data_25195
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of a putative arsenate reductase from Brucella melitensis. Seattle Structural Genomics Center for Infectious Disease target BrabA.00073.a
;
_BMRB_accession_number 25195
_BMRB_flat_file_name bmr25195.str
_Entry_type original
_Submission_date 2014-09-02
_Accession_date 2014-09-02
_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 Buchko Garry W. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 639
"13C chemical shifts" 524
"15N chemical shifts" 115
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2014-09-15 original author .
stop_
_Original_release_date 2014-09-15
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution NMR structure of an arsenate reductase from Brucella melitensis.'
_Citation_status 'in preparation'
_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 Buchko Garry W. .
2 Hewitt Stephan N. .
3 'Van Voorhis' Wesley C .
4 Myler Peter J. .
stop_
_Journal_abbreviation 'Not known'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'putative arsenate reductase from Brucella melitensis'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity $entity
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity
_Molecular_mass 15166.851
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 136
_Mol_residue_sequence
;
MAHHHHHHMGTLEAQTQGPG
SMDVTIYHNPVCGTSRKVLG
MIREAGIEPHVIEYMKTPLP
RDMLVELLRQMAISPRALLR
AKEARYAELGLDDPALSDEV
LIDAMISNPVLMNRPVVVTP
KGVRLCRPAETVQELL
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 MET 2 2 ALA 3 3 HIS 4 4 HIS 5 5 HIS
6 6 HIS 7 7 HIS 8 8 HIS 9 9 MET 10 10 GLY
11 11 THR 12 12 LEU 13 13 GLU 14 14 ALA 15 15 GLN
16 16 THR 17 17 GLN 18 18 GLY 19 19 PRO 20 20 GLY
21 21 SER 22 22 MET 23 23 ASP 24 24 VAL 25 25 THR
26 26 ILE 27 27 TYR 28 28 HIS 29 29 ASN 30 30 PRO
31 31 VAL 32 32 CYS 33 33 GLY 34 34 THR 35 35 SER
36 36 ARG 37 37 LYS 38 38 VAL 39 39 LEU 40 40 GLY
41 41 MET 42 42 ILE 43 43 ARG 44 44 GLU 45 45 ALA
46 46 GLY 47 47 ILE 48 48 GLU 49 49 PRO 50 50 HIS
51 51 VAL 52 52 ILE 53 53 GLU 54 54 TYR 55 55 MET
56 56 LYS 57 57 THR 58 58 PRO 59 59 LEU 60 60 PRO
61 61 ARG 62 62 ASP 63 63 MET 64 64 LEU 65 65 VAL
66 66 GLU 67 67 LEU 68 68 LEU 69 69 ARG 70 70 GLN
71 71 MET 72 72 ALA 73 73 ILE 74 74 SER 75 75 PRO
76 76 ARG 77 77 ALA 78 78 LEU 79 79 LEU 80 80 ARG
81 81 ALA 82 82 LYS 83 83 GLU 84 84 ALA 85 85 ARG
86 86 TYR 87 87 ALA 88 88 GLU 89 89 LEU 90 90 GLY
91 91 LEU 92 92 ASP 93 93 ASP 94 94 PRO 95 95 ALA
96 96 LEU 97 97 SER 98 98 ASP 99 99 GLU 100 100 VAL
101 101 LEU 102 102 ILE 103 103 ASP 104 104 ALA 105 105 MET
106 106 ILE 107 107 SER 108 108 ASN 109 109 PRO 110 110 VAL
111 111 LEU 112 112 MET 113 113 ASN 114 114 ARG 115 115 PRO
116 116 VAL 117 117 VAL 118 118 VAL 119 119 THR 120 120 PRO
121 121 LYS 122 122 GLY 123 123 VAL 124 124 ARG 125 125 LEU
126 126 CYS 127 127 ARG 128 128 PRO 129 129 ALA 130 130 GLU
131 131 THR 132 132 VAL 133 133 GLN 134 134 GLU 135 135 LEU
136 136 LEU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-03-04
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2MU0 "Solution Structure Of A Putative Arsenate Reductase From Brucella Melitensis. Seattle Structural Genomics Center For Infectious" 100.00 136 100.00 100.00 1.58e-92
EMBL CAJ10964 "Arsenate reductase:Arsenate reductase and related [Brucella abortus 2308]" 84.56 115 100.00 100.00 3.64e-75
EMBL CDL76386 "unnamed protein product [Brucella canis str. Oliveri]" 84.56 115 99.13 100.00 1.47e-74
GB AAL52173 "arsenate reductase [Brucella melitensis bv. 1 str. 16M]" 84.56 115 100.00 100.00 3.64e-75
GB AAN29912 "arsenate reductase ArsC, putative [Brucella suis 1330]" 84.56 115 100.00 100.00 3.64e-75
GB AAX74345 "arsenate reductase ArsC, hypothetical [Brucella abortus bv. 1 str. 9-941]" 84.56 115 100.00 100.00 3.64e-75
GB ABQ61470 "arsenate reductase [Brucella ovis ATCC 25840]" 84.56 115 99.13 99.13 1.54e-74
GB ABX62059 "arsenate reductase [Brucella canis ATCC 23365]" 84.56 115 99.13 100.00 1.47e-74
REF WP_002964107 "MULTISPECIES: arsenate reductase [Brucella]" 84.56 115 100.00 100.00 3.64e-75
REF WP_004683746 "arsenate reductase [Brucella melitensis]" 84.56 115 99.13 99.13 3.52e-74
REF WP_004685628 "arsenate reductase [Brucella melitensis]" 84.56 115 99.13 99.13 2.33e-74
REF WP_004691862 "MULTISPECIES: arsenate reductase [Brucella]" 84.56 115 99.13 100.00 1.47e-74
REF WP_006012423 "MULTISPECIES: arsenate reductase [Brucella]" 84.56 115 99.13 99.13 1.54e-74
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
$entity a-proteobacteria 29459 Bacteria . Brucella melitensis 'biovar Abortus 2308'
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity 'recombinant technology' . Escherichia coli BL21(DE3)-R3-PRARE2 AVA0421
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 1 mM '[U-99% 13C; U-99% 15N]'
'sodium chloride' 100 mM 'natural abundance'
TRIS 20 mM 'natural abundance'
DTT 1 mM 'natural abundance'
D2O 7 % 'natural abundance'
H2O 93 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 1 mM '[U-99% 13C; U-99% 15N]'
'sodium chloride' 100 mM 'natural abundance'
TRIS 20 mM 'natural abundance'
DTT 1 mM 'natural abundance'
D2O 100 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version 3.115
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'data analysis'
'peak picking'
stop_
_Details .
save_
save_Felix
_Saveframe_category software
_Name Felix
_Version 2007
loop_
_Vendor
_Address
_Electronic_address
'Accelrys Software Inc.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_PSVS
_Saveframe_category software
_Name PSVS
_Version 1.5
loop_
_Vendor
_Address
_Electronic_address
'Bhattacharya and Montelione' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version +
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 750
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_aliphatic_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aliphatic'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_aromatic_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aromatic'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_C(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aliphatic_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aromatic_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $sample_1
save_
save_3D_HNCACB_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_D2O_exchange_10
_Saveframe_category NMR_applied_experiment
_Experiment_name 'D2O exchange'
_Sample_label $sample_2
save_
save_3D_1H-15N_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
temperature 293 0.5 K
pH 7 0.2 pH
pressure 1 . atm
'ionic strength' 0.12 0.05 M
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D HNCO'
'3D C(CO)NH'
'3D 1H-13C NOESY aromatic'
'3D 1H-15N NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name entity
_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 9 9 MET C C 176.7 0.2 1
2 9 9 MET CA C 55.6 0.2 1
3 9 9 MET CB C 32.7 0.2 1
4 9 9 MET CG C 31.9 0.2 1
5 10 10 GLY H H 8.48 0.02 1
6 10 10 GLY C C 174.4 0.2 1
7 10 10 GLY CA C 45.3 0.2 1
8 10 10 GLY N N 109.8 0.2 1
9 11 11 THR H H 8.08 0.02 1
10 11 11 THR HA H 4.33 0.02 1
11 11 11 THR HB H 4.24 0.02 1
12 11 11 THR HG2 H 1.19 0.02 1
13 11 11 THR CA C 62.1 0.2 1
14 11 11 THR CB C 69.9 0.2 1
15 11 11 THR CG2 C 21.7 0.2 1
16 11 11 THR N N 113.5 0.2 1
17 12 12 LEU H H 8.39 0.02 1
18 12 12 LEU HA H 4.31 0.02 1
19 12 12 LEU HB2 H 1.61 0.02 2
20 12 12 LEU HB3 H 1.61 0.02 2
21 12 12 LEU C C 177.7 0.2 1
