 . 120 ASN CA C 58.1 0.1 1
912 . 120 ASN CB C 40.3 0.1 1
913 . 120 ASN N N 116.4 0.05 1
914 . 120 ASN ND2 N 114.0 0.05 1
915 . 121 LEU H H 8.35 0.02 1
916 . 121 LEU HA H 4.00 0.02 1
917 . 121 LEU HB2 H 1.75 0.02 2
918 . 121 LEU HG H 1.66 0.02 1
919 . 121 LEU HD1 H 0.80 0.02 2
920 . 121 LEU HD2 H 0.87 0.02 2
921 . 121 LEU C C 178.4 0.1 1
922 . 121 LEU CA C 58.1 0.1 1
923 . 121 LEU CB C 41.6 0.1 1
924 . 121 LEU CD1 C 24.2 0.1 2
925 . 121 LEU CD2 C 25.2 0.1 2
926 . 121 LEU N N 121.0 0.05 1
927 . 122 LYS H H 7.83 0.02 1
928 . 122 LYS HA H 4.05 0.02 1
929 . 122 LYS HB2 H 1.99 0.02 2
930 . 122 LYS HG2 H 1.39 0.02 2
931 . 122 LYS HG3 H 1.52 0.02 2
932 . 122 LYS C C 179.2 0.1 1
933 . 122 LYS CA C 59.7 0.1 1
934 . 122 LYS CB C 31.7 0.1 1
935 . 122 LYS CG C 29.3 0.1 1
936 . 122 LYS CD C 24.8 0.1 1
937 . 122 LYS CE C 42.3 0.1 1
938 . 122 LYS N N 121.2 0.05 1
939 . 123 LEU H H 8.10 0.02 1
940 . 123 LEU HA H 4.08 0.02 1
941 . 123 LEU C C 179.6 0.1 1
942 . 123 LEU CA C 58.1 0.1 1
943 . 123 LEU CB C 42.8 0.1 1
944 . 123 LEU N N 118.9 0.05 1
945 . 124 PHE H H 8.62 0.02 1
946 . 124 PHE HA H 4.02 0.02 1
947 . 124 PHE HB2 H 3.12 0.02 2
948 . 124 PHE HB3 H 3.27 0.02 2
949 . 124 PHE HD1 H 6.60 0.02 2
950 . 124 PHE HE1 H 6.53 0.02 2
951 . 124 PHE HZ H 6.90 0.02 1
952 . 124 PHE C C 179.6 0.1 1
953 . 124 PHE CA C 61.2 0.1 1
954 . 124 PHE CB C 39.1 0.1 1
955 . 124 PHE CD1 C 130.8 0.1 2
956 . 124 PHE CE1 C 131.6 0.1 2
957 . 124 PHE CZ C 129.5 0.1 1
958 . 124 PHE N N 119.9 0.05 1
959 . 125 THR H H 8.42 0.02 1
960 . 125 THR HA H 3.70 0.02 1
961 . 125 THR HB H 4.36 0.02 1
962 . 125 THR HG2 H 1.37 0.02 1
963 . 125 THR C C 175.7 0.1 1
964 . 125 THR CA C 65.7 0.1 1
965 . 125 THR CB C 68.8 0.1 1
966 . 125 THR CG2 C 22.4 0.1 1
967 . 125 THR N N 115.8 0.05 1
968 . 126 GLU H H 7.52 0.02 1
969 . 126 GLU HA H 4.16 0.02 1
970 . 126 GLU HB2 H 2.09 0.02 2
971 . 126 GLU HG2 H 2.21 0.02 2
972 . 126 GLU HG3 H 2.45 0.02 2
973 . 126 GLU C C 176.4 0.1 1
974 . 126 GLU CA C 56.3 0.1 1
975 . 126 GLU CB C 30.5 0.1 1
976 . 126 GLU CG C 36.2 0.1 1
977 . 126 GLU N N 118.5 0.05 1
978 . 127 GLY H H 7.63 0.02 1
979 . 127 GLY HA2 H 3.73 0.02 2
980 . 127 GLY HA3 H 3.97 0.02 2
981 . 127 GLY CA C 46.0 0.1 1
982 . 127 GLY N N 107.1 0.05 1
983 . 128 ASN H H 8.20 0.02 1
984 . 128 ASN HA H 5.03 0.02 1
985 . 128 ASN HB2 H 2.46 0.02 2
986 . 128 ASN HB3 H 3.13 0.02 2
987 . 128 ASN HD21 H 6.93 0.02 2
988 . 128 ASN HD22 H 7.46 0.02 2
