data_15855
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR assignment of human Growth Arrest and DNA Damage alpha protein (Gadd45a)
;
_BMRB_accession_number 15855
_BMRB_flat_file_name bmr15855.str
_Entry_type original
_Submission_date 2008-07-03
_Accession_date 2008-07-03
_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 Sanchez Ricardo . .
2 Pantoja-Uceda David . .
3 Torres Daniel . .
4 Prieto Jesus . .
5 Campos-Olivas Ramon . .
6 Blanco 'Francisco J.' . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 790
"13C chemical shifts" 627
"15N chemical shifts" 153
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-04-16 update BMRB 'add related PDB ID'
2009-08-18 update BMRB 'added PubMed ID'
2008-12-02 update BMRB 'complete update citation'
2008-07-07 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_citations_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR assignment and secondary structure of human growth arrest and DNA damage alpha protein (Gadd45 alpha)'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19636889
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Sanchez Ricardo . .
2 Pantoja-Uceda David . .
3 Torres Daniel . .
4 Prieto Jesus . .
5 Campos-Olivas Ramon . .
6 Blanco Francisco J. .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_name_full 'Biomolecular NMR Assignments'
_Journal_volume 2
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 139
_Page_last 142
_Year 2008
_Details .
loop_
_Keyword
'DNA damage'
Gadd45
'growth arrest'
'NMR assignment'
'selective labeling'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name Gadd45a
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Gadd45a $Gadd45a
stop_
_System_molecular_weight 18627
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Gadd45a
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Gadd45a
_Molecular_mass 18627
_Mol_thiol_state 'all free'
loop_
_Biological_function
'DNA damage'
'growth arrest'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 168
_Mol_residue_sequence
;
GPHMTLEEFSAGEQKTERMD
KVGDALEEVLSKALSQRTIT
VGVYEAAKLLNVDPDNVVLC
LLAADEDDDRDVALQIHFTL
IQAFCCENDINILRVSNPGR
LAELLLLETDAGPAASEGAE
QPPDLHCVLVTNPHSSQWKD
PALSQLICFCRESRYMDQWV
PVINLPER
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -2 GLY 2 -1 PRO 3 0 HIS 4 1 MET 5 2 THR
6 3 LEU 7 4 GLU 8 5 GLU 9 6 PHE 10 7 SER
11 8 ALA 12 9 GLY 13 10 GLU 14 11 GLN 15 12 LYS
16 13 THR 17 14 GLU 18 15 ARG 19 16 MET 20 17 ASP
21 18 LYS 22 19 VAL 23 20 GLY 24 21 ASP 25 22 ALA
26 23 LEU 27 24 GLU 28 25 GLU 29 26 VAL 30 27 LEU
31 28 SER 32 29 LYS 33 30 ALA 34 31 LEU 35 32 SER
36 33 GLN 37 34 ARG 38 35 THR 39 36 ILE 40 37 THR
41 38 VAL 42 39 GLY 43 40 VAL 44 41 TYR 45 42 GLU
46 43 ALA 47 44 ALA 48 45 LYS 49 46 LEU 50 47 LEU
51 48 ASN 52 49 VAL 53 50 ASP 54 51 PRO 55 52 ASP
56 53 ASN 57 54 VAL 58 55 VAL 59 56 LEU 60 57 CYS
61 58 LEU 62 59 LEU 63 60 ALA 64 61 ALA 65 62 ASP
66 63 GLU 67 64 ASP 68 65 ASP 69 66 ASP 70 67 ARG
71 68 ASP 72 69 VAL 73 70 ALA 74 71 LEU 75 72 GLN
76 73 ILE 77 74 HIS 78 75 PHE 79 76 THR 80 77 LEU
81 78 ILE 82 79 GLN 83 80 ALA 84 81 PHE 85 82 CYS
86 83 CYS 87 84 GLU 88 85 ASN 89 86 ASP 90 87 ILE
91 88 ASN 92 89 ILE 93 90 LEU 94 91 ARG 95 92 VAL
96 93 SER 97 94 ASN 98 95 PRO 99 96 GLY 100 97 ARG
101 98 LEU 102 99 ALA 103 100 GLU 104 101 LEU 105 102 LEU
106 103 LEU 107 104 LEU 108 105 GLU 109 106 THR 110 107 ASP
111 108 ALA 112 109 GLY 113 110 PRO 114 111 ALA 115 112 ALA
116 113 SER 117 114 GLU 118 115 GLY 119 116 ALA 120 117 GLU
121 118 GLN 122 119 PRO 123 120 PRO 124 121 ASP 125 122 LEU
126 123 HIS 127 124 CYS 128 125 VAL 129 126 LEU 130 127 VAL
131 128 THR 132 129 ASN 133 130 PRO 134 131 HIS 135 132 SER
136 133 SER 137 134 GLN 138 135 TRP 139 136 LYS 140 137 ASP
141 138 PRO 142 139 ALA 143 140 LEU 144 141 SER 145 142 GLN
146 143 LEU 147 144 ILE 148 145 CYS 149 146 PHE 150 147 CYS
151 148 ARG 152 149 GLU 153 150 SER 154 151 ARG 155 152 TYR
156 153 MET 157 154 ASP 158 155 GLN 159 156 TRP 160 157 VAL
161 158 PRO 162 159 VAL 163 160 ILE 164 161 ASN 165 162 LEU
166 163 PRO 167 164 GLU 168 165 ARG
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-08-05
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 2KG4 "Three-Dimensional Structure Of Human Gadd45alpha In Solution By Nmr" 98.21 165 100.00 100.00 1.10e-115
DBJ BAD60923 "growth arrest and DNA damage-inducible protein 45 [Felis catus]" 98.21 165 99.39 99.39 6.25e-115
DBJ BAG37487 "unnamed protein product [Homo sapiens]" 98.21 165 100.00 100.00 1.10e-115
DBJ BAG73211 "growth arrest and DNA-damage-inducible, alpha [synthetic construct]" 98.21 165 100.00 100.00 1.10e-115
EMBL CAL38317 "hypothetical protein [synthetic construct]" 98.21 165 100.00 100.00 1.10e-115
GB AAA35863 "growth arrest and DNA-damage-inducible protein [Homo sapiens]" 98.21 165 100.00 100.00 1.10e-115
GB AAA72045 "gadd45 [Homo sapiens]" 98.21 165 100.00 100.00 1.10e-115
GB AAH11757 "Growth arrest and DNA-damage-inducible, alpha [Homo sapiens]" 98.21 165 100.00 100.00 1.10e-115
GB AAI03199 "Growth arrest and DNA-damage-inducible, alpha [Bos taurus]" 98.21 165 99.39 100.00 6.60e-115
GB AAM88884 "growth arrest and DNA-damage-inducible, alpha [Homo sapiens]" 98.21 165 100.00 100.00 1.10e-115
REF NP_001029419 "growth arrest and DNA damage-inducible protein GADD45 alpha [Bos taurus]" 98.21 165 99.39 100.00 6.60e-115
REF NP_001038064 "growth arrest and DNA damage-inducible protein GADD45 alpha [Sus scrofa]" 98.21 165 97.58 98.18 1.08e-112
REF NP_001248234 "growth arrest and DNA damage-inducible protein GADD45 alpha [Macaca mulatta]" 98.21 165 99.39 100.00 3.01e-115
REF NP_001915 "growth arrest and DNA damage-inducible protein GADD45 alpha isoform 1 [Homo sapiens]" 98.21 165 100.00 100.00 1.10e-115
REF XP_002715979 "PREDICTED: growth arrest and DNA damage-inducible protein GADD45 alpha [Oryctolagus cuniculus]" 98.21 165 98.18 98.79 1.08e-113
SP P24522 "RecName: Full=Growth arrest and DNA damage-inducible protein GADD45 alpha; AltName: Full=DNA damage-inducible transcript 1 prot" 98.21 165 100.00 100.00 1.10e-115
SP Q3ZBN6 "RecName: Full=Growth arrest and DNA damage-inducible protein GADD45 alpha" 98.21 165 99.39 100.00 6.60e-115
SP Q60GI5 "RecName: Full=Growth arrest and DNA damage-inducible protein GADD45 alpha" 98.21 165 99.39 99.39 6.25e-115
TPG DAA31278 "TPA: growth arrest and DNA-damage-inducible protein GADD45 alpha [Bos taurus]" 98.21 165 99.39 100.00 6.60e-115
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
$Gadd45a Human 9606 Eukaryota Metazoa Homo sapiens gadd45a
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Variant
_Vector_name
_Details
$Gadd45a 'recombinant technology' . Escherichia coli 'Rosetta BL21' (DE3) 'modified pET28' 'PreScission protease cleveage site between His Tag and native protein'
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_HGa_CN
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Gadd45a 450 uM '[U-99% 13C; U-99% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'potassium chloride' 100 mM 'natural abundance'
DTT 2 mM 'natural abundance'
EDTA 2 mM 'natural abundance'
'sodium azide' 0.03 % 'natural abundance'
stop_
save_
save_HGa_N
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Gadd45a 450 uM '[U-99% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'potassium chloride' 100 mM 'natural abundance'
DTT 2 mM 'natural abundance'
EDTA 2 mM 'natural abundance'
'sodium azide' 0.03 % 'natural abundance'
stop_
save_
save_HGa_D2O
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Gadd45a 195 uM 'natural abundance'
'sodium phosphate' 20 mM 'natural abundance'
'potassium chloride' 100 mM 'natural abundance'
DTT-d10 2 mM 'natural abundance'
EDTA-d12 2 mM 'natural abundance'
'sodium azide' 0.03 % 'natural abundance'
stop_
save_
save_HGa_15NLeu
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Gadd45a 450 uM [U-15N]-Leu
'sodium phosphate' 20 mM 'natural abundance'
'potassium chloride' 100 mM 'natural abundance'
DTT 2 mM 'natural abundance'
EDTA 2 mM 'natural abundance'
'sodium azide' 0.03 % 'natural abundance'
stop_