22 12 12 LEU CA C 55.8 0.2 1
23 12 12 LEU CB C 42.2 0.2 1
24 12 12 LEU CG C 23.4 0.2 1
25 12 12 LEU CD1 C 24.6 0.2 2
26 12 12 LEU CD2 C 26.8 0.2 2
27 12 12 LEU N N 123.9 0.2 1
28 13 13 GLU H H 8.43 0.02 1
29 13 13 GLU HA H 4.20 0.02 1
30 13 13 GLU C C 176.5 0.2 1
31 13 13 GLU CA C 57.1 0.2 1
32 13 13 GLU CB C 29.9 0.2 1
33 13 13 GLU CG C 36.3 0.2 1
34 13 13 GLU N N 121.3 0.2 1
35 14 14 ALA H H 8.27 0.02 1
36 14 14 ALA HA H 4.27 0.02 1
37 14 14 ALA HB H 1.38 0.02 1
38 14 14 ALA C C 177.9 0.2 1
39 14 14 ALA CA C 52.8 0.2 1
40 14 14 ALA CB C 19.2 0.2 1
41 14 14 ALA N N 124.1 0.2 1
42 15 15 GLN H H 8.36 0.02 1
43 15 15 GLN HA H 4.24 0.02 1
44 15 15 GLN HG2 H 2.38 0.02 2
45 15 15 GLN HG3 H 2.38 0.02 2
46 15 15 GLN HE21 H 7.56 0.02 2
47 15 15 GLN HE22 H 6.89 0.02 2
48 15 15 GLN C C 176.5 0.2 1
49 15 15 GLN CA C 55.8 0.2 1
50 15 15 GLN CB C 29.4 0.2 1
51 15 15 GLN CG C 34.1 0.2 1
52 15 15 GLN N N 118.9 0.2 1
53 15 15 GLN NE2 N 112.3 0.2 1
54 16 16 THR H H 8.19 0.02 1
55 16 16 THR HA H 4.36 0.02 1
56 16 16 THR HB H 4.23 0.02 1
57 16 16 THR C C 174.6 0.2 1
58 16 16 THR CA C 61.9 0.2 1
59 16 16 THR CB C 69.8 0.2 1
60 16 16 THR CG2 C 21.5 0.2 1
61 16 16 THR N N 114.9 0.2 1
62 17 17 GLN H H 8.44 0.02 1
63 17 17 GLN C C 176.1 0.2 1
64 17 17 GLN CA C 55.7 0.2 1
65 17 17 GLN CB C 29.7 0.2 1
66 17 17 GLN CG C 33.7 0.2 1
67 17 17 GLN N N 122.1 0.2 1
68 18 18 GLY H H 8.37 0.02 1
69 18 18 GLY HA2 H 4.16 0.02 2
70 18 18 GLY HA3 H 4.08 0.02 2
71 18 18 GLY CA C 44.7 0.2 1
72 18 18 GLY N N 110.1 0.2 1
73 19 19 PRO HA H 4.44 0.02 1
74 19 19 PRO HB2 H 2.28 0.02 2
75 19 19 PRO HB3 H 2.03 0.02 2
76 19 19 PRO HG2 H 2.03 0.02 2
77 19 19 PRO HG3 H 2.03 0.02 2
78 19 19 PRO HD2 H 3.66 0.02 2
79 19 19 PRO HD3 H 3.62 0.02 2
80 19 19 PRO C C 177.7 0.2 1
81 19 19 PRO CA C 63.7 0.2 1
82 19 19 PRO CB C 32.4 0.2 1
83 19 19 PRO CG C 27.1 0.2 1
84 19 19 PRO CD C 49.8 0.2 1
85 20 20 GLY H H 8.62 0.02 1
86 20 20 GLY HA2 H 3.98 0.02 2
87 20 20 GLY HA3 H 3.98 0.02 2
88 20 20 GLY C C 174.4 0.2 1
89 20 20 GLY CA C 45.4 0.2 1
90 20 20 GLY N N 109.2 0.2 1
91 21 21 SER H H 8.18 0.02 1
92 21 21 SER HA H 4.42 0.02 1
93 21 21 SER HB2 H 3.86 0.02 2
94 21 21 SER HB3 H 3.86 0.02 2
95 21 21 SER C C 174.6 0.2 1
96 21 21 SER CA C 58.6 0.2 1
97 21 21 SER CB C 64.1 0.2 1
98 21 21 SER N N 115.0 0.2 1
99 22 22 MET H H 8.34 0.02 1
100 22 22 MET HA H 4.44 0.02 1
101 22 22 MET HB2 H 1.99 0.02 2
102 22 22 MET HB3 H 1.99 0.02 2
103 22 22 MET HG2 H 2.53 0.02 2
104 22 22 MET HG3 H 2.53 0.02 2
105 22 22 MET HE H 2.07 0.02 1
106 22 22 MET C C 175.1 0.2 1
107 22 22 MET CA C 55.6 0.2 1
108 22 22 MET CB C 33.6 0.2 1
109 22 22 MET CG C 32.1 0.2 1
110 22 22 MET CE C 16.9 0.2 1
111 22 22 MET N N 121.5 0.2 1
112 23 23 ASP H H 8.17 0.02 1
113 23 23 ASP HA H 4.61 0.02 1
114 23 23 ASP HB2 H 2.68 0.02 2
115 23 23 ASP HB3 H 2.56 0.02 2
116 23 23 ASP CA C 54.8 0.2 1
117 23 23 ASP CB C 41.7 0.2 1
118 23 23 ASP N N 123.0 0.2 1
119 24 24 VAL H H 8.21 0.02 1
120 24 24 VAL HA H 5.04 0.02 1
121 24 24 VAL HB H 1.68 0.02 1
122 24 24 VAL HG1 H 0.93 0.02 2
123 24 24 VAL C C 174.9 0.2 1
124 24 24 VAL CA C 60.9 0.2 1
125 24 24 VAL CB C 35.1 0.2 1
126 24 24 VAL CG1 C 22.7 0.2 .
127 24 24 VAL N N 123.2 0.2 1
128 25 25 THR H H 9.17 0.02 1
129 25 25 THR HA H 5.31 0.02 1
130 25 25 THR HB H 3.81 0.02 1
131 25 25 THR HG2 H 0.79 0.02 1
132 25 25 THR C C 172.3 0.2 1
133 25 25 THR CA C 61.8 0.2 1
134 25 25 THR CB C 71.6 0.2 1
135 25 25 THR CG2 C 21.5 0.2 1
136 25 25 THR N N 124.2 0.2 1
137 26 26 ILE H H 8.91 0.02 1
138 26 26 ILE HA H 5.27 0.02 1
139 26 26 ILE HB H 1.42 0.02 1
140 26 26 ILE HG12 H 1.60 0.02 2
141 26 26 ILE HG13 H 0.81 0.02 2
142 26 26 ILE HG2 H 0.94 0.02 1
143 26 26 ILE HD1 H 0.80 0.02 1
144 26 26 ILE C C 172.2 0.2 1
145 26 26 ILE CA C 57.7 0.2 1
146 26 26 ILE CB C 42.3 0.2 1
147 26 26 ILE CG1 C 29.2 0.2 1
148 26 26 ILE CG2 C 16.3 0.2 1
149 26 26 ILE CD1 C 14.1 0.2 1
150 26 26 ILE N N 122.5 0.2 1
151 27 27 TYR H H 9.09 0.02 1
152 27 27 TYR HA H 5.18 0.02 1
153 27 27 TYR HB2 H 3.08 0.02 2
154 27 27 TYR HB3 H 2.63 0.02 2
155 27 27 TYR HD1 H 6.93 0.02 3
156 27 27 TYR HD2 H 6.93 0.02 3
157 27 27 TYR HE1 H 6.65 0.02 3
158 27 27 TYR HE2 H 6.65 0.02 3
159 27 27 TYR CA C 58.5 0.2 1
160 27 27 TYR CB C 37.1 0.2 1
161 27 27 TYR CD1 C 132.1 0.2 3
162 27 27 TYR CD2 C 132.1 0.2 3
163 27 27 TYR CE1 C 118.2 0.2 3
164 27 27 TYR CE2 C 118.2 0.2 3
165 27 27 TYR N N 129.4 0.2 1
166 28 28 HIS HE1 H 7.12 0.02 1
167 28 28 HIS CE1 C 137.0 0.2 1
168 29 29 ASN HB2 H 3.40 0.02 2
169 29 29 ASN HB3 H 3.10 0.02 2
170 29 29 ASN HD21 H 7.39 0.02 2
171 29 29 ASN HD22 H 7.26 0.02 2
172 29 29 ASN CB C 42.7 0.2 1
173 29 29 ASN ND2 N 111.4 0.2 1
174 30 30 PRO HA H 4.85 0.02 1
175 30 30 PRO HB2 H 2.32 0.02 2
176 30 30 PRO HB3 H 2.08 0.02 2
177 30 30 PRO HG2 H 1.91 0.02 2
178 30 30 PRO HG3 H 1.86 0.02 2
179 30 30 PRO HD2 H 3.75 0.02 2
180 30 30 PRO HD3 H 3.02 0.02 2
181 30 30 PRO C C 177.0 0.2 1
182 30 30 PRO CA C 64.2 0.2 1
183 30 30 PRO CB C 32.7 0.2 1
184 30 30 PRO CG C 26.8 0.2 1
185 30 30 PRO CD C 51.6 0.2 1
186 31 31 VAL H H 7.29 0.02 1
187 31 31 VAL HA H 4.16 0.02 1
188 31 31 VAL HB H 2.23 0.02 1
189 31 31 VAL HG1 H 0.88 0.02 2
190 31 31 VAL HG2 H 0.85 0.02 2
191 31 31 VAL C C 175.0 0.2 1
192 31 31 VAL CA C 62.0 0.2 1
193 31 31 VAL CB C 31.5 0.2 1
194 31 31 VAL CG1 C 20.8 0.2 2
195 31 31 VAL CG2 C 19.8 0.2 2
196 31 31 VAL N N 112.1 0.2 1
197 32 32 CYS H H 7.78 0.02 1
198 32 32 CYS HA H 4.36 0.02 1
199 32 32 CYS HB2 H 3.41 0.02 2
200 32 32 CYS HB3 H 2.38 0.02 2
201 32 32 CYS CA C 59.3 0.2 1
202 32 32 CYS CB C 31.2 0.2 1
203 32 32 CYS N N 126.1 0.2 1
204 33 33 GLY HA2 H 4.14 0.02 2
205 33 33 GLY HA3 H 3.79 0.02 2
206 33 33 GLY C C 177.4 0.2 1
207 33 33 GLY CA C 47.7 0.2 1
208 34 34 THR H H 9.11 0.02 1
209 34 34 THR HA H 4.25 0.02 1
210 34 34 THR HB H 4.40 0.02 1
211 34 34 THR HG2 H 1.39 0.02 1
212 34 34 THR C C 175.6 0.2 1
213 34 34 THR CA C 67.6 0.2 1
214 34 34 THR CB C 68.7 0.2 1
215 34 34 THR CG2 C 22.8 0.2 1
216 34 34 THR N N 123.7 0.2 1
217 35 35 SER H H 9.53 0.02 1
218 35 35 SER HB2 H 3.93 0.02 2
219 35 35 SER HB3 H 3.85 0.02 2
220 35 35 SER C C 177.9 0.2 1
221 35 35 SER CA C 63.8 0.2 1
222 35 35 SER CB C 63.8 0.2 1
223 35 35 SER N N 123.6 0.2 1
224 36 36 ARG H H 8.74 0.02 1
225 36 36 ARG HA H 4.00 0.02 1
226 36 36 ARG HB2 H 2.03 0.02 2
227 36 36 ARG HB3 H 1.93 0.02 2
228 36 36 ARG HG2 H 2.19 0.02 2
229 36 36 ARG HG3 H 1.59 0.02 2
230 36 36 ARG HD2 H 3.56 0.02 2
231 36 36 ARG HD3 H 3.30 0.02 2
232 36 36 ARG C C 179.2 0.2 1
233 36 36 ARG CA C 61.3 0.2 1
234 36 36 ARG CB C 31.3 0.2 1
235 36 36 ARG CG C 28.6 0.2 1
236 36 36 ARG CD C 43.9 0.2 1
237 36 36 ARG N N 113.4 0.2 1
238 37 37 LYS H H 7.98 0.02 1
239 37 37 LYS HA H 4.14 0.02 1
240 37 37 LYS HB2 H 2.08 0.02 2
241 37 37 LYS HB3 H 2.08 0.02 2
242 37 37 LYS HG2 H 1.53 0.02 2
243 37 37 LYS HG3 H 1.43 0.02 2
244 37 37 LYS HD2 H 1.75 0.02 2
245 37 37 LYS HD3 H 1.75 0.02 2
246 37 37 LYS HE2 H 2.98 0.02 2
247 37 37 LYS HE3 H 2.98 0.02 2
248 37 37 LYS C C 179.4 0.2 1
249 37 37 LYS CA C 59.7 0.2 1
250 37 37 LYS CB C 32.6 0.2 1
251 37 37 LYS CG C 25.3 0.2 1
252 37 37 LYS CD C 29.3 0.2 1
253 37 37 LYS CE C 42.1 0.2 1
254 37 37 LYS N N 121.9 0.2 1
255 38 38 VAL H H 8.67 0.02 1
256 38 38 VAL HA H 3.62 0.02 1
257 38 38 VAL HB H 2.18 0.02 1
258 38 38 VAL HG1 H 1.40 0.02 2
259 38 38 VAL HG2 H 0.93 0.02 2
260 38 38 VAL C C 177.3 0.2 1
261 38 38 VAL CA C 67.3 0.2 1
262 38 38 VAL CB C 31.9 0.2 1
263 38 38 VAL CG1 C 25.2 0.2 .