989 . 128 ASN C C 175.1 0.1 1
990 . 128 ASN CA C 53.1 0.1 1
991 . 128 ASN CB C 40.6 0.1 1
992 . 128 ASN N N 115.8 0.05 1
993 . 128 ASN ND2 N 113.2 0.05 1
994 . 129 LEU H H 7.84 0.02 1
995 . 129 LEU HA H 4.97 0.02 1
996 . 129 LEU HB2 H 1.66 0.02 2
997 . 129 LEU HB3 H 1.90 0.02 2
998 . 129 LEU HG H 1.11 0.02 1
999 . 129 LEU HD1 H 0.85 0.02 2
1000 . 129 LEU HD2 H 1.24 0.02 2
1001 . 129 LEU C C 176.5 0.1 1
1002 . 129 LEU CA C 53.9 0.1 1
1003 . 129 LEU CB C 43.8 0.1 1
1004 . 129 LEU CG C 27.9 0.1 1
1005 . 129 LEU CD1 C 26.1 0.1 2
1006 . 129 LEU CD2 C 23.5 0.1 2
1007 . 129 LEU N N 117.2 0.05 1
1008 . 130 GLU H H 9.53 0.02 1
1009 . 130 GLU HA H 4.43 0.02 1
1010 . 130 GLU HB2 H 2.02 0.02 2
1011 . 130 GLU HG2 H 2.31 0.02 2
1012 . 130 GLU C C 175.6 0.1 1
1013 . 130 GLU CA C 55.5 0.1 1
1014 . 130 GLU CB C 31.6 0.1 1
1015 . 130 GLU CG C 36.3 0.1 1
1016 . 130 GLU N N 124.3 0.05 1
1017 . 131 GLU H H 8.70 0.02 1
1018 . 131 GLU HA H 4.13 0.02 1
1019 . 131 GLU C C 176.8 0.1 1
1020 . 131 GLU CA C 56.0 0.1 1
1021 . 131 GLU CB C 30.5 0.1 1
1022 . 131 GLU CG C 36.2 0.1 1
1023 . 131 GLU N N 125.6 0.05 1
1024 . 132 ILE H H 9.04 0.02 1
1025 . 132 ILE HA H 4.01 0.02 1
1026 . 132 ILE HB H 1.72 0.02 1
1027 . 132 ILE HG2 H 0.90 0.02 1
1028 . 132 ILE HD1 H 0.78 0.02 1
1029 . 132 ILE C C 175.1 0.1 1
1030 . 132 ILE CA C 62.2 0.1 1
1031 . 132 ILE CB C 37.7 0.1 1
1032 . 132 ILE CG2 C 17.6 0.1 1
1033 . 132 ILE CD1 C 13.4 0.1 1
1034 . 132 ILE N N 128.1 0.05 1
1035 . 133 ARG H H 8.41 0.02 1
1036 . 133 ARG HA H 4.54 0.02 1
1037 . 133 ARG C C 175.3 0.1 1
1038 . 133 ARG CA C 55.3 0.1 1
1039 . 133 ARG CB C 31.7 0.1 1
1040 . 133 ARG N N 125.4 0.05 1
1041 . 134 SER H H 7.70 0.02 1
1042 . 134 SER CA C 55.5 0.1 1
1043 . 134 SER CB C 63.5 0.1 1
1044 . 134 SER N N 115.2 0.05 1
1045 . 136 GLY H H 8.24 0.02 1
1046 . 136 GLY CA C 45.1 0.1 1
1047 . 136 GLY N N 108.3 0.05 1
1048 . 137 SER H H 8.20 0.02 1
1049 . 137 SER CA C 58.5 0.1 1
1050 . 137 SER CB C 64.0 0.1 1
1051 . 137 SER N N 115.3 0.05 1
1052 . 138 GLY H H 8.54 0.02 1
1053 . 138 GLY CA C 45.6 0.1 1
1054 . 138 GLY N N 110.9 0.05 1
1055 . 139 ARG H H 8.28 0.02 1
1056 . 139 ARG CA C 56.4 0.1 1
1057 . 139 ARG CB C 30.7 0.1 1
1058 . 139 ARG CG C 27.0 0.1 1
1059 . 139 ARG CD C 43.3 0.1 1
1060 . 139 ARG N N 120.5 0.05 1
1061 . 140 GLY H H 8.51 0.02 1
1062 . 140 GLY CA C 45.2 0.1 1
1063 . 140 GLY N N 109.9 0.05 1
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