save_
save_HGa_15NVal
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Gadd45a 450 uM [U-15N]-Val
'sodium phosphate' 20 mM 'natural abundance'
'potassium chloride' 100 mM 'natural abundance'
DTT 2 mM 'natural abundance'
EDTA 2 mM 'natural abundance'
'sodium azide' 0.03 % 'natural abundance'
stop_
save_
save_HGa_15NIle
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Gadd45a 450 uM [U-15N]-Ile
'sodium phosphate' 20 mM 'natural abundance'
'potassium chloride' 100 mM 'natural abundance'
DTT 2 mM 'natural abundance'
EDTA 2 mM 'natural abundance'
'sodium azide' 0.03 % 'natural abundance'
stop_
save_
save_HGa_15NPhe_Tyr
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Gadd45a 450 uM [U-15N]-Phe/Tyr
'sodium phosphate' 20 mM 'natural abundance'
'potassium chloride' 100 mM 'natural abundance'
DTT 2 mM 'natural abundance'
EDTA 2 mM 'natural abundance'
'sodium azide' 0.03 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_xwinnmr
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 1.02
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRDraw
_Saveframe_category software
_Name NMRDraw
_Version 2.3
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRView
_Saveframe_category software
_Name NMRView
_Version 5
loop_
_Vendor
_Address
_Electronic_address
'Johnson, One Moon Scientific' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details 'TXI Cryprobe'
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model 'Avance II'
_Field_strength 800
_Details 'TXI Cryprobe'
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model 'Avance II'
_Field_strength 900
_Details 'TXI Cryprobe'
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $HGa_N
save_
save_2D_1H-13C_HMQC_Aliphatic_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HMQC Aliphatic'
_Sample_label $HGa_CN
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $HGa_CN
save_
save_3D_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $HGa_CN
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $HGa_CN
save_
save_3D_CBCA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $HGa_CN
save_
save_3D_HN(CO)CA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $HGa_CN
save_
save_3D_HNHA_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNHA'
_Sample_label $HGa_N
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $HGa_N
save_
save_2D_1H-1H_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $HGa_D2O
save_
save_2D_1H-15N_HSQC_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $HGa_15NLeu
save_
save_2D_1H-15N_HSQC_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $HGa_15NVal
save_
save_2D_1H-15N_HSQC_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $HGa_15NIle
save_
save_2D_1H-15N_HSQC_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $HGa_15NPhe_Tyr
save_
save_4D_1H-15N_1H13C_NOESY_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 1H-15N 1H13C NOESY'
_Sample_label $HGa_CN
save_
save_2D_1H-13C_HMQC_Aromatic_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HMQC Aromatic'
_Sample_label $HGa_CN
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.27 . M
pH 7.4 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
water C 13 protons ppm 4.770 internal indirect . . . 0.251449530
water H 1 protons ppm 4.770 internal direct . . . 1
water N 15 protons ppm 4.770 internal indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$NMRView
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HMQC Aliphatic'
'3D HNCO'
'2D 1H-13C HMQC Aromatic'
stop_
loop_
_Sample_label
$HGa_N
$HGa_CN
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name Gadd45a
_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 4 MET HE H 2.033 0.02 5
2 1 4 MET C C 177.287 0.2 1
3 1 4 MET CE C 17.651 0.2 5
4 2 5 THR H H 8.208 0.02 1
5 2 5 THR HA H 4.302 0.02 1
6 2 5 THR HB H 4.270 0.02 1
7 2 5 THR HG2 H 1.265 0.02 1
8 2 5 THR C C 174.901 0.2 1
9 2 5 THR CA C 62.769 0.2 1
10 2 5 THR CB C 70.561 0.2 1
11 2 5 THR CG2 C 22.171 0.2 1
12 2 5 THR N N 120.526 0.1 1
13 3 6 LEU H H 8.391 0.02 1
14 3 6 LEU HA H 4.367 0.02 1
15 3 6 LEU HB2 H 1.632 0.02 1
16 3 6 LEU HB3 H 1.632 0.02 1
17 3 6 LEU C C 177.496 0.2 1
18 3 6 LEU CA C 56.128 0.2 1
19 3 6 LEU CB C 42.835 0.2 1
20 3 6 LEU CD1 C 24.110 0.2 2
21 3 6 LEU CD2 C 25.534 0.2 2
22 3 6 LEU CG C 27.522 0.2 1
23 3 6 LEU N N 124.286 0.1 1
24 4 7 GLU H H 8.380 0.02 1
25 4 7 GLU HA H 4.193 0.02 1
26 4 7 GLU HB2 H 1.844 0.02 1
27 4 7 GLU HB3 H 1.844 0.02 1
28 4 7 GLU HG2 H 2.199 0.02 1
29 4 7 GLU HG3 H 2.199 0.02 1
30 4 7 GLU C C 176.402 0.2 1
31 4 7 GLU CA C 57.431 0.2 1
32 4 7 GLU CB C 30.664 0.2 1
33 4 7 GLU CG C 34.392 0.2 1
34 4 7 GLU N N 121.388 0.1 1
35 5 8 GLU H H 8.490 0.02 1
36 5 8 GLU HA H 4.298 0.02 1
37 5 8 GLU HB2 H 1.950 0.02 1
38 5 8 GLU HB3 H 1.950 0.02 1
39 5 8 GLU C C 176.228 0.2 1
40 5 8 GLU CA C 57.203 0.2 1
41 5 8 GLU CB C 30.495 0.2 1
42 5 8 GLU CG C 36.765 0.2 1
43 5 8 GLU N N 123.681 0.1 1
44 6 9 PHE H H 8.254 0.02 1
45 6 9 PHE HA H 4.573 0.02 1
46 6 9 PHE HB2 H 3.018 0.02 2
47 6 9 PHE HB3 H 3.133 0.02 2
48 6 9 PHE HD1 H 7.227 0.02 3
49 6 9 PHE HE1 H 7.303 0.02 3
50 6 9 PHE HZ H 7.254 0.02 1
51 6 9 PHE C C 175.847 0.2 1
52 6 9 PHE CA C 58.839 0.2 1
53 6 9 PHE CB C 40.290 0.2 1
54 6 9 PHE CD1 C 131.931 0.2 3
55 6 9 PHE CE1 C 131.346 0.2 3
56 6 9 PHE CZ C 129.881 0.2 1
57 6 9 PHE N N 120.878 0.1 1
58 7 10 SER H H 8.231 0.02 1
59 7 10 SER HA H 4.389 0.02 1
60 7 10 SER HB2 H 3.833 0.02 1
61 7 10 SER HB3 H 3.833 0.02 1
62 7 10 SER C C 174.207 0.2 1
63 7 10 SER CA C 55.024 0.2 1
64 7 10 SER CB C 64.458 0.2 1
65 7 10 SER N N 117.299 0.1 1
66 8 11 ALA H H 8.227 0.02 1
67 8 11 ALA HA H 4.352 0.02 1
68 8 11 ALA HB H 1.414 0.02 1
69 8 11 ALA C C 178.251 0.2 1
70 8 11 ALA CA C 53.352 0.2 1
71 8 11 ALA CB C 19.459 0.2 1
72 8 11 ALA N N 125.944 0.1 1
73 9 12 GLY H H 8.256 0.02 1
74 9 12 GLY HA2 H 3.932 0.02 2
75 9 12 GLY HA3 H 4.326 0.02 2
76 9 12 GLY C C 174.239 0.2 1
77 9 12 GLY CA C 45.919 0.2 1
78 9 12 GLY N N 107.571 0.1 1
79 10 13 GLU H H 8.228 0.02 1
80 10 13 GLU HA H 4.262 0.02 1
81 10 13 GLU HB2 H 1.958 0.02 1
82 10 13 GLU HB3 H 1.958 0.02 1
83 10 13 GLU HG2 H 2.208 0.02 1
84 10 13 GLU HG3 H 2.208 0.02 1
85 10 13 GLU C C 176.628 0.2 1
86 10 13 GLU CA C 57.186 0.2 1
87 10 13 GLU CB C 30.502 0.2 1
88 10 13 GLU CG C 36.801 0.2 1
89 10 13 GLU N N 120.659 0.1 1
90 11 14 GLN H H 8.454 0.02 1
91 11 14 GLN HA H 4.278 0.02 1
92 11 14 GLN HB2 H 2.001 0.02 1
93 11 14 GLN HB3 H 2.001 0.02 1
94 11 14 GLN HG2 H 2.371 0.02 1
95 11 14 GLN HG3 H 2.371 0.02 1
96 11 14 GLN C C 176.097 0.2 1
97 11 14 GLN CA C 56.579 0.2 1
98 11 14 GLN CB C 29.726 0.2 1
99 11 14 GLN CG C 34.445 0.2 1
100 11 14 GLN N N 121.461 0.1 1
101 12 15 LYS H H 8.422 0.02 1
102 12 15 LYS HA H 4.363 0.02 1
103 12 15 LYS HB2 H 1.790 0.02 1
104 12 15 LYS HB3 H 1.790 0.02 1
105 12 15 LYS C C 176.988 0.2 1
106 12 15 LYS CA C 57.378 0.2 1
107 12 15 LYS CB C 33.304 0.2 1
108 12 15 LYS CD C 29.411 0.2 1
109 12 15 LYS CE C 42.908 0.2 1
110 12 15 LYS N N 122.877 0.1 1
111 13 16 THR H H 8.208 0.02 1
112 13 16 THR HA H 4.243 0.02 1
113 13 16 THR HB H 4.169 0.02 1
114 13 16 THR HG2 H 1.239 0.02 1
115 13 16 THR C C 174.813 0.2 1
116 13 16 THR CA C 63.247 0.2 1
117 13 16 THR CB C 70.495 0.2 1
118 13 16 THR CG2 C 22.297 0.2 1
119 13 16 THR N N 115.381 0.1 1
120 14 17 GLU H H 8.505 0.02 1
121 14 17 GLU HA H 4.271 0.02 1
122 14 17 GLU HB2 H 1.915 0.02 1
123 14 17 GLU HB3 H 1.915 0.02 1
124 14 17 GLU C C 177.006 0.2 1
125 14 17 GLU CA C 57.921 0.2 1
126 14 17 GLU CB C 31.059 0.2 1
127 14 17 GLU N N 123.399 0.1 1
128 16 19 MET HA H 4.351 0.02 1
129 16 19 MET HB2 H 1.900 0.02 1
130 16 19 MET HB3 H 1.900 0.02 1
131 16 19 MET HE H 2.067 0.02 5
132 16 19 MET HG2 H 2.103 0.02 1
133 16 19 MET HG3 H 2.103 0.02 1
134 16 19 MET C C 177.401 0.2 1
135 16 19 MET CA C 57.524 0.2 1
136 16 19 MET CB C 30.836 0.2 1
137 16 19 MET CE C 17.707 0.2 5
138 16 19 MET CG C 32.289 0.2 1
139 17 20 ASP H H 8.374 0.02 1
140 17 20 ASP HA H 4.528 0.02 1
141 17 20 ASP HB2 H 2.707 0.02 2
142 17 20 ASP HB3 H 2.743 0.02 2
143 17 20 ASP C C 177.278 0.2 1
144 17 20 ASP CA C 57.037 0.2 1