264 38 38 VAL CG2 C 22.5 0.2 .
265 38 38 VAL N N 120.9 0.2 1
266 39 39 LEU H H 8.30 0.02 1
267 39 39 LEU HB2 H 1.87 0.02 2
268 39 39 LEU HB3 H 1.87 0.02 2
269 39 39 LEU HG H 0.31 0.02 1
270 39 39 LEU HD1 H 0.61 0.02 2
271 39 39 LEU HD2 H 0.61 0.02 2
272 39 39 LEU C C 178.3 0.2 1
273 39 39 LEU CA C 58.6 0.2 1
274 39 39 LEU CB C 41.6 0.2 1
275 39 39 LEU CG C 25.2 0.2 1
276 39 39 LEU CD1 C 23.9 0.2 2
277 39 39 LEU CD2 C 23.9 0.2 2
278 39 39 LEU N N 120.2 0.2 1
279 40 40 GLY H H 8.05 0.02 1
280 40 40 GLY HA2 H 3.97 0.02 2
281 40 40 GLY HA3 H 3.83 0.02 2
282 40 40 GLY C C 176.6 0.2 1
283 40 40 GLY CA C 47.4 0.2 1
284 40 40 GLY N N 103.6 0.2 1
285 41 41 MET H H 8.31 0.02 1
286 41 41 MET HA H 4.03 0.02 1
287 41 41 MET HB2 H 2.22 0.02 2
288 41 41 MET HB3 H 1.93 0.02 2
289 41 41 MET HG2 H 2.82 0.02 2
290 41 41 MET HG3 H 2.55 0.02 2
291 41 41 MET HE H 2.01 0.02 1
292 41 41 MET C C 179.2 0.2 1
293 41 41 MET CA C 59.9 0.2 1
294 41 41 MET CB C 33.6 0.2 1
295 41 41 MET CG C 33.6 0.2 1
296 41 41 MET CE C 18.0 0.2 1
297 41 41 MET N N 122.3 0.2 1
298 42 42 ILE H H 8.26 0.02 1
299 42 42 ILE HA H 3.54 0.02 1
300 42 42 ILE HB H 1.93 0.02 1
301 42 42 ILE HG12 H 2.05 0.02 2
302 42 42 ILE HG13 H 0.70 0.02 2
303 42 42 ILE HG2 H 0.76 0.02 1
304 42 42 ILE HD1 H 0.70 0.02 1
305 42 42 ILE C C 177.6 0.2 1
306 42 42 ILE CA C 66.2 0.2 1
307 42 42 ILE CB C 39.1 0.2 1
308 42 42 ILE CG1 C 29.2 0.2 1
309 42 42 ILE CG2 C 18.6 0.2 1
310 42 42 ILE CD1 C 15.1 0.2 1
311 42 42 ILE N N 120.6 0.2 1
312 43 43 ARG H H 7.81 0.02 1
313 43 43 ARG HG2 H 1.85 0.02 2
314 43 43 ARG HG3 H 1.85 0.02 2
315 43 43 ARG HD2 H 3.13 0.02 2
316 43 43 ARG HD3 H 3.06 0.02 2
317 43 43 ARG C C 182.1 0.2 1
318 43 43 ARG CA C 59.1 0.2 1
319 43 43 ARG CB C 29.4 0.2 1
320 43 43 ARG CD C 43.5 0.2 1
321 43 43 ARG N N 117.2 0.2 1
322 44 44 GLU H H 8.67 0.02 1
323 44 44 GLU HA H 4.05 0.02 1
324 44 44 GLU HB2 H 2.15 0.02 2
325 44 44 GLU HB3 H 2.09 0.02 2
326 44 44 GLU HG2 H 2.43 0.02 2
327 44 44 GLU HG3 H 2.33 0.02 2
328 44 44 GLU C C 177.6 0.2 1
329 44 44 GLU CA C 59.1 0.2 1
330 44 44 GLU CB C 29.5 0.2 1
331 44 44 GLU CG C 36.8 0.2 1
332 44 44 GLU N N 122.2 0.2 1
333 45 45 ALA H H 7.43 0.02 1
334 45 45 ALA HA H 4.42 0.02 1
335 45 45 ALA HB H 1.63 0.02 1
336 45 45 ALA C C 177.3 0.2 1
337 45 45 ALA CA C 52.5 0.2 1
338 45 45 ALA CB C 18.4 0.2 1
339 45 45 ALA N N 120.4 0.2 1
340 46 46 GLY H H 8.08 0.02 1
341 46 46 GLY HA2 H 4.20 0.02 2
342 46 46 GLY HA3 H 3.71 0.02 2
343 46 46 GLY C C 173.8 0.2 1
344 46 46 GLY CA C 45.3 0.2 1
345 46 46 GLY N N 106.0 0.2 1
346 47 47 ILE H H 7.18 0.02 1
347 47 47 ILE HA H 4.10 0.02 1
348 47 47 ILE HB H 1.58 0.02 1
349 47 47 ILE HG12 H 1.37 0.02 2
350 47 47 ILE HG13 H 1.03 0.02 2
351 47 47 ILE HG2 H 0.60 0.02 1
352 47 47 ILE HD1 H 0.89 0.02 1
353 47 47 ILE C C 174.1 0.2 1
354 47 47 ILE CA C 59.7 0.2 1
355 47 47 ILE CB C 41.1 0.2 1
356 47 47 ILE CG1 C 27.9 0.2 1
357 47 47 ILE CG2 C 17.2 0.2 1
358 47 47 ILE CD1 C 14.9 0.2 1
359 47 47 ILE N N 121.5 0.2 1
360 48 48 GLU H H 8.44 0.02 1
361 48 48 GLU HA H 5.20 0.02 1
362 48 48 GLU HB2 H 1.95 0.02 2
363 48 48 GLU HB3 H 1.83 0.02 2
364 48 48 GLU CA C 51.3 0.2 1
365 48 48 GLU CB C 29.4 0.2 1
366 48 48 GLU N N 127.0 0.2 1
367 49 49 PRO HA H 4.64 0.02 1
368 49 49 PRO HB2 H 1.71 0.02 2
369 49 49 PRO HB3 H 1.69 0.02 2
370 49 49 PRO HG2 H 1.67 0.02 2
371 49 49 PRO HG3 H 1.53 0.02 2
372 49 49 PRO HD2 H 3.78 0.02 2
373 49 49 PRO HD3 H 3.78 0.02 2
374 49 49 PRO C C 175.2 0.2 1
375 49 49 PRO CA C 61.9 0.2 1
376 49 49 PRO CB C 32.7 0.2 1
377 49 49 PRO CG C 26.0 0.2 1
378 49 49 PRO CD C 50.2 0.2 1
379 50 50 HIS H H 9.16 0.02 1
380 50 50 HIS HA H 4.70 0.02 1
381 50 50 HIS HB2 H 3.21 0.02 2
382 50 50 HIS HB3 H 3.21 0.02 2
383 50 50 HIS HE1 H 8.19 0.02 1
384 50 50 HIS C C 174.2 0.2 1
385 50 50 HIS CA C 55.4 0.2 1
386 50 50 HIS CB C 29.1 0.2 1
387 50 50 HIS CE1 C 137.4 0.2 1
388 50 50 HIS N N 119.0 0.2 1
389 51 51 VAL H H 8.76 0.02 1
390 51 51 VAL HA H 4.24 0.02 1
391 51 51 VAL HB H 2.04 0.02 1
392 51 51 VAL HG1 H 0.73 0.02 2
393 51 51 VAL HG2 H 0.73 0.02 2
394 51 51 VAL C C 175.6 0.2 1
395 51 51 VAL CA C 62.2 0.2 1
396 51 51 VAL CB C 32.2 0.2 1
397 51 51 VAL CG1 C 21.4 0.2 2
398 51 51 VAL CG2 C 21.4 0.2 2
399 51 51 VAL N N 128.4 0.2 1
400 52 52 ILE H H 9.00 0.02 1
401 52 52 ILE HA H 4.22 0.02 1
402 52 52 ILE HB H 1.48 0.02 1
403 52 52 ILE HG12 H 0.94 0.02 2
404 52 52 ILE HG13 H 0.77 0.02 2
405 52 52 ILE HG2 H 0.88 0.02 1
406 52 52 ILE HD1 H 0.51 0.02 1
407 52 52 ILE C C 176.5 0.2 1
408 52 52 ILE CA C 60.3 0.2 1
409 52 52 ILE CB C 38.2 0.2 1
410 52 52 ILE CG1 C 26.8 0.2 1
411 52 52 ILE CG2 C 16.9 0.2 1
412 52 52 ILE CD1 C 12.7 0.2 1
413 52 52 ILE N N 129.4 0.2 1
414 53 53 GLU H H 9.18 0.02 1
415 53 53 GLU HA H 5.13 0.02 1
416 53 53 GLU HB2 H 2.15 0.02 2
417 53 53 GLU HB3 H 2.01 0.02 2
418 53 53 GLU C C 174.2 0.2 1
419 53 53 GLU CA C 55.9 0.2 1
420 53 53 GLU CB C 28.3 0.2 1
421 53 53 GLU N N 129.9 0.2 1
422 54 54 TYR H H 8.46 0.02 1
423 54 54 TYR HA H 5.20 0.02 1
424 54 54 TYR HB2 H 2.78 0.02 2
425 54 54 TYR HB3 H 2.62 0.02 2
426 54 54 TYR HD1 H 7.03 0.02 3
427 54 54 TYR HD2 H 7.03 0.02 3
428 54 54 TYR HE1 H 6.87 0.02 3
429 54 54 TYR HE2 H 6.87 0.02 3
430 54 54 TYR C C 174.2 0.2 1
431 54 54 TYR CA C 54.1 0.2 1
432 54 54 TYR CB C 38.0 0.2 1
433 54 54 TYR CD1 C 132.7 0.2 3
434 54 54 TYR CD2 C 132.7 0.2 3
435 54 54 TYR CE1 C 117.7 0.2 3
436 54 54 TYR CE2 C 117.7 0.2 3
437 54 54 TYR N N 124.2 0.2 1
438 55 55 MET H H 7.66 0.02 1
439 55 55 MET HE H 2.08 0.02 1
440 55 55 MET CE C 16.9 0.2 1
441 55 55 MET N N 121.9 0.2 1
442 56 56 LYS C C 176.7 0.2 1
443 56 56 LYS CA C 56.9 0.2 1
444 56 56 LYS CB C 29.2 0.2 1
445 56 56 LYS CG C 24.9 0.2 1
446 57 57 THR H H 7.94 0.02 1
447 57 57 THR HA H 4.72 0.02 1
448 57 57 THR HB H 4.07 0.02 1
449 57 57 THR HG2 H 1.19 0.02 1
450 57 57 THR CB C 70.5 0.2 1
451 57 57 THR CG2 C 21.0 0.2 1
452 57 57 THR N N 114.7 0.2 1
453 58 58 PRO HA H 4.70 0.02 1
454 58 58 PRO HB2 H 2.41 0.02 2
455 58 58 PRO HB3 H 1.88 0.02 2
456 58 58 PRO HD2 H 3.67 0.02 2
457 58 58 PRO HD3 H 3.67 0.02 2
458 58 58 PRO C C 177.4 0.2 1
459 58 58 PRO CA C 62.8 0.2 1
460 58 58 PRO CB C 32.6 0.2 1
461 58 58 PRO CG C 27.2 0.2 1
462 58 58 PRO CD C 51.1 0.2 1
463 59 59 LEU H H 8.76 0.02 1
464 59 59 LEU HA H 4.58 0.02 1
465 59 59 LEU HB2 H 1.52 0.02 2
466 59 59 LEU HB3 H 1.49 0.02 2
467 59 59 LEU HG H 1.83 0.02 1
468 59 59 LEU CB C 42.3 0.2 1
469 59 59 LEU CG C 28.2 0.2 1
470 59 59 LEU N N 125.3 0.2 1
471 60 60 PRO HA H 4.51 0.02 1
472 60 60 PRO HB2 H 2.45 0.02 2
473 60 60 PRO HB3 H 1.96 0.02 2
474 60 60 PRO HG2 H 2.12 0.02 2
475 60 60 PRO HG3 H 2.12 0.02 2
476 60 60 PRO HD2 H 4.12 0.02 2
477 60 60 PRO HD3 H 3.66 0.02 2
478 60 60 PRO C C 178.4 0.2 1
479 60 60 PRO CA C 62.1 0.2 1
480 60 60 PRO CB C 32.3 0.2 1
481 60 60 PRO CG C 28.1 0.2 1
482 60 60 PRO CD C 50.8 0.2 1
483 61 61 ARG H H 8.98 0.02 1
484 61 61 ARG HA H 3.70 0.02 1
485 61 61 ARG HB2 H 1.89 0.02 2
486 61 61 ARG HB3 H 1.72 0.02 2
487 61 61 ARG HG2 H 1.77 0.02 2
488 61 61 ARG HG3 H 1.33 0.02 2
489 61 61 ARG HD2 H 3.25 0.02 2
490 61 61 ARG HD3 H 3.08 0.02 2
491 61 61 ARG C C 177.8 0.2 1
492 61 61 ARG CA C 60.8 0.2 1
493 61 61 ARG CB C 30.4 0.2 1
494 61 61 ARG CG C 27.6 0.2 1
495 61 61 ARG CD C 42.9 0.2 1
496 61 61 ARG N N 125.8 0.2 1
497 62 62 ASP H H 8.82 0.02 1
498 62 62 ASP HA H 4.24 0.02 1
499 62 62 ASP HB2 H 2.68 0.02 2
500 62 62 ASP HB3 H 2.55 0.02 2
501 62 62 ASP C C 179.1 0.2 1
502 62 62 ASP CA C 57.0 0.2 1
503 62 62 ASP CB C 39.7 0.2 1
504 62 62 ASP N N 113.3 0.2 1
505 63 63 MET H H 7.34 0.02 1
506 63 63 MET HA H 4.46 0.02 1
507 63 63 MET HB2 H 2.16 0.02 2
508 63 63 MET HB3 H 2.16 0.02 2
509 63 63 MET HG2 H 2.63 0.02 2
510 63 63 MET HG3 H 2.50 0.02 2
511 63 63 MET HE H 2.13 0.02 1
512 63 63 MET C C 177.7 0.2 1
513 63 63 MET CA C 57.2 0.2 1
514 63 63 MET CB C 32.5 0.2 1
515 63 63 MET CG C 32.2 0.2 1
516 63 63 MET CE C 17.2 0.2 1
517 63 63 MET N N 118.8 0.2 1
518 64 64 LEU H H 7.57 0.02 1
519 64 64 LEU HA H 3.96 0.02 1
520 64 64 LEU HB2 H 1.89 0.02 2
521 64 64 LEU HB3 H 1.27 0.02 2
522 64 64 LEU HG H 0.92 0.02 1
523 64 64 LEU HD1 H 0.79 0.02 2
524 64 64 LEU HD2 H 0.79 0.02 2
525 64 64 LEU C C 178.0 0.2 1
526 64 64 LEU CA C 58.3 0.2 1
527 64 64 LEU CB C 41.4 0.2 1
528 64 64 LEU CG C 27.0 0.2 1
529 64 64 LEU CD1 C 23.2 0.2 2
530 64 64 LEU CD2 C 23.2 0.2 2
531 64 64 LEU N N 121.0 0.2 1
532 65 65 VAL H H 8.25 0.02 1
533 65 65 VAL HA H 3.43 0.02 1
534 65 65 VAL HB H 2.11 0.02 1
535 65 65 VAL HG1 H 1.09 0.02 2
536 65 65 VAL HG2 H 0.95 0.02 2
537 65 65 VAL C C 178.5 0.2 1
538 65 65 VAL CA C 67.6 0.2 1
539 65 65 VAL CB C 32.0 0.2 1
540 65 65 VAL CG1 C 23.4 0.2 2
541 65 65 VAL CG2 C 21.1 0.2 2
542 65 65 VAL N N 117.2 0.2 1
543 66 66 GLU H H 7.51 0.02 1
544 66 66 GLU HA H 4.34 0.02 1
545 66 66 GLU HB2 H 2.12 0.02 2
546 66 66 GLU HB3 H 2.12 0.02 2
547 66 66 GLU HG2 H 2.41 0.02 2
548 66 66 GLU HG3 H 2.25 0.02 2
549 66 66 GLU C C 178.5 0.2 1
550 66 66 GLU CA C 58.7 0.2 1
551 66 66 GLU CB C 29.2 0.2 1
552 66 66 GLU CG C 35.1 0.2 1
553 66 66 GLU N N 120.2 0.2 1
554 67 67 LEU H H 8.48 0.02 1
555 67 67 LEU HA H 3.99 0.02 1
556 67 67 LEU HB2 H 1.84 0.02 2
557 67 67 LEU HB3 H 1.13 0.02 2
558 67 67 LEU HD1 H 0.32 0.02 2
559 67 67 LEU HD2 H 0.68 0.02 2
560 67 67 LEU C C 179.4 0.2 1
561 67 67 LEU CA C 58.4 0.2 1
562 67 67 LEU CB C 41.8 0.2 1
563 67 67 LEU CD1 C 25.1 0.2 2
564 67 67 LEU CD2 C 23.1 0.2 2
565 67 67 LEU N N 121.1 0.2 1
566 68 68 LEU H H 8.25 0.02 1
567 68 68 LEU HA H 3.78 0.02 1
568 68 68 LEU HB2 H 1.98 0.02 2
569 68 68 LEU HB3 H 1.49 0.02 2
570 68 68 LEU HG H 0.71 0.02 1
571 68 68 LEU HD2 H 0.65 0.02 2
572 68 68 LEU C C 179.1 0.2 1
573 68 68 LEU CA C 58.7 0.2 1
574 68 68 LEU CB C 41.4 0.2 1
575 68 68 LEU CG C 27.2 0.2 1
576 68 68 LEU CD1 C 26.9 0.2 .