145 17 20 ASP CB C 41.218 0.2 1
146 17 20 ASP N N 121.176 0.1 1
147 18 21 LYS H H 8.093 0.02 1
148 18 21 LYS HA H 4.319 0.02 1
149 18 21 LYS HB2 H 1.917 0.02 1
150 18 21 LYS HB3 H 1.917 0.02 1
151 18 21 LYS HG2 H 1.419 0.02 1
152 18 21 LYS HG3 H 1.419 0.02 1
153 18 21 LYS C C 179.054 0.2 1
154 18 21 LYS CA C 58.163 0.2 1
155 18 21 LYS CB C 32.383 0.2 1
156 18 21 LYS CD C 33.127 0.2 1
157 18 21 LYS CE C 42.580 0.2 1
158 18 21 LYS CG C 25.477 0.2 1
159 18 21 LYS N N 119.556 0.1 1
160 19 22 VAL H H 7.909 0.02 1
161 19 22 VAL HA H 3.618 0.02 1
162 19 22 VAL HB H 1.743 0.02 1
163 19 22 VAL HG1 H 0.375 0.02 2
164 19 22 VAL HG2 H 0.506 0.02 2
165 19 22 VAL C C 177.321 0.2 1
166 19 22 VAL CA C 66.189 0.2 1
167 19 22 VAL CB C 31.547 0.2 1
168 19 22 VAL CG1 C 21.878 0.2 2
169 19 22 VAL CG2 C 22.107 0.2 2
170 19 22 VAL N N 119.617 0.1 1
171 20 23 GLY H H 8.347 0.02 1
172 20 23 GLY HA2 H 3.519 0.02 2
173 20 23 GLY HA3 H 3.945 0.02 2
174 20 23 GLY C C 175.546 0.2 1
175 20 23 GLY CA C 48.380 0.2 1
176 20 23 GLY N N 109.273 0.1 1
177 21 24 ASP H H 7.764 0.02 1
178 21 24 ASP HA H 4.293 0.02 1
179 21 24 ASP HB2 H 2.644 0.02 2
180 21 24 ASP HB3 H 2.765 0.02 2
181 21 24 ASP C C 178.948 0.2 1
182 21 24 ASP CA C 57.818 0.2 1
183 21 24 ASP CB C 40.665 0.2 1
184 21 24 ASP N N 121.474 0.1 1
185 22 25 ALA H H 7.668 0.02 1
186 22 25 ALA HA H 4.198 0.02 1
187 22 25 ALA HB H 1.517 0.02 1
188 22 25 ALA C C 179.055 0.2 1
189 22 25 ALA CA C 55.329 0.2 1
190 22 25 ALA CB C 17.807 0.2 1
191 22 25 ALA N N 123.337 0.1 1
192 23 26 LEU H H 8.229 0.02 1
193 23 26 LEU HA H 3.992 0.02 1
194 23 26 LEU HB2 H 1.355 0.02 1
195 23 26 LEU HB3 H 1.355 0.02 1
196 23 26 LEU HD1 H 0.804 0.02 2
197 23 26 LEU HD2 H 0.820 0.02 2
198 23 26 LEU HG H 1.717 0.02 1
199 23 26 LEU C C 177.610 0.2 1
200 23 26 LEU CA C 57.991 0.2 1
201 23 26 LEU CB C 41.043 0.2 1
202 23 26 LEU CD1 C 26.606 0.2 2
203 23 26 LEU CD2 C 24.401 0.2 2
204 23 26 LEU CG C 27.496 0.2 1
205 23 26 LEU N N 117.771 0.1 1
206 24 27 GLU H H 8.054 0.02 1
207 24 27 GLU HA H 3.621 0.02 1
208 24 27 GLU HB2 H 1.996 0.02 1
209 24 27 GLU HB3 H 1.996 0.02 1
210 24 27 GLU HG2 H 2.216 0.02 1
211 24 27 GLU HG3 H 2.216 0.02 1
212 24 27 GLU C C 177.935 0.2 1
213 24 27 GLU CA C 61.216 0.2 1
214 24 27 GLU CB C 29.981 0.2 1
215 24 27 GLU CG C 37.367 0.2 1
216 24 27 GLU N N 119.251 0.1 1
217 25 28 GLU H H 7.900 0.02 1
218 25 28 GLU HA H 4.040 0.02 1
219 25 28 GLU HB2 H 2.155 0.02 1
220 25 28 GLU HB3 H 2.155 0.02 1
221 25 28 GLU HG2 H 2.160 0.02 1
222 25 28 GLU HG3 H 2.160 0.02 1
223 25 28 GLU C C 179.067 0.2 1
224 25 28 GLU CA C 60.499 0.2 1
225 25 28 GLU CB C 29.976 0.2 1
226 25 28 GLU CG C 36.981 0.2 1
227 25 28 GLU N N 120.116 0.1 1
228 26 29 VAL H H 8.450 0.02 1
229 26 29 VAL HA H 3.635 0.02 1
230 26 29 VAL HB H 2.056 0.02 1
231 26 29 VAL HG1 H 0.872 0.02 2
232 26 29 VAL C C 178.294 0.2 1
233 26 29 VAL CA C 67.556 0.2 1
234 26 29 VAL CB C 32.326 0.2 1
235 26 29 VAL CG1 C 24.469 0.2 2
236 26 29 VAL N N 119.895 0.1 1
237 27 30 LEU H H 8.575 0.02 1
238 27 30 LEU HA H 3.917 0.02 1
239 27 30 LEU HB2 H 1.169 0.02 4
240 27 30 LEU HB3 H 1.489 0.02 4
241 27 30 LEU HD1 H 0.652 0.02 2
242 27 30 LEU HD2 H 0.829 0.02 2
243 27 30 LEU HG H 1.744 0.02 4
244 27 30 LEU C C 178.195 0.2 1
245 27 30 LEU CA C 58.429 0.2 1
246 27 30 LEU CB C 42.258 0.2 1
247 27 30 LEU CD1 C 23.404 0.2 2
248 27 30 LEU CD2 C 22.356 0.2 2
249 27 30 LEU CG C 26.983 0.2 1
250 27 30 LEU N N 118.699 0.1 1
251 28 31 SER H H 8.378 0.02 1
252 28 31 SER HA H 4.004 0.02 1
253 28 31 SER HB2 H 4.133 0.02 1
254 28 31 SER HB3 H 4.133 0.02 1
255 28 31 SER C C 177.801 0.2 1
256 28 31 SER CA C 63.416 0.2 1
257 28 31 SER CB C 62.938 0.2 1
258 28 31 SER N N 114.159 0.1 1
259 29 32 LYS H H 8.209 0.02 1
260 29 32 LYS HA H 4.077 0.02 1
261 29 32 LYS HB2 H 1.982 0.02 1
262 29 32 LYS HB3 H 1.982 0.02 1
263 29 32 LYS HG2 H 1.393 0.02 1
264 29 32 LYS HG3 H 1.393 0.02 1
265 29 32 LYS C C 178.665 0.2 1
266 29 32 LYS CA C 60.052 0.2 1
267 29 32 LYS CB C 33.092 0.2 1
268 29 32 LYS CG C 25.781 0.2 1
269 29 32 LYS N N 123.075 0.1 1
270 30 33 ALA H H 8.825 0.02 1
271 30 33 ALA HA H 4.256 0.02 1
272 30 33 ALA HB H 1.561 0.02 1
273 30 33 ALA C C 179.970 0.2 1
274 30 33 ALA CA C 55.378 0.2 1
275 30 33 ALA CB C 19.875 0.2 1
276 30 33 ALA N N 123.085 0.1 1
277 31 34 LEU H H 8.517 0.02 1
278 31 34 LEU HA H 4.028 0.02 1
279 31 34 LEU HB2 H 1.753 0.02 1
280 31 34 LEU HB3 H 1.753 0.02 1
281 31 34 LEU HD1 H 0.791 0.02 2
282 31 34 LEU HD2 H 0.987 0.02 2
283 31 34 LEU HG H 1.597 0.02 1
284 31 34 LEU CA C 58.953 0.2 1
285 31 34 LEU CB C 42.793 0.2 1
286 31 34 LEU CD2 C 26.017 0.2 2
287 31 34 LEU CG C 25.564 0.2 1
288 31 34 LEU N N 120.600 0.1 1
289 32 35 SER H H 7.774 0.02 1
290 32 35 SER HA H 4.237 0.02 1
291 32 35 SER HB2 H 4.040 0.02 1
292 32 35 SER HB3 H 4.040 0.02 1
293 32 35 SER C C 176.141 0.2 1
294 32 35 SER CA C 62.169 0.2 1
295 32 35 SER CB C 63.625 0.2 1
296 32 35 SER N N 114.902 0.1 1
297 33 36 GLN H H 8.214 0.02 1
298 33 36 GLN HA H 4.327 0.02 1
299 33 36 GLN HB2 H 2.049 0.02 1
300 33 36 GLN HB3 H 2.049 0.02 1
301 33 36 GLN HE21 H 7.138 0.02 2
302 33 36 GLN HE22 H 6.132 0.02 2
303 33 36 GLN HG2 H 2.433 0.02 1
304 33 36 GLN HG3 H 2.433 0.02 1
305 33 36 GLN C C 174.588 0.2 1
306 33 36 GLN CA C 56.398 0.2 1
307 33 36 GLN CB C 29.732 0.2 1
308 33 36 GLN CG C 34.732 0.2 1
309 33 36 GLN N N 117.061 0.1 1
310 33 36 GLN NE2 N 110.020 0.1 1
311 34 37 ARG H H 7.925 0.02 1
312 34 37 ARG HA H 3.967 0.02 1
313 34 37 ARG HB2 H 1.636 0.02 1
314 34 37 ARG HB3 H 1.636 0.02 1
315 34 37 ARG HD2 H 3.284 0.02 1
316 34 37 ARG HD3 H 3.284 0.02 1
317 34 37 ARG HG2 H 1.694 0.02 1
318 34 37 ARG HG3 H 1.694 0.02 1
319 34 37 ARG C C 176.518 0.2 1
320 34 37 ARG CA C 58.057 0.2 1
321 34 37 ARG CB C 26.850 0.2 1
322 34 37 ARG CD C 43.830 0.2 1
323 34 37 ARG CG C 27.969 0.2 1
324 34 37 ARG N N 115.988 0.1 1
325 35 38 THR H H 8.636 0.02 1
326 35 38 THR HA H 4.395 0.02 1
327 35 38 THR HB H 4.842 0.02 1
328 35 38 THR HG2 H 0.946 0.02 1
329 35 38 THR C C 174.771 0.2 1
330 35 38 THR CA C 59.718 0.2 1
331 35 38 THR CB C 68.470 0.2 1
332 35 38 THR CG2 C 21.307 0.2 1
333 35 38 THR N N 111.802 0.1 1
334 36 39 ILE H H 7.251 0.02 1
335 36 39 ILE HA H 5.372 0.02 1
336 36 39 ILE HB H 1.645 0.02 1
337 36 39 ILE HD1 H 0.945 0.02 1
338 36 39 ILE HG2 H 0.784 0.02 1
339 36 39 ILE C C 174.490 0.2 1
340 36 39 ILE CA C 59.259 0.2 1
341 36 39 ILE CB C 42.640 0.2 1
342 36 39 ILE CD1 C 14.495 0.2 1
343 36 39 ILE CG2 C 17.817 0.2 1
344 36 39 ILE N N 118.576 0.1 1
345 37 40 THR H H 8.924 0.02 1
346 37 40 THR HA H 4.525 0.02 1
347 37 40 THR HB H 3.676 0.02 1
348 37 40 THR HG2 H 1.089 0.02 1
349 37 40 THR C C 172.968 0.2 1
350 37 40 THR CA C 63.496 0.2 1
351 37 40 THR CB C 72.498 0.2 1
352 37 40 THR CG2 C 21.425 0.2 1
353 37 40 THR N N 124.638 0.1 1
354 38 41 VAL H H 8.907 0.02 1
355 38 41 VAL HA H 4.592 0.02 1
356 38 41 VAL HB H 2.108 0.02 1
357 38 41 VAL HG1 H 0.980 0.02 2
358 38 41 VAL HG2 H 1.003 0.02 2
359 38 41 VAL C C 175.234 0.2 1
360 38 41 VAL CA C 63.072 0.2 1
361 38 41 VAL CB C 35.179 0.2 1
362 38 41 VAL CG1 C 21.692 0.2 2
363 38 41 VAL CG2 C 23.011 0.2 2
364 38 41 VAL N N 125.822 0.1 1
365 39 42 GLY H H 8.642 0.02 1
366 39 42 GLY HA2 H 4.083 0.02 2
367 39 42 GLY HA3 H 4.861 0.02 2
368 39 42 GLY C C 177.285 0.2 1
369 39 42 GLY CA C 45.541 0.2 1
370 39 42 GLY N N 116.094 0.1 1
371 40 43 VAL H H 9.174 0.02 1
372 40 43 VAL HA H 4.146 0.02 1
373 40 43 VAL HB H 1.745 0.02 1
374 40 43 VAL HG1 H 0.342 0.02 2
375 40 43 VAL C C 177.930 0.2 1
376 40 43 VAL CG1 C 20.200 0.2 2
377 40 43 VAL N N 120.231 0.1 1
378 41 44 TYR H H 7.776 0.02 1
379 41 44 TYR HA H 4.155 0.02 1
380 41 44 TYR HB2 H 2.963 0.02 2
381 41 44 TYR HB3 H 3.066 0.02 2
382 41 44 TYR HD1 H 7.099 0.02 3
383 41 44 TYR HE1 H 6.704 0.02 3
384 41 44 TYR CD1 C 133.152 0.2 3
385 41 44 TYR CE1 C 118.164 0.2 3
386 41 44 TYR N N 120.375 0.1 1
387 43 46 ALA HB H 1.375 0.02 1
388 43 46 ALA C C 178.586 0.2 1
389 43 46 ALA CA C 56.068 0.2 1
390 43 46 ALA CB C 20.036 0.2 1
391 44 47 ALA H H 7.921 0.02 1
392 44 47 ALA HA H 3.736 0.02 1