577 68 68 LEU CD2 C 24.7 0.2 2
578 68 68 LEU N N 118.5 0.2 1
579 69 69 ARG H H 7.95 0.02 1
580 69 69 ARG HA H 4.05 0.02 1
581 69 69 ARG HB2 H 2.09 0.02 2
582 69 69 ARG HB3 H 1.95 0.02 2
583 69 69 ARG HG2 H 1.73 0.02 2
584 69 69 ARG HG3 H 1.52 0.02 2
585 69 69 ARG HD2 H 3.31 0.02 2
586 69 69 ARG HD3 H 3.12 0.02 2
587 69 69 ARG C C 180.4 0.2 1
588 69 69 ARG CA C 59.5 0.2 1
589 69 69 ARG CB C 30.1 0.2 1
590 69 69 ARG CG C 27.3 0.2 1
591 69 69 ARG CD C 43.1 0.2 1
592 69 69 ARG N N 119.2 0.2 1
593 70 70 GLN H H 8.45 0.02 1
594 70 70 GLN HA H 4.03 0.02 1
595 70 70 GLN HG2 H 2.63 0.02 2
596 70 70 GLN HG3 H 2.38 0.02 2
597 70 70 GLN HE21 H 7.57 0.02 2
598 70 70 GLN HE22 H 6.65 0.02 2
599 70 70 GLN C C 179.9 0.2 1
600 70 70 GLN CA C 58.9 0.2 1
601 70 70 GLN CB C 29.4 0.2 1
602 70 70 GLN CG C 34.6 0.2 1
603 70 70 GLN N N 118.5 0.2 1
604 70 70 GLN NE2 N 110.4 0.2 1
605 71 71 MET H H 8.38 0.02 1
606 71 71 MET HA H 4.14 0.02 1
607 71 71 MET HB2 H 2.09 0.02 2
608 71 71 MET HB3 H 2.09 0.02 2
609 71 71 MET HG2 H 2.63 0.02 2
610 71 71 MET HG3 H 2.21 0.02 2
611 71 71 MET HE H 1.77 0.02 1
612 71 71 MET C C 175.2 0.2 1
613 71 71 MET CA C 58.2 0.2 1
614 71 71 MET CB C 36.2 0.2 1
615 71 71 MET CG C 34.1 0.2 1
616 71 71 MET CE C 17.4 0.2 1
617 71 71 MET N N 117.5 0.2 1
618 72 72 ALA H H 8.10 0.02 1
619 72 72 ALA HA H 4.03 0.02 1
620 72 72 ALA HB H 1.43 0.02 1
621 72 72 ALA C C 176.6 0.2 1
622 72 72 ALA CA C 52.8 0.2 1
623 72 72 ALA CB C 16.5 0.2 1
624 72 72 ALA N N 120.4 0.2 1
625 73 73 ILE H H 7.24 0.02 1
626 73 73 ILE HB H 1.99 0.02 1
627 73 73 ILE HG12 H 1.35 0.02 2
628 73 73 ILE HG13 H 0.89 0.02 2
629 73 73 ILE HG2 H 0.88 0.02 1
630 73 73 ILE HD1 H 0.73 0.02 1
631 73 73 ILE C C 174.7 0.2 1
632 73 73 ILE CA C 58.9 0.2 1
633 73 73 ILE CB C 41.6 0.2 1
634 73 73 ILE CG1 C 24.6 0.2 1
635 73 73 ILE CG2 C 17.0 0.2 1
636 73 73 ILE CD1 C 13.3 0.3 1
637 73 73 ILE N N 108.6 0.2 1
638 74 74 SER H H 8.29 0.02 1
639 74 74 SER HA H 4.78 0.02 1
640 74 74 SER HB2 H 4.30 0.02 2
641 74 74 SER HB3 H 3.97 0.02 2
642 74 74 SER CA C 55.9 0.2 1
643 74 74 SER CB C 63.5 0.2 1
644 74 74 SER N N 116.5 0.2 1
645 75 75 PRO HA H 4.76 0.02 1
646 75 75 PRO HB2 H 1.74 0.02 2
647 75 75 PRO HB3 H 1.95 0.02 2
648 75 75 PRO HG2 H 2.04 0.02 2
649 75 75 PRO HG3 H 2.00 0.02 2
650 75 75 PRO HD2 H 3.92 0.02 2
651 75 75 PRO HD3 H 3.82 0.02 2
652 75 75 PRO C C 178.2 0.2 1
653 75 75 PRO CA C 65.6 0.2 1
654 75 75 PRO CB C 32.1 0.2 1
655 75 75 PRO CG C 28.4 0.2 1
656 75 75 PRO CD C 49.5 0.2 1
657 76 76 ARG H H 8.34 0.02 1
658 76 76 ARG HB2 H 1.87 0.02 2
659 76 76 ARG HB3 H 1.68 0.02 2
660 76 76 ARG C C 178.1 0.2 1
661 76 76 ARG CA C 60.0 0.2 1
662 76 76 ARG CB C 29.4 0.2 1
663 76 76 ARG CG C 28.2 0.2 1
664 76 76 ARG CD C 42.6 0.2 1
665 76 76 ARG N N 114.4 0.2 1
666 77 77 ALA H H 7.72 0.02 1
667 77 77 ALA HA H 4.23 0.02 1
668 77 77 ALA HB H 1.59 0.02 1
669 77 77 ALA C C 178.1 0.2 1
670 77 77 ALA CA C 53.8 0.2 1
671 77 77 ALA CB C 18.6 0.2 1
672 77 77 ALA N N 119.4 0.2 1
673 78 78 LEU H H 7.61 0.02 1
674 78 78 LEU HA H 4.38 0.02 1
675 78 78 LEU HB2 H 1.88 0.02 2
676 78 78 LEU HB3 H 1.10 0.02 2
677 78 78 LEU HD1 H 0.72 0.02 2
678 78 78 LEU C C 174.8 0.2 1
679 78 78 LEU CA C 52.9 0.2 1
680 78 78 LEU CB C 44.1 0.2 1
681 78 78 LEU CG C 27.6 0.2 1
682 78 78 LEU CD1 C 25.9 0.2 2
683 78 78 LEU CD2 C 23.6 0.2 2
684 78 78 LEU N N 119.4 0.2 1
685 79 79 LEU H H 7.22 0.02 1
686 79 79 LEU HA H 4.65 0.02 1
687 79 79 LEU HB2 H 2.19 0.02 2
688 79 79 LEU HB3 H 1.27 0.02 2
689 79 79 LEU HG H 1.12 0.02 1
690 79 79 LEU HD1 H 0.98 0.02 2
691 79 79 LEU C C 178.9 0.2 1
692 79 79 LEU CA C 55.1 0.2 1
693 79 79 LEU CB C 44.6 0.2 1
694 79 79 LEU CG C 28.1 0.2 1
695 79 79 LEU CD1 C 25.7 0.2 2
696 79 79 LEU N N 118.7 0.2 1
697 80 80 ARG H H 8.78 0.02 1
698 80 80 ARG HA H 4.22 0.02 1
699 80 80 ARG HB2 H 2.08 0.02 2
700 80 80 ARG HB3 H 1.51 0.02 2
701 80 80 ARG C C 174.8 0.2 1
702 80 80 ARG CA C 56.2 0.2 1
703 80 80 ARG CB C 30.7 0.2 1
704 80 80 ARG CG C 27.3 0.2 1
705 80 80 ARG CD C 43.9 0.2 1
706 80 80 ARG N N 124.0 0.2 1
707 81 81 ALA H H 7.42 0.02 1
708 81 81 ALA HA H 2.49 0.02 1
709 81 81 ALA HB H 0.81 0.02 1
710 81 81 ALA C C 177.6 0.2 1
711 81 81 ALA CA C 52.7 0.2 1
712 81 81 ALA CB C 18.6 0.2 1
713 81 81 ALA N N 124.4 0.2 1
714 82 82 LYS H H 8.19 0.02 1
715 82 82 LYS HA H 4.25 0.02 1
716 82 82 LYS HB2 H 1.89 0.02 2
717 82 82 LYS HB3 H 1.71 0.02 2
718 82 82 LYS HG2 H 1.38 0.02 2
719 82 82 LYS HG3 H 1.28 0.02 2
720 82 82 LYS HE2 H 2.81 0.02 2
721 82 82 LYS HE3 H 2.81 0.02 2
722 82 82 LYS C C 177.7 0.2 1
723 82 82 LYS CA C 55.8 0.2 1
724 82 82 LYS CB C 31.4 0.2 1
725 82 82 LYS CG C 24.9 0.2 1
726 82 82 LYS CD C 28.4 0.2 1
727 82 82 LYS CE C 42.2 0.2 1
728 82 82 LYS N N 114.5 0.2 1
729 83 83 GLU H H 7.12 0.02 1
730 83 83 GLU HA H 4.20 0.02 1
731 83 83 GLU HB2 H 2.24 0.02 2
732 83 83 GLU HB3 H 1.86 0.02 2
733 83 83 GLU CA C 55.8 0.2 1
734 83 83 GLU CB C 29.3 0.2 1
735 83 83 GLU N N 118.7 0.2 1
736 84 84 ALA HA H 4.21 0.02 1
737 84 84 ALA HB H 1.53 0.02 1
738 84 84 ALA C C 180.9 0.2 1
739 84 84 ALA CA C 55.7 0.2 1
740 84 84 ALA CB C 17.8 0.2 1
741 85 85 ARG H H 9.28 0.02 1
742 85 85 ARG HA H 4.06 0.02 1
743 85 85 ARG HB2 H 1.98 0.02 2
744 85 85 ARG HB3 H 1.62 0.02 2
745 85 85 ARG HG2 H 1.63 0.02 2
746 85 85 ARG HG3 H 1.63 0.02 2
747 85 85 ARG HD2 H 3.51 0.02 2
748 85 85 ARG HD3 H 3.12 0.02 2
749 85 85 ARG C C 178.2 0.2 1
750 85 85 ARG CA C 56.9 0.2 1
751 85 85 ARG CB C 29.9 0.2 1
752 85 85 ARG CG C 26.1 0.2 1
753 85 85 ARG CD C 42.6 0.2 1
754 85 85 ARG N N 115.8 0.2 1
755 86 86 TYR H H 7.27 0.02 1
756 86 86 TYR HA H 3.84 0.02 1
757 86 86 TYR HB2 H 3.47 0.02 2
758 86 86 TYR HB3 H 2.82 0.02 2
759 86 86 TYR HD1 H 6.84 0.02 3
760 86 86 TYR HD2 H 6.84 0.02 3
761 86 86 TYR HE1 H 6.62 0.02 3
762 86 86 TYR HE2 H 6.62 0.02 3
763 86 86 TYR C C 176.5 0.2 1
764 86 86 TYR CA C 61.2 0.2 1
765 86 86 TYR CB C 38.2 0.2 1
766 86 86 TYR CD1 C 134.1 0.2 3
767 86 86 TYR CD2 C 134.1 0.2 3
768 86 86 TYR CE1 C 117.8 0.2 3
769 86 86 TYR CE2 C 117.8 0.2 3
770 86 86 TYR N N 118.3 0.2 1
771 87 87 ALA H H 7.11 0.02 1
772 87 87 ALA HA H 4.34 0.02 1
773 87 87 ALA HB H 1.63 0.02 1
774 87 87 ALA C C 181.9 0.2 1
775 87 87 ALA CA C 54.4 0.2 1
776 87 87 ALA CB C 18.4 0.2 1
777 87 87 ALA N N 120.5 0.2 1
778 88 88 GLU H H 8.24 0.02 1
779 88 88 GLU HA H 3.98 0.02 1
780 88 88 GLU HB2 H 2.12 0.02 2
781 88 88 GLU HB3 H 2.05 0.02 2
782 88 88 GLU HG2 H 2.46 0.02 2
783 88 88 GLU HG3 H 2.26 0.02 2
784 88 88 GLU C C 178.8 0.2 1
785 88 88 GLU CA C 59.3 0.2 1
786 88 88 GLU CB C 30.5 0.2 1
787 88 88 GLU CG C 36.4 0.2 1
788 88 88 GLU N N 119.5 0.2 1
789 89 89 LEU H H 7.43 0.02 1
790 89 89 LEU HA H 4.28 0.02 1
791 89 89 LEU HB2 H 1.65 0.02 2
792 89 89 LEU HB3 H 1.49 0.02 2
793 89 89 LEU HG H 0.80 0.02 1
794 89 89 LEU HD1 H 0.85 0.02 2
795 89 89 LEU HD2 H 0.85 0.02 2
796 89 89 LEU C C 176.9 0.2 1
797 89 89 LEU CA C 54.5 0.2 1
798 89 89 LEU CB C 42.8 0.2 1
799 89 89 LEU CG C 26.7 0.2 1
800 89 89 LEU CD1 C 21.9 0.2 2
801 89 89 LEU CD2 C 21.7 0.2 2
802 89 89 LEU N N 115.1 0.2 1
803 90 90 GLY H H 7.69 0.02 1
804 90 90 GLY HA2 H 3.96 0.02 2
805 90 90 GLY HA3 H 3.84 0.02 2
806 90 90 GLY C C 176.9 0.2 1
807 90 90 GLY CA C 47.0 0.2 1
808 90 90 GLY N N 108.2 0.2 1
809 91 91 LEU H H 7.00 0.02 1
810 91 91 LEU HA H 3.77 0.02 1
811 91 91 LEU HB2 H 0.96 0.02 2
812 91 91 LEU HB3 H 0.25 0.02 2
813 91 91 LEU HG H 0.73 0.02 1
814 91 91 LEU HD1 H 0.48 0.02 2
815 91 91 LEU HD2 H 0.48 0.02 2
816 91 91 LEU CA C 55.7 0.2 1
817 91 91 LEU CB C 39.3 0.2 1
818 91 91 LEU CG C 27.8 0.2 1
819 91 91 LEU CD1 C 21.4 0.2 2
820 91 91 LEU CD2 C 21.3 0.2 2
821 91 91 LEU N N 113.0 0.2 1
822 92 92 ASP H H 8.51 0.02 1
823 92 92 ASP HA H 4.44 0.02 1
824 92 92 ASP HB2 H 2.74 0.02 2
825 92 92 ASP HB3 H 2.71 0.02 2
826 92 92 ASP C C 175.4 0.2 1
827 92 92 ASP CA C 54.8 0.2 1
828 92 92 ASP CB C 40.7 0.2 1
829 92 92 ASP N N 117.0 0.2 1
830 93 93 ASP H H 7.00 0.02 1
831 93 93 ASP HA H 4.58 0.02 1
832 93 93 ASP HB2 H 2.81 0.02 2
833 93 93 ASP HB3 H 2.72 0.02 2
834 93 93 ASP C C 176.0 0.2 1
835 93 93 ASP CA C 52.1 0.2 1
836 93 93 ASP CB C 41.5 0.2 1
837 93 93 ASP N N 120.6 0.2 1
838 94 94 PRO HA H 4.30 0.02 1
839 94 94 PRO HB2 H 2.28 0.02 2
840 94 94 PRO HB3 H 2.03 0.02 2
841 94 94 PRO HG2 H 2.02 0.02 2
842 94 94 PRO HG3 H 1.95 0.02 2
843 94 94 PRO HD2 H 4.10 0.02 2
844 94 94 PRO HD3 H 3.92 0.02 2
845 94 94 PRO C C 178.1 0.2 1
846 94 94 PRO CA C 63.8 0.2 1
847 94 94 PRO CB C 32.2 0.2 1
848 94 94 PRO CG C 26.8 0.2 1
849 94 94 PRO CD C 51.2 0.2 1
850 95 95 ALA H H 8.61 0.02 1
851 95 95 ALA HA H 4.27 0.02 1
852 95 95 ALA HB H 1.41 0.02 1
853 95 95 ALA C C 178.4 0.2 1
854 95 95 ALA CA C 52.5 0.2 1
855 95 95 ALA CB C 19.2 0.2 1
856 95 95 ALA N N 121.9 0.2 1
857 96 96 LEU H H 7.01 0.02 1
858 96 96 LEU HA H 4.17 0.02 1
859 96 96 LEU HB2 H 1.65 0.02 2
860 96 96 LEU HB3 H 1.17 0.02 2
861 96 96 LEU HG H 0.95 0.02 1
862 96 96 LEU C C 177.6 0.2 1
863 96 96 LEU CA C 55.5 0.2 1
864 96 96 LEU CB C 42.4 0.2 1
865 96 96 LEU CG C 27.3 0.2 1
866 96 96 LEU CD1 C 22.0 0.2 2
867 96 96 LEU CD2 C 22.0 0.2 2
868 96 96 LEU N N 117.6 0.2 1
869 97 97 SER H H 8.62 0.02 1
870 97 97 SER HA H 4.36 0.02 1
871 97 97 SER HB2 H 4.37 0.02 2
872 97 97 SER HB3 H 4.05 0.02 2
873 97 97 SER C C 174.4 0.2 1
874 97 97 SER CA C 57.3 0.2 1
875 97 97 SER CB C 64.9 0.2 1
876 97 97 SER N N 119.2 0.2 1
877 98 98 ASP H H 9.05 0.02 1
878 98 98 ASP HA H 4.27 0.02 1
879 98 98 ASP HB2 H 2.70 0.02 2
880 98 98 ASP HB3 H 2.54 0.02 2
881 98 98 ASP C C 178.1 0.2 1
882 98 98 ASP CA C 57.8 0.2 1
883 98 98 ASP CB C 40.1 0.2 1
884 98 98 ASP N N 122.0 0.2 1
885 99 99 GLU H H 8.25 0.02 1
886 99 99 GLU HA H 3.79 0.02 1
887 99 99 GLU HB2 H 1.97 0.02 2
888 99 99 GLU HB3 H 1.97 0.02 2
889 99 99 GLU C C 176.8 0.2 1
890 99 99 GLU CA C 59.9 0.2 1
891 99 99 GLU CB C 29.2 0.2 1
892 99 99 GLU N N 116.1 0.2 1
893 100 100 VAL H H 7.29 0.02 1
894 100 100 VAL HA H 3.81 0.02 1
895 100 100 VAL HB H 2.23 0.02 1
896 100 100 VAL HG1 H 1.08 0.02 2
897 100 100 VAL HG2 H 0.94 0.02 2
898 100 100 VAL C C 179.2 0.2 1
899 100 100 VAL CA C 65.6 0.2 1
900 100 100 VAL CB C 31.4 0.2 1
901 100 100 VAL CG1 C 22.9 0.2 2
902 100 100 VAL CG2 C 21.4 0.2 2
903 100 100 VAL N N 118.0 0.2 1
904 101 101 LEU H H 7.61 0.02 1
905 101 101 LEU HA H 3.95 0.02 1
906 101 101 LEU HB2 H 2.01 0.02 2
907 101 101 LEU HB3 H 1.13 0.02 2
908 101 101 LEU HG H 0.86 0.02 1
909 101 101 LEU HD1 H 0.77 0.02 2
910 101 101 LEU HD2 H 0.77 0.02 2
911 101 101 LEU CA C 58.1 0.2 1
912 101 101 LEU CB C 41.5 0.2 1
913 101 101 LEU CG C 26.1 0.2 1
914 101 101 LEU CD1 C 22.6 0.2 2
915 101 101 LEU CD2 C 22.6 0.2 2
916 101 101 LEU N N 120.1 0.2 1
917 102 102 ILE H H 8.26 0.02 1
918 102 102 ILE HA H 3.42 0.02 1
919 102 102 ILE HB H 1.82 0.02 1
920 102 102 ILE HG12 H 1.73 0.02 2
921 102 102 ILE HG13 H 0.58 0.02 2
922 102 102 ILE HG2 H 0.79 0.02 1
923 102 102 ILE HD1 H 0.79 0.02 1
924 102 102 ILE C C 177.7 0.2 1
925 102 102 ILE CA C 66.4 0.2 1
926 102 102 ILE CB C 38.5 0.2 1
927 102 102 ILE CG1 C 30.8 0.2 1
928 102 102 ILE CG2 C 17.2 0.2 1
929 102 102 ILE CD1 C 13.8 0.2 1
930 102 102 ILE N N 118.9 0.2 1
931 103 103 ASP H H 8.08 0.02 1
932 103 103 ASP HA H 4.32 0.02 1
933 103 103 ASP HB2 H 2.76 0.02 2
934 103 103 ASP HB3 H 2.62 0.02 2
935 103 103 ASP C C 179.4 0.2 1
936 103 103 ASP CA C 57.8 0.2 1
937 103 103 ASP CB C 40.1 0.2 1
938 103 103 ASP N N 118.0 0.2 1
939 104 104 ALA H H 8.21 0.02 1
940 104 104 ALA HA H 4.07 0.02 1
941 104 104 ALA HB H 1.43 0.02 1
942 104 104 ALA C C 179.9 0.2 1