393 44 47 ALA HB H 1.500 0.02 1
394 44 47 ALA C C 179.594 0.2 1
395 44 47 ALA CA C 56.087 0.2 1
396 44 47 ALA CB C 18.433 0.2 1
397 44 47 ALA N N 118.474 0.1 1
398 45 48 LYS H H 7.295 0.02 1
399 45 48 LYS HA H 3.964 0.02 1
400 45 48 LYS HB2 H 1.798 0.02 1
401 45 48 LYS HB3 H 1.798 0.02 1
402 45 48 LYS HG2 H 1.343 0.02 1
403 45 48 LYS HG3 H 1.343 0.02 1
404 45 48 LYS C C 178.497 0.2 1
405 45 48 LYS CA C 59.720 0.2 1
406 45 48 LYS CB C 32.925 0.2 1
407 45 48 LYS CG C 25.504 0.2 1
408 45 48 LYS N N 116.193 0.1 1
409 46 49 LEU H H 7.595 0.02 1
410 46 49 LEU HA H 4.057 0.02 1
411 46 49 LEU HB2 H 1.575 0.02 1
412 46 49 LEU HB3 H 1.575 0.02 1
413 46 49 LEU HD1 H 0.855 0.02 1
414 46 49 LEU HD2 H 0.960 0.02 1
415 46 49 LEU HG H 1.516 0.02 1
416 46 49 LEU C C 179.292 0.2 1
417 46 49 LEU CA C 58.927 0.2 1
418 46 49 LEU CB C 42.187 0.2 1
419 46 49 LEU CD2 C 21.848 0.2 2
420 46 49 LEU CG C 27.886 0.2 1
421 46 49 LEU N N 120.331 0.1 1
422 47 50 LEU C C 175.848 0.2 1
423 47 50 LEU CA C 58.180 0.2 1
424 47 50 LEU CB C 42.044 0.2 1
425 47 50 LEU CG C 27.757 0.2 1
426 48 51 ASN H H 6.903 0.02 1
427 48 51 ASN HA H 4.291 0.02 1
428 48 51 ASN HB2 H 2.687 0.02 1
429 48 51 ASN HB3 H 2.687 0.02 1
430 48 51 ASN HD21 H 7.378 0.02 2
431 48 51 ASN HD22 H 6.704 0.02 2
432 48 51 ASN C C 176.082 0.2 1
433 48 51 ASN CA C 55.480 0.2 1
434 48 51 ASN CB C 40.622 0.2 1
435 48 51 ASN N N 110.985 0.1 1
436 48 51 ASN ND2 N 112.657 0.1 1
437 49 52 VAL H H 7.624 0.02 1
438 49 52 VAL HA H 4.184 0.02 1
439 49 52 VAL HB H 2.055 0.02 1
440 49 52 VAL HG1 H 0.988 0.02 1
441 49 52 VAL HG2 H 0.988 0.02 1
442 49 52 VAL C C 175.725 0.2 1
443 49 52 VAL CA C 64.335 0.2 1
444 49 52 VAL CB C 34.016 0.2 1
445 49 52 VAL CG1 C 21.729 0.2 1
446 49 52 VAL CG2 C 21.729 0.2 1
447 49 52 VAL N N 115.528 0.1 1
448 50 53 ASP H H 8.681 0.02 1
449 50 53 ASP HA H 5.184 0.02 1
450 50 53 ASP HB2 H 2.334 0.02 1
451 50 53 ASP HB3 H 2.334 0.02 1
452 50 53 ASP C C 180.343 0.2 1
453 50 53 ASP CA C 53.028 0.2 1
454 50 53 ASP CB C 41.967 0.2 1
455 50 53 ASP N N 119.568 0.1 1
456 51 54 PRO HA H 4.144 0.02 1
457 51 54 PRO HB2 H 2.134 0.02 1
458 51 54 PRO HB3 H 2.134 0.02 1
459 51 54 PRO HD2 H 3.361 0.02 2
460 51 54 PRO HD3 H 3.716 0.02 2
461 51 54 PRO HG2 H 2.004 0.02 1
462 51 54 PRO HG3 H 2.004 0.02 1
463 51 54 PRO C C 178.299 0.2 1
464 51 54 PRO CA C 65.676 0.2 1
465 51 54 PRO CB C 32.407 0.2 1
466 51 54 PRO CD C 50.743 0.2 1
467 51 54 PRO CG C 25.542 0.2 1
468 52 55 ASP H H 8.225 0.02 1
469 52 55 ASP HA H 4.427 0.02 1
470 52 55 ASP HB2 H 2.669 0.02 2
471 52 55 ASP HB3 H 2.709 0.02 2
472 52 55 ASP C C 176.804 0.2 1
473 52 55 ASP CA C 57.037 0.2 1
474 52 55 ASP CB C 41.047 0.2 1
475 52 55 ASP N N 116.328 0.1 1
476 53 56 ASN H H 7.547 0.02 1
477 53 56 ASN HA H 4.970 0.02 1
478 53 56 ASN HB2 H 2.713 0.02 2
479 53 56 ASN HB3 H 3.006 0.02 2
480 53 56 ASN C C 174.150 0.2 1
481 53 56 ASN CA C 53.687 0.2 1
482 53 56 ASN CB C 40.624 0.2 1
483 53 56 ASN N N 114.974 0.1 1
484 54 57 VAL H H 7.540 0.02 1
485 54 57 VAL HA H 3.920 0.02 1
486 54 57 VAL HB H 2.369 0.02 1
487 54 57 VAL HG1 H 0.837 0.02 2
488 54 57 VAL HG2 H 0.868 0.02 2
489 54 57 VAL C C 175.055 0.2 1
490 54 57 VAL CA C 63.988 0.2 1
491 54 57 VAL CB C 32.849 0.2 1
492 54 57 VAL CG1 C 24.251 0.2 2
493 54 57 VAL CG2 C 22.963 0.2 2
494 54 57 VAL N N 119.501 0.1 1
495 55 58 VAL H H 8.772 0.02 1
496 55 58 VAL HA H 4.302 0.02 1
497 55 58 VAL HB H 1.967 0.02 1
498 55 58 VAL HG1 H 0.584 0.02 2
499 55 58 VAL HG2 H 0.797 0.02 2
500 55 58 VAL C C 175.174 0.2 1
501 55 58 VAL CA C 62.584 0.2 1
502 55 58 VAL CB C 33.500 0.2 1
503 55 58 VAL CG1 C 21.262 0.2 2
504 55 58 VAL CG2 C 22.456 0.2 2
505 55 58 VAL N N 123.154 0.1 1
506 56 59 LEU H H 7.403 0.02 1
507 56 59 LEU HA H 4.644 0.02 1
508 56 59 LEU HB2 H 1.265 0.02 1
509 56 59 LEU HB3 H 1.265 0.02 1
510 56 59 LEU HD1 H 0.664 0.02 2
511 56 59 LEU HD2 H 0.841 0.02 2
512 56 59 LEU HG H 1.614 0.02 1
513 56 59 LEU C C 173.121 0.2 1
514 56 59 LEU CA C 55.300 0.2 1
515 56 59 LEU CB C 47.711 0.2 1
516 56 59 LEU CD1 C 21.043 0.2 2
517 56 59 LEU CD2 C 24.130 0.2 2
518 56 59 LEU CG C 27.161 0.2 1
519 56 59 LEU N N 118.468 0.1 1
520 57 60 CYS H H 8.783 0.02 1
521 57 60 CYS HA H 4.954 0.02 1
522 57 60 CYS HB2 H 2.265 0.02 2
523 57 60 CYS HB3 H 2.731 0.02 2
524 57 60 CYS C C 171.492 0.2 1
525 57 60 CYS CA C 57.147 0.2 1
526 57 60 CYS CB C 30.121 0.2 1
527 57 60 CYS N N 125.618 0.1 1
528 58 61 LEU H H 9.369 0.02 1
529 58 61 LEU HA H 5.356 0.02 1
530 58 61 LEU HB2 H 1.323 0.02 1
531 58 61 LEU HB3 H 1.323 0.02 1
532 58 61 LEU HD1 H 0.749 0.02 2
533 58 61 LEU HD2 H 0.888 0.02 2
534 58 61 LEU HG H 1.645 0.02 1
535 58 61 LEU C C 175.613 0.2 1
536 58 61 LEU CA C 53.131 0.2 1
537 58 61 LEU CB C 44.661 0.2 1
538 58 61 LEU CD1 C 26.965 0.2 2
539 58 61 LEU CG C 25.425 0.2 1
540 58 61 LEU N N 128.076 0.1 1
541 59 62 LEU H H 8.714 0.02 1
542 59 62 LEU HA H 4.984 0.02 1
543 59 62 LEU HB2 H 1.360 0.02 2
544 59 62 LEU HB3 H 1.447 0.02 2
545 59 62 LEU HD1 H 0.427 0.02 2
546 59 62 LEU HD2 H 0.499 0.02 2
547 59 62 LEU C C 176.012 0.2 1
548 59 62 LEU CA C 53.440 0.2 1
549 59 62 LEU CB C 43.935 0.2 1
550 59 62 LEU CD1 C 26.197 0.2 2
551 59 62 LEU CD2 C 22.720 0.2 2
552 59 62 LEU N N 121.706 0.1 1
553 60 63 ALA H H 8.510 0.02 1
554 60 63 ALA HA H 4.869 0.02 1
555 60 63 ALA HB H 1.301 0.02 1
556 60 63 ALA C C 174.821 0.2 1
557 60 63 ALA CA C 52.192 0.2 1
558 60 63 ALA CB C 22.306 0.2 1
559 60 63 ALA N N 124.765 0.1 1
560 61 64 ALA H H 8.440 0.02 1
561 61 64 ALA HA H 4.406 0.02 1
562 61 64 ALA HB H 1.543 0.02 1
563 61 64 ALA C C 175.926 0.2 1
564 61 64 ALA CA C 52.414 0.2 1
565 61 64 ALA CB C 22.337 0.2 1
566 61 64 ALA N N 123.314 0.1 1
567 62 65 ASP H H 9.210 0.02 1
568 62 65 ASP HA H 4.858 0.02 1
569 62 65 ASP HB2 H 2.711 0.02 2
570 62 65 ASP HB3 H 3.050 0.02 2
571 62 65 ASP C C 176.567 0.2 1
572 62 65 ASP CA C 53.022 0.2 1
573 62 65 ASP CB C 42.537 0.2 1
574 62 65 ASP N N 123.284 0.1 1
575 63 66 GLU H H 8.643 0.02 1
576 63 66 GLU HA H 4.118 0.02 1
577 63 66 GLU HB2 H 2.045 0.02 1
578 63 66 GLU HB3 H 2.045 0.02 1
579 63 66 GLU HG2 H 2.297 0.02 2
580 63 66 GLU HG3 H 2.297 0.02 2
581 63 66 GLU C C 177.969 0.2 1
582 63 66 GLU CA C 59.967 0.2 1
583 63 66 GLU CB C 30.036 0.2 1
584 63 66 GLU CG C 37.221 0.2 1
585 63 66 GLU N N 118.889 0.1 1
586 64 67 ASP H H 8.195 0.02 1
587 64 67 ASP HA H 4.507 0.02 1
588 64 67 ASP HB2 H 2.667 0.02 2
589 64 67 ASP HB3 H 2.740 0.02 2
590 64 67 ASP C C 178.092 0.2 1
591 64 67 ASP CA C 56.115 0.2 1
592 64 67 ASP CB C 41.208 0.2 1
593 64 67 ASP N N 119.096 0.1 1
594 65 68 ASP H H 8.264 0.02 1
595 65 68 ASP HA H 4.416 0.02 1
596 65 68 ASP HB2 H 2.655 0.02 2
597 65 68 ASP HB3 H 2.969 0.02 2
598 65 68 ASP C C 177.735 0.2 1
599 65 68 ASP CA C 56.562 0.2 1
600 65 68 ASP CB C 41.544 0.2 1
601 65 68 ASP N N 121.877 0.1 1
602 66 69 ASP H H 8.053 0.02 1
603 66 69 ASP HA H 4.488 0.02 1
604 66 69 ASP HB2 H 2.590 0.02 2
605 66 69 ASP HB3 H 2.757 0.02 2
606 66 69 ASP C C 176.730 0.2 1
607 66 69 ASP CA C 56.940 0.2 1
608 66 69 ASP CB C 41.676 0.2 1
609 66 69 ASP N N 119.496 0.1 1
610 67 70 ARG H H 7.465 0.02 1
611 67 70 ARG HA H 4.286 0.02 1
612 67 70 ARG HB2 H 1.838 0.02 2
613 67 70 ARG HB3 H 1.973 0.02 2
614 67 70 ARG HD2 H 3.189 0.02 1
615 67 70 ARG HD3 H 3.189 0.02 1
616 67 70 ARG HG2 H 1.678 0.02 1
617 67 70 ARG HG3 H 1.678 0.02 1
618 67 70 ARG C C 175.771 0.2 1
619 67 70 ARG CA C 56.663 0.2 1
620 67 70 ARG CB C 31.400 0.2 1
621 67 70 ARG CD C 43.963 0.2 1
622 67 70 ARG CG C 28.115 0.2 1
623 67 70 ARG N N 116.079 0.1 1
624 68 71 ASP H H 7.707 0.02 1
625 68 71 ASP HA H 4.566 0.02 1
626 68 71 ASP HB2 H 2.621 0.02 2
627 68 71 ASP HB3 H 3.113 0.02 2
628 68 71 ASP C C 176.130 0.2 1
629 68 71 ASP CA C 54.603 0.2 1
630 68 71 ASP CB C 41.875 0.2 1
631 68 71 ASP N N 121.677 0.1 1
632 69 72 VAL H H 8.255 0.02 1
633 69 72 VAL HA H 3.563 0.02 1
634 69 72 VAL HB H 2.025 0.02 1
635 69 72 VAL HG1 H 0.989 0.02 2
636 69 72 VAL HG2 H 1.038 0.02 2
637 69 72 VAL C C 177.564 0.2 1
638 69 72 VAL CA C 66.584 0.2 1
639 69 72 VAL CB C 32.660 0.2 1
640 69 72 VAL CG1 C 21.399 0.2 2
641 69 72 VAL CG2 C 22.302 0.2 2