943 104 104 ALA CA C 55.4 0.2 1
944 104 104 ALA CB C 17.7 0.2 1
945 104 104 ALA N N 121.5 0.2 1
946 105 105 MET H H 7.52 0.02 1
947 105 105 MET HA H 3.94 0.02 1
948 105 105 MET HB2 H 2.03 0.02 2
949 105 105 MET HB3 H 1.67 0.02 2
950 105 105 MET HG2 H 2.59 0.02 2
951 105 105 MET HG3 H 2.29 0.02 2
952 105 105 MET HE H 1.98 0.02 1
953 105 105 MET C C 176.7 0.2 1
954 105 105 MET CA C 59.5 0.2 1
955 105 105 MET CB C 35.4 0.2 1
956 105 105 MET CG C 35.6 0.2 1
957 105 105 MET CE C 17.8 0.2 1
958 105 105 MET N N 115.8 0.2 1
959 106 106 ILE H H 7.73 0.02 1
960 106 106 ILE HA H 4.02 0.02 1
961 106 106 ILE HB H 2.18 0.02 1
962 106 106 ILE HG12 H 1.67 0.02 2
963 106 106 ILE HG13 H 1.34 0.02 2
964 106 106 ILE HG2 H 0.98 0.02 1
965 106 106 ILE HD1 H 0.78 0.02 1
966 106 106 ILE C C 178.2 0.2 1
967 106 106 ILE CA C 62.0 0.2 1
968 106 106 ILE CB C 36.7 0.2 1
969 106 106 ILE CG1 C 27.4 0.2 1
970 106 106 ILE CG2 C 17.8 0.2 1
971 106 106 ILE CD1 C 11.2 0.2 1
972 106 106 ILE N N 118.1 0.2 1
973 107 107 SER H H 8.16 0.02 1
974 107 107 SER HA H 4.34 0.02 1
975 107 107 SER HB2 H 3.93 0.02 2
976 107 107 SER HB3 H 3.93 0.02 2
977 107 107 SER C C 174.8 0.2 1
978 107 107 SER CA C 60.4 0.2 1
979 107 107 SER CB C 64.0 0.2 1
980 107 107 SER N N 112.4 0.2 1
981 108 108 ASN H H 7.70 0.02 1
982 108 108 ASN HA H 5.29 0.02 1
983 108 108 ASN HB2 H 3.25 0.02 2
984 108 108 ASN HB3 H 2.09 0.02 2
985 108 108 ASN CA C 51.1 0.2 1
986 108 108 ASN CB C 40.2 0.2 1
987 108 108 ASN N N 116.4 0.2 1
988 109 109 PRO HA H 4.77 0.2 1
989 109 109 PRO HG2 H 2.21 0.02 2
990 109 109 PRO HG3 H 2.09 0.02 2
991 109 109 PRO HD2 H 3.82 0.02 2
992 109 109 PRO HD3 H 3.42 0.02 2
993 109 109 PRO CA C 65.8 0.2 1
994 109 109 PRO CB C 32.2 0.2 1
995 109 109 PRO CG C 27.7 0.2 1
996 109 109 PRO CD C 50.5 0.2 1
997 110 110 VAL H H 8.28 0.02 1
998 110 110 VAL HA H 4.05 0.02 1
999 110 110 VAL HB H 2.24 0.02 1
1000 110 110 VAL HG1 H 1.05 0.02 .
1001 110 110 VAL HG2 H 0.83 0.02 .
1002 110 110 VAL C C 175.2 0.2 1
1003 110 110 VAL CA C 64.6 0.2 1
1004 110 110 VAL CB C 31.2 0.2 1
1005 110 110 VAL CG1 C 22.1 0.2 2
1006 110 110 VAL CG2 C 20.1 0.2 2
1007 110 110 VAL N N 119.1 0.2 1
1008 111 111 LEU H H 8.42 0.02 1
1009 111 111 LEU HB2 H 1.92 0.02 2
1010 111 111 LEU HB3 H 1.49 0.02 2
1011 111 111 LEU HG H 0.78 0.02 1
1012 111 111 LEU CA C 55.4 0.2 1
1013 111 111 LEU CB C 44.2 0.2 1
1014 111 111 LEU CG C 27.0 0.2 1
1015 111 111 LEU N N 115.2 0.2 1
1016 112 112 MET H H 7.94 0.02 1
1017 112 112 MET HA H 4.06 0.02 1
1018 112 112 MET HB2 H 2.23 0.02 2
1019 112 112 MET HB3 H 1.50 0.02 2
1020 112 112 MET HG2 H 2.65 0.02 2
1021 112 112 MET HG3 H 2.43 0.02 2
1022 112 112 MET HE H 1.23 0.02 1
1023 112 112 MET CA C 56.5 0.2 1
1024 112 112 MET CB C 35.6 0.2 1
1025 112 112 MET CG C 31.8 0.2 1
1026 112 112 MET CE C 15.8 0.2 1
1027 112 112 MET N N 118.9 0.2 1
1028 113 113 ASN H H 9.14 0.02 1
1029 113 113 ASN HA H 4.64 0.02 1
1030 113 113 ASN HB2 H 2.95 0.02 2
1031 113 113 ASN HB3 H 2.63 0.02 2
1032 113 113 ASN C C 170.7 0.2 1
1033 113 113 ASN CA C 52.2 0.2 1
1034 113 113 ASN CB C 36.9 0.2 1
1035 113 113 ASN N N 125.8 0.2 1
1036 114 114 ARG H H 7.97 0.02 1
1037 114 114 ARG CA C 53.8 0.2 1
1038 114 114 ARG CB C 30.8 0.2 1
1039 114 114 ARG N N 113.2 0.2 1
1040 115 115 PRO HA H 4.82 0.02 1
1041 115 115 PRO HG2 H 1.67 0.02 2
1042 115 115 PRO HG3 H 1.53 0.02 2
1043 115 115 PRO HD2 H 3.78 0.02 2
1044 115 115 PRO HD3 H 3.78 0.02 2
1045 115 115 PRO C C 175.4 0.2 1
1046 115 115 PRO CA C 62.6 0.2 1
1047 115 115 PRO CB C 33.4 0.2 1
1048 115 115 PRO CG C 26.0 0.2 1
1049 115 115 PRO CD C 50.2 0.2 1
1050 116 116 VAL H H 7.84 0.02 1
1051 116 116 VAL HA H 5.08 0.02 1
1052 116 116 VAL HB H 1.93 0.02 1
1053 116 116 VAL HG1 H 0.79 0.02 2
1054 116 116 VAL HG2 H 0.79 0.02 2
1055 116 116 VAL C C 174.5 0.2 1
1056 116 116 VAL CA C 62.5 0.2 1
1057 116 116 VAL CB C 33.0 0.2 1
1058 116 116 VAL CG1 C 21.9 0.2 2
1059 116 116 VAL CG2 C 21.9 0.2 2
1060 116 116 VAL N N 124.5 0.2 1
1061 117 117 VAL H H 8.67 0.02 1
1062 117 117 VAL HA H 4.78 0.02 1
1063 117 117 VAL HB H 1.82 0.02 1
1064 117 117 VAL HG1 H 0.89 0.02 2
1065 117 117 VAL HG2 H 0.78 0.02 2
1066 117 117 VAL CA C 61.0 0.2 1
1067 117 117 VAL CB C 34.8 0.2 1
1068 117 117 VAL CG1 C 23.5 0.2 2
1069 117 117 VAL CG2 C 21.7 0.2 2
1070 117 117 VAL N N 128.0 0.2 1
1071 118 118 VAL H H 9.11 0.02 1
1072 118 118 VAL HB H 2.08 0.02 1
1073 118 118 VAL HG1 H 1.12 0.02 2
1074 118 118 VAL HG2 H 0.96 0.02 2
1075 118 118 VAL C C 175.7 0.2 1
1076 118 118 VAL CA C 61.2 0.2 1
1077 118 118 VAL CB C 35.0 0.2 1
1078 118 118 VAL CG1 C 20.8 0.2 2
1079 118 118 VAL CG2 C 20.7 0.2 2
1080 118 118 VAL N N 125.7 0.2 1
1081 119 119 THR H H 9.37 0.02 1
1082 119 119 THR HA H 5.49 0.02 1
1083 119 119 THR HB H 4.97 0.02 1
1084 119 119 THR HG2 H 1.24 0.02 1
1085 119 119 THR CA C 58.8 0.2 1
1086 119 119 THR CB C 69.8 0.2 1
1087 119 119 THR CG2 C 23.2 0.2 1
1088 119 119 THR N N 118.5 0.2 1
1089 120 120 PRO HA H 4.48 0.02 1
1090 120 120 PRO HB2 H 2.54 0.02 2
1091 120 120 PRO HB3 H 1.85 0.02 2
1092 120 120 PRO HG2 H 2.22 0.02 2
1093 120 120 PRO HG3 H 2.10 0.02 2
1094 120 120 PRO HD2 H 4.26 0.02 2
1095 120 120 PRO HD3 H 3.86 0.02 2
1096 120 120 PRO C C 177.8 0.2 1
1097 120 120 PRO CA C 65.1 0.2 1
1098 120 120 PRO CB C 32.3 0.2 1
1099 120 120 PRO CG C 28.8 0.2 1
1100 120 120 PRO CD C 50.7 0.2 1
1101 121 121 LYS H H 8.36 0.02 1
1102 121 121 LYS HA H 4.26 0.02 1
1103 121 121 LYS HB2 H 1.97 0.02 2
1104 121 121 LYS HB3 H 1.51 0.02 2
1105 121 121 LYS HG2 H 1.42 0.02 2
1106 121 121 LYS HG3 H 1.31 0.02 2
1107 121 121 LYS C C 176.4 0.2 1
1108 121 121 LYS CA C 57.2 0.2 1
1109 121 121 LYS CB C 33.8 0.2 1
1110 121 121 LYS CG C 26.8 0.2 1
1111 121 121 LYS CD C 29.4 0.2 1
1112 121 121 LYS CE C 33.9 0.2 1