642 69 72 VAL N N 125.615 0.1 1
643 70 73 ALA H H 8.042 0.02 1
644 70 73 ALA HA H 4.068 0.02 1
645 70 73 ALA HB H 1.468 0.02 1
646 70 73 ALA C C 180.505 0.2 1
647 70 73 ALA CA C 55.550 0.2 1
648 70 73 ALA CB C 18.428 0.2 1
649 70 73 ALA N N 121.980 0.1 1
650 71 74 LEU H H 7.755 0.02 1
651 71 74 LEU HA H 3.906 0.02 1
652 71 74 LEU HB2 H 1.338 0.02 1
653 71 74 LEU HB3 H 1.338 0.02 1
654 71 74 LEU HD1 H 0.205 0.02 2
655 71 74 LEU HD2 H 0.303 0.02 2
656 71 74 LEU HG H 1.498 0.02 1
657 71 74 LEU CA C 57.898 0.2 1
658 71 74 LEU CB C 44.639 0.2 1
659 71 74 LEU CD1 C 25.215 0.2 2
660 71 74 LEU CD2 C 23.887 0.2 2
661 71 74 LEU N N 120.371 0.1 1
662 72 75 GLN H H 8.799 0.02 1
663 72 75 GLN HA H 4.148 0.02 1
664 72 75 GLN HB2 H 1.867 0.02 1
665 72 75 GLN HB3 H 1.867 0.02 1
666 72 75 GLN HG2 H 2.511 0.02 1
667 72 75 GLN HG3 H 2.511 0.02 1
668 72 75 GLN C C 176.507 0.2 1
669 72 75 GLN CA C 59.427 0.2 1
670 72 75 GLN CB C 29.718 0.2 1
671 72 75 GLN CG C 37.077 0.2 1
672 72 75 GLN N N 120.090 0.1 1
673 73 76 ILE H H 8.586 0.02 1
674 73 76 ILE HA H 4.376 0.02 1
675 73 76 ILE HB H 1.916 0.02 1
676 73 76 ILE HD1 H 0.921 0.02 1
677 73 76 ILE HG2 H 0.763 0.02 1
678 73 76 ILE C C 178.589 0.2 1
679 73 76 ILE CA C 55.655 0.2 1
680 73 76 ILE CB C 33.677 0.2 1
681 73 76 ILE CD1 C 15.489 0.2 1
682 73 76 ILE CG2 C 18.181 0.2 1
683 73 76 ILE N N 121.902 0.1 1
684 74 77 HIS H H 7.477 0.02 1
685 74 77 HIS HA H 3.871 0.02 1
686 74 77 HIS HB2 H 2.797 0.02 2
687 74 77 HIS HB3 H 3.173 0.02 2
688 74 77 HIS HD2 H 6.880 0.02 1
689 74 77 HIS C C 178.499 0.2 1
690 74 77 HIS CA C 57.883 0.2 1
691 74 77 HIS CD2 C 120.323 0.2 1
692 74 77 HIS N N 119.219 0.1 1
693 75 78 PHE H H 8.934 0.02 1
694 75 78 PHE HA H 4.391 0.02 1
695 75 78 PHE HB2 H 3.265 0.02 1
696 75 78 PHE HB3 H 3.265 0.02 1
697 75 78 PHE HD1 H 7.084 0.02 3
698 75 78 PHE HE1 H 7.182 0.02 3
699 75 78 PHE HZ H 7.388 0.02 1
700 75 78 PHE C C 178.617 0.2 1
701 75 78 PHE CA C 59.893 0.2 1
702 75 78 PHE CB C 37.646 0.2 1
703 75 78 PHE CD1 C 129.588 0.2 3
704 75 78 PHE CE1 C 131.485 0.2 3
705 75 78 PHE CZ C 129.136 0.2 1
706 75 78 PHE N N 118.972 0.1 1
707 76 79 THR H H 8.507 0.02 1
708 76 79 THR HA H 3.884 0.02 1
709 76 79 THR HB H 4.325 0.02 1
710 76 79 THR HG2 H 1.285 0.02 1
711 76 79 THR C C 176.592 0.2 1
712 76 79 THR CA C 67.952 0.2 1
713 76 79 THR CB C 69.396 0.2 1
714 76 79 THR CG2 C 22.496 0.2 1
715 76 79 THR N N 117.527 0.1 1
716 77 80 LEU H H 7.853 0.02 1
717 77 80 LEU HA H 4.118 0.02 1
718 77 80 LEU HB2 H 1.706 0.02 4
719 77 80 LEU HB3 H 1.489 0.02 4
720 77 80 LEU HD1 H 0.797 0.02 2
721 77 80 LEU HD2 H 0.853 0.02 2
722 77 80 LEU HG H 1.888 0.02 4
723 77 80 LEU C C 178.413 0.2 1
724 77 80 LEU CA C 57.855 0.2 1
725 77 80 LEU CB C 41.692 0.2 1
726 77 80 LEU N N 123.567 0.1 1
727 78 81 ILE H H 8.009 0.02 1
728 78 81 ILE HA H 3.826 0.02 1
729 78 81 ILE HB H 2.534 0.02 1
730 78 81 ILE HD1 H 0.741 0.02 1
731 78 81 ILE HG2 H 0.874 0.02 1
732 78 81 ILE C C 179.289 0.2 1
733 78 81 ILE CA C 59.122 0.2 1
734 78 81 ILE CB C 34.023 0.2 1
735 78 81 ILE CD1 C 14.948 0.2 1
736 78 81 ILE CG2 C 18.265 0.2 1
737 78 81 ILE N N 116.506 0.1 1
738 79 82 GLN H H 8.706 0.02 1
739 79 82 GLN HA H 4.200 0.02 1
740 79 82 GLN HB2 H 2.150 0.02 1
741 79 82 GLN HB3 H 2.150 0.02 1
742 79 82 GLN HG2 H 2.312 0.02 1
743 79 82 GLN HG3 H 2.312 0.02 1
744 79 82 GLN C C 177.949 0.2 1
745 79 82 GLN CA C 59.528 0.2 1
746 79 82 GLN CB C 29.254 0.2 1
747 79 82 GLN CG C 35.390 0.2 1
748 79 82 GLN N N 119.676 0.1 1
749 80 83 ALA H H 8.064 0.02 1
750 80 83 ALA HA H 4.183 0.02 1
751 80 83 ALA HB H 1.418 0.02 1
752 80 83 ALA C C 180.140 0.2 1
753 80 83 ALA CA C 55.812 0.2 1
754 80 83 ALA CB C 18.599 0.2 1
755 80 83 ALA N N 122.200 0.1 1
756 81 84 PHE H H 8.279 0.02 1
757 81 84 PHE HA H 4.267 0.02 1
758 81 84 PHE HB2 H 3.119 0.02 2
759 81 84 PHE HB3 H 3.285 0.02 2
760 81 84 PHE HD1 H 7.149 0.02 3
761 81 84 PHE HE1 H 7.276 0.02 3
762 81 84 PHE HZ H 7.149 0.02 1
763 81 84 PHE C C 180.168 0.2 1
764 81 84 PHE CA C 61.839 0.2 1
765 81 84 PHE CB C 40.720 0.2 1
766 81 84 PHE CD1 C 131.648 0.2 3
767 81 84 PHE CE1 C 131.407 0.2 3
768 81 84 PHE CZ C 132.958 0.2 1
769 81 84 PHE N N 117.991 0.1 1
770 82 85 CYS H H 8.640 0.02 1
771 82 85 CYS HA H 4.108 0.02 1
772 82 85 CYS HB2 H 2.889 0.02 1
773 82 85 CYS HB3 H 2.889 0.02 1
774 82 85 CYS C C 176.960 0.2 1
775 82 85 CYS CA C 65.675 0.2 1
776 82 85 CYS CB C 27.064 0.2 1
777 82 85 CYS N N 117.718 0.1 1
778 83 86 CYS H H 8.555 0.02 1
779 83 86 CYS HA H 4.350 0.02 1
780 83 86 CYS HB2 H 2.939 0.02 2
781 83 86 CYS HB3 H 3.015 0.02 2
782 83 86 CYS C C 177.871 0.2 1
783 83 86 CYS CA C 63.472 0.2 1
784 83 86 CYS CB C 27.051 0.2 1
785 83 86 CYS N N 118.894 0.1 1
786 84 87 GLU H H 8.135 0.02 1
787 84 87 GLU HA H 4.123 0.02 1
788 84 87 GLU HB2 H 1.989 0.02 1
789 84 87 GLU HB3 H 1.989 0.02 1
790 84 87 GLU HG2 H 2.295 0.02 1
791 84 87 GLU HG3 H 2.295 0.02 1
792 84 87 GLU C C 176.967 0.2 1
793 84 87 GLU CA C 58.925 0.2 1
794 84 87 GLU CB C 30.278 0.2 1
795 84 87 GLU CG C 36.705 0.2 1
796 84 87 GLU N N 118.534 0.1 1
797 85 88 ASN H H 7.291 0.02 1
798 85 88 ASN HA H 4.832 0.02 1
799 85 88 ASN HB2 H 2.840 0.02 1
800 85 88 ASN HB3 H 2.840 0.02 1
801 85 88 ASN C C 172.504 0.2 1
802 85 88 ASN CA C 54.496 0.2 1
803 85 88 ASN CB C 40.889 0.2 1
804 85 88 ASN N N 113.295 0.1 1
805 86 89 ASP H H 7.646 0.02 1
806 86 89 ASP HA H 4.347 0.02 1
807 86 89 ASP HB2 H 2.516 0.02 2
808 86 89 ASP HB3 H 3.063 0.02 2
809 86 89 ASP C C 174.528 0.2 1
810 86 89 ASP CA C 56.068 0.2 1
811 86 89 ASP CB C 39.836 0.2 1
812 86 89 ASP N N 118.464 0.1 1
813 87 90 ILE H H 8.451 0.02 1
814 87 90 ILE HA H 4.171 0.02 1
815 87 90 ILE HB H 1.456 0.02 1
816 87 90 ILE HD1 H 0.894 0.02 1
817 87 90 ILE HG12 H 1.107 0.02 2
818 87 90 ILE HG2 H 0.839 0.02 1
819 87 90 ILE C C 176.325 0.2 1
820 87 90 ILE CA C 60.626 0.2 1
821 87 90 ILE CB C 40.274 0.2 1
822 87 90 ILE CD1 C 14.778 0.2 1
823 87 90 ILE CG1 C 27.910 0.2 1
824 87 90 ILE CG2 C 18.167 0.2 1
825 87 90 ILE N N 119.386 0.1 1
826 88 91 ASN H H 8.255 0.02 1
827 88 91 ASN HA H 4.383 0.02 1
828 88 91 ASN HB2 H 2.770 0.02 2
829 88 91 ASN HB3 H 2.819 0.02 2
830 88 91 ASN HD21 H 7.023 0.02 2
831 88 91 ASN HD22 H 7.997 0.02 2
832 88 91 ASN C C 172.314 0.2 1
833 88 91 ASN CA C 56.128 0.2 1
834 88 91 ASN CB C 39.668 0.2 1
835 88 91 ASN N N 125.964 0.1 1
836 88 91 ASN ND2 N 116.201 0.1 1
837 89 92 ILE H H 7.940 0.02 1
838 89 92 ILE HA H 5.755 0.02 1
839 89 92 ILE HB H 1.689 0.02 1
840 89 92 ILE HD1 H 1.070 0.02 1
841 89 92 ILE HG12 H 1.480 0.02 2
842 89 92 ILE HG2 H 0.710 0.02 1
843 89 92 ILE C C 172.677 0.2 1
844 89 92 ILE CA C 58.565 0.2 1
845 89 92 ILE CB C 42.075 0.2 1
846 89 92 ILE CD1 C 16.133 0.2 1
847 89 92 ILE CG1 C 27.995 0.2 1
848 89 92 ILE CG2 C 17.429 0.2 1
849 89 92 ILE N N 122.154 0.1 1
850 90 93 LEU H H 8.471 0.02 1
851 90 93 LEU HA H 4.758 0.02 1
852 90 93 LEU HB2 H 1.471 0.02 2
853 90 93 LEU HB3 H 1.561 0.02 2
854 90 93 LEU HD1 H 0.902 0.02 2
855 90 93 LEU HD2 H 0.906 0.02 2
856 90 93 LEU C C 173.968 0.2 1
857 90 93 LEU CA C 54.333 0.2 1
858 90 93 LEU CB C 47.050 0.2 1
859 90 93 LEU CD1 C 22.003 0.2 2
860 90 93 LEU CD2 C 27.457 0.2 2
861 90 93 LEU CG C 27.173 0.2 1
862 90 93 LEU N N 123.254 0.1 1
863 91 94 ARG H H 8.868 0.02 1
864 91 94 ARG HA H 5.256 0.02 1
865 91 94 ARG HB2 H 1.407 0.02 2
866 91 94 ARG HB3 H 1.732 0.02 2
867 91 94 ARG HD2 H 3.065 0.02 1
868 91 94 ARG HD3 H 3.065 0.02 1
869 91 94 ARG HG2 H 1.348 0.02 1
870 91 94 ARG HG3 H 1.348 0.02 1
871 91 94 ARG C C 174.670 0.2 1
872 91 94 ARG CA C 54.226 0.2 1
873 91 94 ARG CB C 33.701 0.2 1
874 91 94 ARG CG C 28.632 0.2 1
875 91 94 ARG N N 121.280 0.1 1
876 92 95 VAL H H 8.745 0.02 1
877 92 95 VAL HA H 5.038 0.02 1
878 92 95 VAL HB H 1.963 0.02 1
879 92 95 VAL HG1 H 0.765 0.02 2
880 92 95 VAL HG2 H 0.903 0.02 2
881 92 95 VAL C C 176.717 0.2 1
882 92 95 VAL CA C 60.826 0.2 1
883 92 95 VAL CB C 32.002 0.2 1
884 92 95 VAL CG1 C 22.670 0.2 2
885 92 95 VAL CG2 C 22.609 0.2 2
886 92 95 VAL N N 123.483 0.1 1
887 93 96 SER H H 8.841 0.02 1
888 93 96 SER HA H 4.434 0.02 1
889 93 96 SER HB2 H 3.690 0.02 2