1113 121 121 LYS N N 113.6 0.2 1
1114 122 122 GLY H H 7.90 0.02 1
1115 122 122 GLY HA2 H 4.31 0.02 2
1116 122 122 GLY HA3 H 3.85 0.02 2
1117 122 122 GLY C C 169.5 0.2 1
1118 122 122 GLY CA C 45.1 0.2 1
1119 122 122 GLY N N 108.4 0.2 1
1120 123 123 VAL H H 8.08 0.02 1
1121 123 123 VAL HA H 5.46 0.02 1
1122 123 123 VAL HB H 1.67 0.02 1
1123 123 123 VAL HG1 H 1.05 0.02 2
1124 123 123 VAL HG2 H 0.90 0.02 2
1125 123 123 VAL C C 176.1 0.2 1
1126 123 123 VAL CA C 60.0 0.2 1
1127 123 123 VAL CB C 34.8 0.2 1
1128 123 123 VAL CG1 C 22.7 0.2 2
1129 123 123 VAL CG2 C 22.1 0.2 2
1130 123 123 VAL N N 117.1 0.2 1
1131 124 124 ARG H H 8.51 0.02 1
1132 124 124 ARG HA H 4.66 0.02 1
1133 124 124 ARG HB2 H 1.59 0.02 2
1134 124 124 ARG HB3 H 1.59 0.02 2
1135 124 124 ARG HG2 H 1.57 0.02 2
1136 124 124 ARG HG3 H 1.47 0.02 2
1137 124 124 ARG HD2 H 3.33 0.02 2
1138 124 124 ARG HD3 H 2.96 0.02 2
1139 124 124 ARG C C 174.8 0.2 1
1140 124 124 ARG CA C 54.4 0.2 1
1141 124 124 ARG CB C 35.9 0.2 1
1142 124 124 ARG CG C 27.5 0.2 1
1143 124 124 ARG CD C 43.0 0.2 1
1144 124 124 ARG N N 122.3 0.2 1
1145 125 125 LEU H H 8.86 0.02 1
1146 125 125 LEU HA H 4.60 0.02 1
1147 125 125 LEU HB2 H 2.01 0.02 2
1148 125 125 LEU HB3 H 1.12 0.02 2
1149 125 125 LEU HG H 0.88 0.02 1
1150 125 125 LEU HD1 H 0.42 0.02 2
1151 125 125 LEU HD2 H 0.42 0.02 2
1152 125 125 LEU C C 176.5 0.2 1
1153 125 125 LEU CA C 54.7 0.2 1
1154 125 125 LEU CB C 40.9 0.2 1
1155 125 125 LEU CG C 25.9 0.2 1
1156 125 125 LEU CD1 C 22.3 0.2 2
1157 125 125 LEU CD2 C 22.3 0.2 2
1158 125 125 LEU N N 125.5 0.2 1
1159 126 126 CYS H H 8.54 0.02 1
1160 126 126 CYS HA H 4.49 0.02 1
1161 126 126 CYS HB2 H 2.88 0.02 2
1162 126 126 CYS HB3 H 2.60 0.02 2
1163 126 126 CYS C C 172.0 0.2 1
1164 126 126 CYS CA C 59.9 0.2 1
1165 126 126 CYS CB C 27.3 0.2 1
1166 126 126 CYS N N 129.7 0.2 1
1167 127 127 ARG H H 6.93 0.02 1
1168 127 127 ARG HA H 4.19 0.02 1
1169 127 127 ARG HB2 H 1.85 0.02 2
1170 127 127 ARG HB3 H 1.50 0.02 2
1171 127 127 ARG HG2 H 1.50 0.02 2
1172 127 127 ARG HG3 H 1.18 0.02 2
1173 127 127 ARG HD2 H 3.63 0.02 2
1174 127 127 ARG HD3 H 2.93 0.02 2
1175 127 127 ARG CA C 53.2 0.2 1
1176 127 127 ARG CB C 33.4 0.2 1
1177 127 127 ARG CG C 28.3 0.2 1
1178 127 127 ARG CD C 43.0 0.2 1
1179 127 127 ARG N N 117.5 0.2 1
1180 128 128 PRO HB2 H 2.57 0.02 2
1181 128 128 PRO HB3 H 2.41 0.02 2
1182 128 128 PRO HG2 H 2.03 0.02 2
1183 128 128 PRO HG3 H 1.76 0.02 2
1184 128 128 PRO HD2 H 3.60 0.02 2
1185 128 128 PRO HD3 H 3.49 0.02 2
1186 128 128 PRO C C 177.1 0.2 1
1187 128 128 PRO CA C 63.2 0.2 1
1188 128 128 PRO CB C 35.3 0.2 1
1189 128 128 PRO CG C 25.7 0.2 1
1190 128 128 PRO CD C 50.3 0.2 1
1191 129 129 ALA H H 9.32 0.02 1
1192 129 129 ALA HA H 3.85 0.02 1
1193 129 129 ALA HB H 1.46 0.02 1
1194 129 129 ALA C C 177.7 0.2 1
1195 129 129 ALA CA C 55.2 0.2 1
1196 129 129 ALA CB C 19.9 0.2 1
1197 129 129 ALA N N 124.0 0.2 1
1198 130 130 GLU H H 9.49 0.02 1
1199 130 130 GLU HA H 3.84 0.02 1
1200 130 130 GLU HB2 H 2.06 0.02 2
1201 130 130 GLU HB3 H 2.06 0.02 2
1202 130 130 GLU HG2 H 2.45 0.02 2
1203 130 130 GLU HG3 H 2.24 0.02 2
1204 130 130 GLU C C 178.2 0.2 1
1205 130 130 GLU CA C 60.5 0.2 1
1206 130 130 GLU CB C 28.1 0.2 1
1207 130 130 GLU CG C 37.3 0.2 1
1208 130 130 GLU N N 111.6 0.2 1
1209 131 131 THR H H 7.94 0.02 1
1210 131 131 THR HA H 4.04 0.02 1
1211 131 131 THR HB H 3.98 0.02 1
1212 131 131 THR HG2 H 1.29 0.02 1
1213 131 131 THR C C 175.8 0.2 1
1214 131 131 THR CA C 65.6 0.2 1
1215 131 131 THR CB C 69.8 0.2 1
1216 131 131 THR CG2 C 22.0 0.2 1
1217 131 131 THR N N 116.1 0.2 1
1218 132 132 VAL H H 8.13 0.02 1
1219 132 132 VAL HA H 3.88 0.02 1
1220 132 132 VAL HB H 2.11 0.02 1
1221 132 132 VAL HG1 H 1.05 0.02 2
1222 132 132 VAL HG2 H 1.02 0.02 2
1223 132 132 VAL C C 176.5 0.2 1
1224 132 132 VAL CA C 64.1 0.2 1
1225 132 132 VAL CB C 32.4 0.2 1
1226 132 132 VAL CG1 C 22.8 0.2 2
1227 132 132 VAL CG2 C 20.4 0.2 2
1228 132 132 VAL N N 119.2 0.2 1
1229 133 133 GLN H H 7.69 0.02 1
1230 133 133 GLN HA H 3.85 0.02 1
1231 133 133 GLN HB2 H 2.16 0.02 2
1232 133 133 GLN HB3 H 2.16 0.02 2
1233 133 133 GLN HG2 H 2.50 0.02 2
1234 133 133 GLN HG3 H 2.39 0.02 2
1235 133 133 GLN HE21 H 7.28 0.02 2
1236 133 133 GLN HE22 H 6.97 0.02 2
1237 133 133 GLN C C 178.5 0.2 1
1238 133 133 GLN CA C 58.8 0.2 1
1239 133 133 GLN CB C 28.0 0.2 1
1240 133 133 GLN CG C 34.3 0.2 1
1241 133 133 GLN N N 118.5 0.2 1
1242 133 133 GLN NE2 N 110.3 0.2 1
1243 134 134 GLU H H 7.62 0.02 1
1244 134 134 GLU HA H 4.14 0.02 1
1245 134 134 GLU HB2 H 2.09 0.02 2
1246 134 134 GLU HB3 H 1.98 0.02 2
1247 134 134 GLU HG2 H 2.35 0.02 2
1248 134 134 GLU HG3 H 2.35 0.02 2
1249 134 134 GLU C C 177.0 0.2 1
1250 134 134 GLU CA C 57.8 0.2 1
1251 134 134 GLU CB C 29.9 0.2 1
1252 134 134 GLU CG C 36.5 0.2 1
1253 134 134 GLU N N 115.2 0.2 1
1254 135 135 LEU H H 7.74 0.02 1
1255 135 135 LEU HA H 4.22 0.02 1
1256 135 135 LEU HB2 H 1.81 0.02 2
1257 135 135 LEU HB3 H 1.68 0.02 2
1258 135 135 LEU HG H 0.72 0.02 1
1259 135 135 LEU HD1 H 0.48 0.02 2
1260 135 135 LEU HD2 H 0.48 0.02 2
1261 135 135 LEU C C 176.1 0.2 1
1262 135 135 LEU CA C 53.8 0.2 1
1263 135 135 LEU CB C 43.3 0.2 1
1264 135 135 LEU CG C 26.2 0.2 1
1265 135 135 LEU CD1 C 21.0 0.2 2
1266 135 135 LEU CD2 C 21.0 0.2 2
1267 135 135 LEU N N 115.6 0.2 1
1268 136 136 LEU H H 6.83 0.02 1
1269 136 136 LEU HA H 4.29 0.02 1
1270 136 136 LEU HB2 H 1.65 0.02 2
1271 136 136 LEU HB3 H 1.56 0.02 2
1272 136 136 LEU HD1 H 0.70 0.02 2
1273 136 136 LEU HD2 H 0.70 0.02 2
1274 136 136 LEU CA C 55.6 0.2 1
1275 136 136 LEU CB C 43.1 0.2 1
1276 136 136 LEU CD1 C 22.3 0.2 2
1277 136 136 LEU CD2 C 22.3 0.2 2
1278 136 136 LEU N N 125.3 0.2 1
stop_
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