890 93 96 SER HB3 H 4.040 0.02 2
891 93 96 SER C C 174.116 0.2 1
892 93 96 SER CA C 59.950 0.2 1
893 93 96 SER CB C 64.150 0.2 1
894 93 96 SER N N 120.726 0.1 1
895 94 97 ASN H H 8.752 0.02 1
896 94 97 ASN HA H 5.276 0.02 1
897 94 97 ASN HB2 H 2.776 0.02 1
898 94 97 ASN HB3 H 2.776 0.02 1
899 94 97 ASN C C 172.958 0.2 1
900 94 97 ASN CA C 51.290 0.2 1
901 94 97 ASN CB C 36.435 0.2 1
902 94 97 ASN N N 116.056 0.1 1
903 95 98 PRO HB2 H 2.117 0.02 1
904 95 98 PRO HB3 H 2.117 0.02 1
905 95 98 PRO HD2 H 3.449 0.02 2
906 95 98 PRO HD3 H 3.813 0.02 2
907 95 98 PRO C C 178.005 0.2 1
908 95 98 PRO CA C 65.258 0.2 1
909 95 98 PRO CB C 32.690 0.2 1
910 95 98 PRO CD C 51.610 0.2 1
911 96 99 GLY H H 9.199 0.02 1
912 96 99 GLY HA2 H 3.799 0.02 2
913 96 99 GLY HA3 H 3.875 0.02 2
914 96 99 GLY C C 176.623 0.2 1
915 96 99 GLY CA C 47.686 0.2 1
916 96 99 GLY N N 108.980 0.1 1
917 97 100 ARG H H 7.474 0.02 1
918 97 100 ARG HA H 4.226 0.02 1
919 97 100 ARG HB2 H 1.923 0.02 2
920 97 100 ARG HB3 H 2.184 0.02 2
921 97 100 ARG HD2 H 3.329 0.02 1
922 97 100 ARG HD3 H 3.329 0.02 1
923 97 100 ARG C C 177.838 0.2 1
924 97 100 ARG CA C 57.095 0.2 1
925 97 100 ARG CB C 30.114 0.2 1
926 97 100 ARG CD C 43.536 0.2 1
927 97 100 ARG N N 121.730 0.1 1
928 98 101 LEU H H 6.949 0.02 1
929 98 101 LEU HA H 3.878 0.02 1
930 98 101 LEU HB2 H 1.195 0.02 1
931 98 101 LEU HB3 H 1.195 0.02 1
932 98 101 LEU HD1 H 0.753 0.02 2
933 98 101 LEU HD2 H 0.786 0.02 2
934 98 101 LEU HG H 1.523 0.02 1
935 98 101 LEU C C 177.244 0.2 1
936 98 101 LEU CA C 58.663 0.2 1
937 98 101 LEU CB C 42.564 0.2 1
938 98 101 LEU CD1 C 26.673 0.2 2
939 98 101 LEU CD2 C 25.444 0.2 2
940 98 101 LEU CG C 27.551 0.2 1
941 98 101 LEU N N 119.686 0.1 1
942 99 102 ALA H H 7.823 0.02 1
943 99 102 ALA HA H 3.794 0.02 1
944 99 102 ALA HB H 1.456 0.02 1
945 99 102 ALA C C 179.271 0.2 1
946 99 102 ALA CA C 56.008 0.2 1
947 99 102 ALA CB C 18.702 0.2 1
948 99 102 ALA N N 118.791 0.1 1
949 100 103 GLU H H 7.337 0.02 1
950 100 103 GLU HA H 3.965 0.02 1
951 100 103 GLU HB2 H 2.048 0.02 1
952 100 103 GLU HB3 H 2.048 0.02 1
953 100 103 GLU HG2 H 2.232 0.02 2
954 100 103 GLU HG3 H 2.475 0.02 2
955 100 103 GLU C C 179.222 0.2 1
956 100 103 GLU CA C 59.347 0.2 1
957 100 103 GLU CB C 30.761 0.2 1
958 100 103 GLU CG C 37.162 0.2 1
959 100 103 GLU N N 115.992 0.1 1
960 101 104 LEU H H 7.747 0.02 1
961 101 104 LEU HA H 4.072 0.02 1
962 101 104 LEU HB2 H 1.474 0.02 2
963 101 104 LEU HB3 H 1.778 0.02 2
964 101 104 LEU HD1 H 0.773 0.02 2
965 101 104 LEU HD2 H 0.869 0.02 2
966 101 104 LEU HG H 1.691 0.02 1
967 101 104 LEU C C 177.890 0.2 1
968 101 104 LEU CA C 57.935 0.2 1
969 101 104 LEU CB C 43.585 0.2 1
970 101 104 LEU CD1 C 26.978 0.2 2
971 101 104 LEU CD2 C 24.802 0.2 2
972 101 104 LEU CG C 27.688 0.2 1
973 101 104 LEU N N 118.611 0.1 1
974 102 105 LEU H H 7.646 0.02 1
975 102 105 LEU HA H 4.311 0.02 1
976 102 105 LEU HB2 H 1.525 0.02 2
977 102 105 LEU HB3 H 1.705 0.02 2
978 102 105 LEU HD1 H 0.748 0.02 2
979 102 105 LEU HD2 H 0.799 0.02 2
980 102 105 LEU HG H 1.848 0.02 1
981 102 105 LEU C C 176.408 0.2 1
982 102 105 LEU CA C 55.934 0.2 1
983 102 105 LEU CB C 42.304 0.2 1
984 102 105 LEU CD1 C 25.105 0.2 2
985 102 105 LEU CD2 C 23.963 0.2 2
986 102 105 LEU CG C 27.786 0.2 1
987 102 105 LEU N N 114.538 0.1 1
988 103 106 LEU H H 7.655 0.02 1
989 103 106 LEU HA H 4.296 0.02 1
990 103 106 LEU HB2 H 1.527 0.02 2
991 103 106 LEU HB3 H 1.849 0.02 2
992 103 106 LEU HD1 H 0.830 0.02 2
993 103 106 LEU HD2 H 0.871 0.02 2
994 103 106 LEU HG H 1.607 0.02 1
995 103 106 LEU C C 177.321 0.2 1
996 103 106 LEU CA C 55.705 0.2 1
997 103 106 LEU CB C 41.279 0.2 1
998 103 106 LEU CD1 C 23.716 0.2 2
999 103 106 LEU CD2 C 25.814 0.2 2
1000 103 106 LEU CG C 27.263 0.2 1
1001 103 106 LEU N N 117.293 0.1 1
1002 104 107 LEU H H 7.866 0.02 1
1003 104 107 LEU HA H 4.286 0.02 1
1004 104 107 LEU HB2 H 1.657 0.02 1
1005 104 107 LEU HB3 H 1.657 0.02 1
1006 104 107 LEU HD1 H 0.843 0.02 2
1007 104 107 LEU HD2 H 0.899 0.02 2
1008 104 107 LEU HG H 1.668 0.02 1
1009 104 107 LEU C C 177.622 0.2 1
1010 104 107 LEU CA C 56.485 0.2 1
1011 104 107 LEU CB C 42.990 0.2 1
1012 104 107 LEU CD1 C 24.323 0.2 2
1013 104 107 LEU CD2 C 26.063 0.2 2
1014 104 107 LEU CG C 27.328 0.2 1
1015 104 107 LEU N N 120.470 0.1 1
1016 105 108 GLU H H 8.299 0.02 1
1017 105 108 GLU HA H 4.350 0.02 1
1018 105 108 GLU HB2 H 1.920 0.02 1
1019 105 108 GLU HB3 H 1.920 0.02 1
1020 105 108 GLU HG2 H 2.214 0.02 1
1021 105 108 GLU HG3 H 2.214 0.02 1
1022 105 108 GLU C C 176.564 0.2 1
1023 105 108 GLU CA C 57.025 0.2 1
1024 105 108 GLU CB C 30.921 0.2 1
1025 105 108 GLU CG C 37.089 0.2 1
1026 105 108 GLU N N 120.297 0.1 1
1027 106 109 THR H H 8.046 0.02 1
1028 106 109 THR HA H 4.367 0.02 1
1029 106 109 THR HB H 4.262 0.02 1
1030 106 109 THR HG2 H 1.165 0.02 1
1031 106 109 THR C C 174.450 0.2 1
1032 106 109 THR CA C 62.490 0.2 1
1033 106 109 THR CB C 70.704 0.2 1
1034 106 109 THR CG2 C 21.995 0.2 1
1035 106 109 THR N N 114.071 0.1 1
1036 107 110 ASP H H 8.427 0.02 1
1037 107 110 ASP HA H 4.561 0.02 1
1038 107 110 ASP HB2 H 2.695 0.02 1
1039 107 110 ASP HB3 H 2.695 0.02 1
1040 107 110 ASP C C 175.850 0.2 1
1041 107 110 ASP CA C 55.051 0.2 1
1042 107 110 ASP CB C 41.848 0.2 1
1043 107 110 ASP N N 122.471 0.1 1
1044 108 111 ALA H H 8.208 0.02 1
1045 108 111 ALA HA H 4.317 0.02 1
1046 108 111 ALA HB H 1.397 0.02 1
1047 108 111 ALA C C 177.855 0.2 1
1048 108 111 ALA CA C 53.361 0.2 1
1049 108 111 ALA CB C 20.114 0.2 1
1050 108 111 ALA N N 123.922 0.1 1
1051 109 112 GLY H H 8.173 0.02 1
1052 109 112 GLY HA2 H 3.661 0.02 2
1053 109 112 GLY HA3 H 4.109 0.02 2
1054 109 112 GLY C C 172.125 0.2 1
1055 109 112 GLY CA C 45.167 0.2 1
1056 109 112 GLY N N 107.991 0.1 1
1057 110 113 PRO HA H 4.419 0.02 1
1058 110 113 PRO HB2 H 1.916 0.02 2
1059 110 113 PRO HB3 H 2.241 0.02 2
1060 110 113 PRO HD2 H 3.505 0.02 2
1061 110 113 PRO HD3 H 3.542 0.02 2
1062 110 113 PRO HG2 H 1.983 0.02 1
1063 110 113 PRO HG3 H 1.983 0.02 1
1064 110 113 PRO C C 177.045 0.2 1
1065 110 113 PRO CA C 63.981 0.2 1
1066 110 113 PRO CB C 32.658 0.2 1
1067 110 113 PRO CD C 50.332 0.2 1
1068 110 113 PRO CG C 27.928 0.2 1
1069 111 114 ALA H H 8.386 0.02 1
1070 111 114 ALA HA H 4.320 0.02 1
1071 111 114 ALA HB H 1.392 0.02 1
1072 111 114 ALA C C 177.749 0.2 1
1073 111 114 ALA CA C 53.084 0.2 1
1074 111 114 ALA CB C 19.583 0.2 1
1075 111 114 ALA N N 123.596 0.1 1
1076 112 115 ALA H H 8.210 0.02 1
1077 112 115 ALA HA H 4.294 0.02 1
1078 112 115 ALA HB H 1.404 0.02 1
1079 112 115 ALA C C 177.903 0.2 1
1080 112 115 ALA CA C 52.936 0.2 1
1081 112 115 ALA CB C 19.758 0.2 1
1082 112 115 ALA N N 122.899 0.1 1
1083 113 116 SER H H 8.205 0.02 1
1084 113 116 SER HA H 4.400 0.02 1
1085 113 116 SER HB2 H 3.886 0.02 1
1086 113 116 SER HB3 H 3.886 0.02 1
1087 113 116 SER C C 176.188 0.2 1
1088 113 116 SER CA C 59.067 0.2 1
1089 113 116 SER CB C 64.446 0.2 1
1090 113 116 SER N N 114.645 0.1 1
1091 114 117 GLU H H 8.416 0.02 1
1092 114 117 GLU HA H 4.289 0.02 1
1093 114 117 GLU HB2 H 2.004 0.02 1
1094 114 117 GLU HB3 H 2.004 0.02 1
1095 114 117 GLU HG2 H 2.251 0.02 1
1096 114 117 GLU HG3 H 2.251 0.02 1
1097 114 117 GLU C C 177.012 0.2 1
1098 114 117 GLU CA C 57.215 0.2 1
1099 114 117 GLU CB C 30.707 0.2 1
1100 114 117 GLU CG C 36.768 0.2 1
1101 114 117 GLU N N 122.203 0.1 1
1102 115 118 GLY H H 8.441 0.02 1
1103 115 118 GLY HA2 H 3.964 0.02 2
1104 115 118 GLY HA3 H 3.985 0.02 2
1105 115 118 GLY C C 173.843 0.2 1
1106 115 118 GLY CA C 46.020 0.2 1
1107 115 118 GLY N N 110.219 0.1 1
1108 116 119 ALA H H 8.032 0.02 1
1109 116 119 ALA HA H 4.349 0.02 1
1110 116 119 ALA HB H 1.368 0.02 1
1111 116 119 ALA C C 177.642 0.2 1
1112 116 119 ALA CA C 52.978 0.2 1
1113 116 119 ALA CB C 20.127 0.2 1
1114 116 119 ALA N N 123.498 0.1 1
1115 117 120 GLU H H 8.459 0.02 1
1116 117 120 GLU HA H 4.233 0.02 1
1117 117 120 GLU HB2 H 1.966 0.02 1
1118 117 120 GLU HB3 H 1.966 0.02 1
1119 117 120 GLU HG2 H 2.256 0.02 1
1120 117 120 GLU HG3 H 2.256 0.02 1
1121 117 120 GLU C C 176.358 0.2 1
1122 117 120 GLU CA C 57.390 0.2 1
1123 117 120 GLU CB C 30.467 0.2 1
1124 117 120 GLU CG C 37.005 0.2 1
1125 117 120 GLU N N 120.187 0.1 1
1126 118 121 GLN H H 8.274 0.02 1
1127 118 121 GLN HA H 4.203 0.02 1
1128 118 121 GLN HB2 H 1.879 0.02 1
1129 118 121 GLN HB3 H 1.879 0.02 1
1130 118 121 GLN HG2 H 2.274 0.02 1
1131 118 121 GLN HG3 H 2.274 0.02 1
1132 118 121 GLN C C 171.764 0.2 1
1133 118 121 GLN CA C 57.463 0.2 1
1134 118 121 GLN CB C 30.816 0.2 1
1135 118 121 GLN CG C 36.908 0.2 1
1136 118 121 GLN N N 121.455 0.1 1
1137 119 122 PRO HD2 H 3.506 0.02 2
1138 119 122 PRO HD3 H 3.541 0.02 2
1139 119 122 PRO CD C 50.141 0.2 1
1140 120 123 PRO HA H 4.081 0.02 1
1141 120 123 PRO HD2 H 3.608 0.02 2
1142 120 123 PRO HD3 H 3.634 0.02 2
1143 120 123 PRO C C 175.876 0.2 1
1144 120 123 PRO CA C 63.269 0.2 1
1145 120 123 PRO CD C 50.557 0.2 1
1146 121 124 ASP H H 8.116 0.02 1
1147 121 124 ASP C C 174.135 0.2 1
1148 121 124 ASP CA C 54.840 0.2 1
1149 121 124 ASP CB C 44.063 0.2 1
1150 121 124 ASP N N 119.169 0.1 1
1151 122 125 LEU H H 8.049 0.02 1
1152 122 125 LEU HA H 4.403 0.02 1
1153 122 125 LEU C C 176.454 0.2 1
1154 122 125 LEU CA C 53.488 0.2 1
1155 122 125 LEU CB C 41.907 0.2 1
1156 122 125 LEU N N 121.520 0.1 1
1157 123 126 HIS H H 8.624 0.02 1
1158 123 126 HIS HA H 5.110 0.02 1
1159 123 126 HIS HB2 H 3.382 0.02 2
1160 123 126 HIS HB3 H 3.697 0.02 2
1161 123 126 HIS HD2 H 7.727 0.02 1
1162 123 126 HIS HE1 H 7.885 0.02 1
1163 123 126 HIS C C 174.914 0.2 1
1164 123 126 HIS CA C 58.941 0.2 1
1165 123 126 HIS CB C 29.831 0.2 1
1166 123 126 HIS CD2 C 121.000 0.2 1
1167 123 126 HIS CE1 C 138.292 0.2 1
1168 123 126 HIS N N 113.493 0.1 1
1169 124 127 CYS H H 7.110 0.02 1
1170 124 127 CYS HA H 5.469 0.02 1
1171 124 127 CYS HB2 H 2.740 0.02 1
1172 124 127 CYS HB3 H 2.740 0.02 1
1173 124 127 CYS C C 172.378 0.2 1
1174 124 127 CYS CA C 57.376 0.2 1
1175 124 127 CYS CB C 30.974 0.2 1
1176 124 127 CYS N N 114.283 0.1 1
1177 125 128 VAL H H 9.069 0.02 1
1178 125 128 VAL HA H 4.832 0.02 1
1179 125 128 VAL HB H 1.828 0.02 1
1180 125 128 VAL HG1 H 0.843 0.02 2
1181 125 128 VAL HG2 H 0.917 0.02 2
1182 125 128 VAL C C 173.968 0.2 1
1183 125 128 VAL CA C 61.338 0.2 1
1184 125 128 VAL CB C 37.046 0.2 1
1185 125 128 VAL CG1 C 22.230 0.2 2
1186 125 128 VAL CG2 C 22.573 0.2 2
1187 125 128 VAL N N 128.234 0.1 1
1188 126 129 LEU H H 9.265 0.02 1
1189 126 129 LEU HA H 5.402 0.02 1
1190 126 129 LEU HB2 H 1.534 0.02 2
1191 126 129 LEU HB3 H 1.568 0.02 2
1192 126 129 LEU HD1 H 0.656 0.02 2
1193 126 129 LEU C C 175.994 0.2 1
1194 126 129 LEU CA C 53.357 0.2 1
1195 126 129 LEU CB C 44.155 0.2 1
1196 126 129 LEU CD1 C 22.512 0.2 2
1197 126 129 LEU N N 122.491 0.1 1
1198 127 130 VAL H H 8.669 0.02 1
1199 127 130 VAL HA H 4.676 0.02 1
1200 127 130 VAL HB H 1.739 0.02 1
1201 127 130 VAL HG1 H 0.653 0.02 2
1202 127 130 VAL HG2 H 0.814 0.02 2
1203 127 130 VAL C C 176.145 0.2 1
1204 127 130 VAL CA C 62.218 0.2 1
1205 127 130 VAL CB C 33.672 0.2 1
1206 127 130 VAL CG1 C 21.232 0.2 2
1207 127 130 VAL CG2 C 22.389 0.2 2
1208 127 130 VAL N N 122.090 0.1 1
1209 128 131 THR H H 8.359 0.02 1
1210 128 131 THR HA H 5.308 0.02 1
1211 128 131 THR HB H 4.351 0.02 1
1212 128 131 THR HG2 H 0.935 0.02 1
1213 128 131 THR C C 174.089 0.2 1
1214 128 131 THR CA C 60.589 0.2 1
1215 128 131 THR CB C 71.963 0.2 1
1216 128 131 THR CG2 C 22.614 0.2 1
1217 128 131 THR N N 119.013 0.1 1
1218 129 132 ASN H H 8.159 0.02 1
1219 129 132 ASN HA H 5.061 0.02 1
1220 129 132 ASN HB2 H 2.690 0.02 2
1221 129 132 ASN HB3 H 2.987 0.02 2
1222 129 132 ASN HD21 H 7.063 0.02 2
1223 129 132 ASN HD22 H 7.690 0.02 2
1224 129 132 ASN CA C 52.531 0.2 1
1225 129 132 ASN CB C 40.052 0.2 1
1226 129 132 ASN N N 115.566 0.1 1
1227 129 132 ASN ND2 N 112.428 0.1 1
1228 130 133 PRO HD2 H 3.497 0.02 2
1229 130 133 PRO HD3 H 3.547 0.02 2
1230 130 133 PRO CD C 50.983 0.2 1
1231 135 138 TRP HD1 H 7.496 0.02 1
1232 135 138 TRP HE1 H 10.268 0.02 1
1233 135 138 TRP HE3 H 7.538 0.02 1
1234 135 138 TRP HH2 H 7.173 0.02 1
1235 135 138 TRP HZ2 H 7.349 0.02 1
1236 135 138 TRP HZ3 H 7.039 0.02 1
1237 135 138 TRP CD1 C 126.913 0.2 1
1238 135 138 TRP CE3 C 120.764 0.2 1
1239 135 138 TRP CH2 C 124.134 0.2 1
1240 135 138 TRP CZ2 C 114.322 0.2 1
1241 135 138 TRP CZ3 C 121.451 0.2 1
1242 135 138 TRP NE1 N 129.336 0.1 1
1243 138 141 PRO HA H 3.966 0.02 1
1244 138 141 PRO HB2 H 2.055 0.02 1
1245 138 141 PRO HB3 H 2.055 0.02 1
1246 138 141 PRO HD2 H 3.619 0.02 1
1247 138 141 PRO HD3 H 3.619 0.02 1
1248 138 141 PRO HG2 H 2.296 0.02 2
1249 138 141 PRO HG3 H 2.388 0.02 2
1250 138 141 PRO C C 178.709 0.2 1
1251 138 141 PRO CA C 65.713 0.2 1
1252 138 141 PRO CB C 32.668 0.2 1
1253 138 141 PRO CD C 50.720 0.2 1
1254 138 141 PRO CG C 27.941 0.2 1
1255 139 142 ALA H H 8.465 0.02 1
1256 139 142 ALA HA H 4.256 0.02 1
1257 139 142 ALA HB H 1.489 0.02 1
1258 139 142 ALA C C 179.436 0.2 1
1259 139 142 ALA CA C 56.112 0.2 1
1260 139 142 ALA CB C 18.744 0.2 1
1261 139 142 ALA N N 122.521 0.1 1
1262 140 143 LEU H H 7.736 0.02 1
1263 140 143 LEU HA H 3.941 0.02 1
1264 140 143 LEU HB2 H 1.262 0.02 4
1265 140 143 LEU HB3 H 1.546 0.02 4
1266 140 143 LEU HD1 H 0.672 0.02 2
1267 140 143 LEU HD2 H 0.881 0.02 2
1268 140 143 LEU HG H 1.742 0.02 4
1269 140 143 LEU C C 179.219 0.2 1
1270 140 143 LEU CA C 58.241 0.2 1
1271 140 143 LEU CB C 41.657 0.2 1
1272 140 143 LEU CD1 C 26.508 0.2 2
1273 140 143 LEU CG C 26.290 0.2 1
1274 140 143 LEU N N 118.474 0.1 1
1275 141 144 SER H H 8.322 0.02 1
1276 141 144 SER HA H 3.951 0.02 1
1277 141 144 SER HB2 H 3.907 0.02 2
1278 141 144 SER HB3 H 4.319 0.02 2
1279 141 144 SER C C 176.724 0.2 1
1280 141 144 SER CA C 63.295 0.2 1
1281 141 144 SER CB C 65.976 0.2 1
1282 141 144 SER N N 113.871 0.1 1
1283 142 145 GLN H H 7.911 0.02 1
1284 142 145 GLN HA H 4.072 0.02 1
1285 142 145 GLN HB2 H 2.066 0.02 2
1286 142 145 GLN HB3 H 2.237 0.02 2
1287 142 145 GLN HE21 H 7.210 0.02 2
1288 142 145 GLN HE22 H 6.737 0.02 2
1289 142 145 GLN HG2 H 2.330 0.02 1
1290 142 145 GLN HG3 H 2.330 0.02 1
1291 142 145 GLN C C 179.088 0.2 1
1292 142 145 GLN CA C 59.722 0.2 1
1293 142 145 GLN CB C 29.268 0.2 1
1294 142 145 GLN CG C 34.594 0.2 1
1295 142 145 GLN N N 121.070 0.1 1
1296 142 145 GLN NE2 N 110.029 0.1 1
1297 143 146 LEU H H 7.689 0.02 1
1298 143 146 LEU HA H 4.081 0.02 1
1299 143 146 LEU HB2 H 1.388 0.02 2
1300 143 146 LEU HB3 H 1.528 0.02 2
1301 143 146 LEU HD1 H 0.729 0.02 2
1302 143 146 LEU HD2 H 0.740 0.02 2
1303 143 146 LEU HG H 1.810 0.02 1
1304 143 146 LEU C C 178.485 0.2 1
1305 143 146 LEU CA C 58.471 0.2 1
1306 143 146 LEU CB C 42.606 0.2 1
1307 143 146 LEU CD1 C 25.124 0.2 2
1308 143 146 LEU CD2 C 27.219 0.2 2
1309 143 146 LEU CG C 27.044 0.2 1
1310 143 146 LEU N N 120.721 0.1 1
1311 144 147 ILE H H 8.656 0.02 1
1312 144 147 ILE HA H 3.465 0.02 1
1313 144 147 ILE HB H 1.934 0.02 1
1314 144 147 ILE HD1 H 0.801 0.02 1
1315 144 147 ILE HG12 H 1.660 0.02 2
1316 144 147 ILE HG2 H 0.932 0.02 1
1317 144 147 ILE C C 178.347 0.2 1
1318 144 147 ILE CA C 66.700 0.2 1
1319 144 147 ILE CB C 38.369 0.2 1
1320 144 147 ILE CD1 C 13.669 0.2 1
1321 144 147 ILE CG1 C 25.433 0.2 1
1322 144 147 ILE CG2 C 17.643 0.2 1
1323 144 147 ILE N N 120.893 0.1 1
1324 145 148 CYS H H 8.186 0.02 1
1325 145 148 CYS HA H 4.070 0.02 1
1326 145 148 CYS HB2 H 2.990 0.02 1
1327 145 148 CYS HB3 H 2.990 0.02 1
1328 145 148 CYS C C 176.458 0.2 1
1329 145 148 CYS CA C 64.252 0.2 1
1330 145 148 CYS CB C 26.773 0.2 1
1331 145 148 CYS N N 118.280 0.1 1
1332 146 149 PHE H H 7.976 0.02 1
1333 146 149 PHE HA H 4.367 0.02 1
1334 146 149 PHE HB2 H 3.300 0.02 1
1335 146 149 PHE HB3 H 3.300 0.02 1
1336 146 149 PHE HD1 H 7.216 0.02 3
1337 146 149 PHE HE1 H 7.223 0.02 3
1338 146 149 PHE HZ H 7.309 0.02 1
1339 146 149 PHE C C 178.649 0.2 1
1340 146 149 PHE CA C 62.168 0.2 1
1341 146 149 PHE CB C 40.220 0.2 1
1342 146 149 PHE CD1 C 131.757 0.2 3
1343 146 149 PHE CE1 C 129.929 0.2 3
1344 146 149 PHE CZ C 132.482 0.2 1
1345 146 149 PHE N N 120.214 0.1 1
1346 147 150 CYS H H 8.664 0.02 1
1347 147 150 CYS HA H 3.708 0.02 1
1348 147 150 CYS HB2 H 3.134 0.02 2
1349 147 150 CYS HB3 H 3.026 0.02 2
1350 147 150 CYS C C 176.950 0.2 1
1351 147 150 CYS CA C 65.938 0.2 1
1352 147 150 CYS CB C 27.451 0.2 1
1353 147 150 CYS N N 120.235 0.1 1
1354 148 151 ARG H H 8.381 0.02 1
1355 148 151 ARG HA H 3.832 0.02 1
1356 148 151 ARG HB2 H 1.898 0.02 1
1357 148 151 ARG HB3 H 1.898 0.02 1
1358 148 151 ARG HD2 H 3.191 0.02 1
1359 148 151 ARG HD3 H 3.191 0.02 1
1360 148 151 ARG HG2 H 1.578 0.02 1
1361 148 151 ARG HG3 H 1.578 0.02 1
1362 148 151 ARG C C 178.669 0.2 1
1363 148 151 ARG CA C 60.034 0.2 1
1364 148 151 ARG CB C 30.990 0.2 1
1365 148 151 ARG CD C 43.935 0.2 1
1366 148 151 ARG CG C 28.166 0.2 1
1367 148 151 ARG N N 120.082 0.1 1
1368 149 152 GLU H H 8.349 0.02 1
1369 149 152 GLU HA H 3.924 0.02 1
1370 149 152 GLU HB2 H 2.018 0.02 1
1371 149 152 GLU HB3 H 2.018 0.02 1
1372 149 152 GLU HG2 H 2.278 0.02 2
1373 149 152 GLU HG3 H 2.483 0.02 2
1374 149 152 GLU C C 179.020 0.2 1
1375 149 152 GLU CA C 59.670 0.2 1
1376 149 152 GLU CB C 30.002 0.2 1
1377 149 152 GLU CG C 37.138 0.2 1
1378 149 152 GLU N N 118.654 0.1 1
1379 150 153 SER H H 7.666 0.02 1
1380 150 153 SER HA H 4.155 0.02 1
1381 150 153 SER HB2 H 3.611 0.02 2
1382 150 153 SER HB3 H 3.755 0.02 2
1383 150 153 SER C C 175.775 0.2 1
1384 150 153 SER CA C 61.459 0.2 1
1385 150 153 SER CB C 63.457 0.2 1
1386 150 153 SER N N 114.199 0.1 1
1387 151 154 ARG H H 7.575 0.02 1
1388 151 154 ARG HA H 3.632 0.02 1
1389 151 154 ARG HB2 H 1.528 0.02 2
1390 151 154 ARG HB3 H 1.674 0.02 2
1391 151 154 ARG HD2 H 3.111 0.02 1
1392 151 154 ARG HD3 H 3.111 0.02 1
1393 151 154 ARG HG2 H 1.239 0.02 1
1394 151 154 ARG HG3 H 1.239 0.02 1
1395 151 154 ARG C C 178.114 0.2 1
1396 151 154 ARG CA C 59.205 0.2 1
1397 151 154 ARG CB C 29.958 0.2 1
1398 151 154 ARG CD C 44.048 0.2 1
1399 151 154 ARG CG C 27.808 0.2 1
1400 151 154 ARG N N 121.488 0.1 1
1401 152 155 TYR H H 7.683 0.02 1
1402 152 155 TYR HA H 4.491 0.02 1
1403 152 155 TYR HB2 H 2.988 0.02 1
1404 152 155 TYR HB3 H 2.988 0.02 1
1405 152 155 TYR HD1 H 7.117 0.02 3
1406 152 155 TYR HE1 H 6.782 0.02 3
1407 152 155 TYR C C 176.458 0.2 1
1408 152 155 TYR CA C 59.442 0.2 1
1409 152 155 TYR CB C 38.274 0.2 1
1410 152 155 TYR CD1 C 132.888 0.2 3
1411 152 155 TYR CE1 C 118.025 0.2 3
1412 152 155 TYR N N 118.847 0.1 1
1413 153 156 MET H H 7.570 0.02 1
1414 153 156 MET HA H 4.482 0.02 1
1415 153 156 MET HB2 H 2.023 0.02 2
1416 153 156 MET HB3 H 2.216 0.02 2
1417 153 156 MET HE H 2.125 0.02 5
1418 153 156 MET HG2 H 2.586 0.02 1
1419 153 156 MET HG3 H 2.586 0.02 1
1420 153 156 MET C C 175.306 0.2 1
1421 153 156 MET CA C 55.922 0.2 1
1422 153 156 MET CB C 32.971 0.2 1
1423 153 156 MET CE C 17.757 0.2 5
1424 153 156 MET CG C 32.675 0.2 1
1425 153 156 MET N N 117.931 0.1 1
1426 154 157 ASP H H 8.013 0.02 1
1427 154 157 ASP HA H 4.302 0.02 1
1428 154 157 ASP HB2 H 2.668 0.02 2
1429 154 157 ASP HB3 H 2.844 0.02 2
1430 154 157 ASP C C 175.150 0.2 1
1431 154 157 ASP CA C 56.128 0.2 1
1432 154 157 ASP CB C 40.631 0.2 1
1433 154 157 ASP N N 117.288 0.1 1
1434 155 158 GLN H H 7.905 0.02 1
1435 155 158 GLN HA H 4.386 0.02 1
1436 155 158 GLN HB2 H 1.853 0.02 1
1437 155 158 GLN HB3 H 1.853 0.02 1
1438 155 158 GLN HE21 H 7.217 0.02 2
1439 155 158 GLN HE22 H 6.819 0.02 2
1440 155 158 GLN HG2 H 2.124 0.02 1
1441 155 158 GLN HG3 H 2.124 0.02 1
1442 155 158 GLN C C 174.684 0.2 1
1443 155 158 GLN CA C 55.328 0.2 1
1444 155 158 GLN CB C 28.379 0.2 1
1445 155 158 GLN CG C 34.122 0.2 1
1446 155 158 GLN N N 118.184 0.1 1
1447 155 158 GLN NE2 N 113.186 0.1 1
1448 156 159 TRP H H 7.965 0.02 1
1449 156 159 TRP HA H 4.354 0.02 1
1450 156 159 TRP HB2 H 3.213 0.02 1
1451 156 159 TRP HB3 H 3.213 0.02 1
1452 156 159 TRP HD1 H 7.167 0.02 1
1453 156 159 TRP HE1 H 10.229 0.02 1
1454 156 159 TRP HE3 H 7.641 0.02 1
1455 156 159 TRP HH2 H 7.192 0.02 1
1456 156 159 TRP HZ2 H 7.466 0.02 1
1457 156 159 TRP HZ3 H 7.139 0.02 1
1458 156 159 TRP C C 175.372 0.2 1
1459 156 159 TRP CA C 58.976 0.2 1
1460 156 159 TRP CB C 30.253 0.2 1
1461 156 159 TRP CD1 C 126.475 0.2 1
1462 156 159 TRP CE3 C 120.864 0.2 1
1463 156 159 TRP CH2 C 124.484 0.2 1
1464 156 159 TRP CZ2 C 114.533 0.2 1
1465 156 159 TRP CZ3 C 122.049 0.2 1
1466 156 159 TRP N N 122.984 0.1 1
1467 156 159 TRP NE1 N 129.624 0.1 1
1468 157 160 VAL H H 7.871 0.02 1
1469 157 160 VAL HA H 4.307 0.02 1
1470 157 160 VAL HB H 1.918 0.02 1
1471 157 160 VAL HG1 H 0.665 0.02 2
1472 157 160 VAL HG2 H 0.681 0.02 2
1473 157 160 VAL C C 175.603 0.2 1
1474 157 160 VAL CA C 59.974 0.2 1
1475 157 160 VAL CB C 32.806 0.2 1
1476 157 160 VAL CG1 C 20.764 0.2 2
1477 157 160 VAL CG2 C 22.908 0.2 2
1478 157 160 VAL N N 119.364 0.1 1
1479 158 161 PRO HA H 4.267 0.02 1
1480 158 161 PRO HB2 H 2.157 0.02 1
1481 158 161 PRO HB3 H 2.157 0.02 1
1482 158 161 PRO HD2 H 3.615 0.02 2
1483 158 161 PRO HD3 H 3.777 0.02 2
1484 158 161 PRO C C 174.394 0.2 1
1485 158 161 PRO CA C 63.239 0.2 1
1486 158 161 PRO CB C 33.355 0.2 1
1487 158 161 PRO CD C 51.220 0.2 1
1488 159 162 VAL H H 7.877 0.02 1
1489 159 162 VAL HA H 5.000 0.02 1
1490 159 162 VAL HB H 1.934 0.02 1
1491 159 162 VAL HG1 H 0.682 0.02 2
1492 159 162 VAL HG2 H 0.910 0.02 2
1493 159 162 VAL C C 175.699 0.2 1
1494 159 162 VAL CA C 61.093 0.2 1
1495 159 162 VAL CB C 34.085 0.2 1
1496 159 162 VAL CG1 C 20.695 0.2 2
1497 159 162 VAL CG2 C 22.133 0.2 2
1498 159 162 VAL N N 119.482 0.1 1
1499 160 163 ILE H H 9.058 0.02 1
1500 160 163 ILE HA H 4.521 0.02 1
1501 160 163 ILE HB H 1.640 0.02 1
1502 160 163 ILE HD1 H 0.592 0.02 1
1503 160 163 ILE HG12 H 1.386 0.02 2
1504 160 163 ILE HG2 H 0.700 0.02 1
1505 160 163 ILE C C 172.627 0.2 1
1506 160 163 ILE CA C 59.423 0.2 1
1507 160 163 ILE CB C 42.568 0.2 1
1508 160 163 ILE CD1 C 15.588 0.2 1
1509 160 163 ILE CG1 C 28.533 0.2 1
1510 160 163 ILE CG2 C 18.850 0.2 1
1511 160 163 ILE N N 124.735 0.1 1
1512 161 164 ASN H H 8.254 0.02 1
1513 161 164 ASN HA H 5.014 0.02 1
1514 161 164 ASN HB2 H 2.481 0.02 2
1515 161 164 ASN HB3 H 2.546 0.02 2
1516 161 164 ASN HD21 H 7.483 0.02 2
1517 161 164 ASN HD22 H 6.884 0.02 2
1518 161 164 ASN C C 175.743 0.2 1
1519 161 164 ASN CA C 51.971 0.2 1
1520 161 164 ASN CB C 40.522 0.2 1
1521 161 164 ASN N N 122.365 0.1 1
1522 161 164 ASN ND2 N 114.546 0.1 1
1523 162 165 LEU H H 9.596 0.02 1
1524 162 165 LEU HA H 4.360 0.02 1
1525 162 165 LEU HB2 H 1.563 0.02 1
1526 162 165 LEU HB3 H 1.563 0.02 1
1527 162 165 LEU HD1 H 0.763 0.02 2
1528 162 165 LEU HD2 H 0.930 0.02 2
1529 162 165 LEU C C 175.183 0.2 1
1530 162 165 LEU CA C 54.028 0.2 1
1531 162 165 LEU CB C 41.617 0.2 1
1532 162 165 LEU CD1 C 24.537 0.2 2
1533 162 165 LEU N N 126.588 0.1 1
1534 163 166 PRO HA H 4.226 0.02 1
1535 163 166 PRO HB2 H 1.803 0.02 2
1536 163 166 PRO HB3 H 2.273 0.02 2
1537 163 166 PRO HD2 H 3.590 0.02 1
1538 163 166 PRO HD3 H 3.590 0.02 1
1539 163 166 PRO C C 176.352 0.2 1
1540 163 166 PRO CA C 63.937 0.2 1
1541 163 166 PRO CB C 32.782 0.2 1
1542 163 166 PRO CD C 50.307 0.2 1
1543 164 167 GLU H H 8.494 0.02 1
1544 164 167 GLU HA H 4.219 0.02 1
1545 164 167 GLU HB2 H 2.022 0.02 1
1546 164 167 GLU HB3 H 2.022 0.02 1
1547 164 167 GLU HG2 H 2.233 0.02 1
1548 164 167 GLU HG3 H 2.233 0.02 1
1549 164 167 GLU C C 175.326 0.2 1
1550 164 167 GLU CA C 56.746 0.2 1
1551 164 167 GLU CB C 31.006 0.2 1
1552 164 167 GLU CG C 37.000 0.2 1
1553 164 167 GLU N N 123.236 0.1 1
1554 165 168 ARG H H 7.954 0.02 1
1555 165 168 ARG HA H 4.184 0.02 1
1556 165 168 ARG HB2 H 1.686 0.02 1
1557 165 168 ARG HB3 H 1.686 0.02 1
1558 165 168 ARG HD2 H 3.165 0.02 1
1559 165 168 ARG HD3 H 3.165 0.02 1
1560 165 168 ARG HE H 7.504 0.02 1
1561 165 168 ARG HG2 H 1.554 0.02 1
1562 165 168 ARG HG3 H 1.554 0.02 1
1563 165 168 ARG C C 181.005 0.2 1
1564 165 168 ARG CA C 57.545 0.2 1
1565 165 168 ARG CB C 32.299 0.2 1
1566 165 168 ARG CD C 44.000 0.2 1
1567 165 168 ARG CG C 27.842 0.2 1
1568 165 168 ARG CZ C 159.302 0.2 1
1569 165 168 ARG N N 126.801 0.1 1
1570 165 168 ARG NE N 85.316 0.1 1
stop_
loop_
_Atom_shift_assign_ID_ambiguity
1
'1,1,131,131,131,1417,1417,1417'
'3,137,1423'
'239,240,243'
'718,719,722'
'1264,1265,1268'
stop_
save_