data_6564
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Chemical Shift Assignment for OSCP-NT (1-120)
;
_BMRB_accession_number 6564
_BMRB_flat_file_name bmr6564.str
_Entry_type original
_Submission_date 2005-03-21
_Accession_date 2005-03-21
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details
;
NMR assignments for the N-terminal domain (1-120) of OSCP (oligomycin
sensitivity conferral protein) from bovine ATPase.
;
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Carbajo Rodrigo J. .
2 Kellas Fiona A. .
3 Runswick Michael J. .
4 Walker John E. .
5 Neuhaus David . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 714
"13C chemical shifts" 419
"15N chemical shifts" 120
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2005-09-22 original author .
stop_
_Original_release_date 2005-09-22
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structure of the F(1)-binding Domain of the Stator of Bovine F(1)F(o)-ATPase
and How it Binds an alpha-Subunit.
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Carbajo Rodrigo J. .
2 Kellas Fiona A. .
3 Runswick Michael J. .
4 Montgomery Martin G. .
5 Walker John E. .
6 Neuhaus David . .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 351
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 824
_Page_last 838
_Year 2005
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'OSCP N-terminal domain'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'OSCP N-terminal domain' $N-terminal_OSCP
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state protein
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details
;
N-terminal domain (1-120) of OSCP (oligomycin sensitivity conferral protein;
full length: 190 aa).
;
save_
########################
# Monomeric polymers #
########################
save_N-terminal_OSCP
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Nt OSCP'
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 120
_Mol_residue_sequence
;
FAKLVRPPVQIYGIEGRYAT
ALYSAASKQNKLEQVEKELL
RVGQILKEPKMAASLLNPYV
KRSVKVKSLSDMTAKEKFSP
LTSNLINLLAENGRLTNTPA
VISAFSTMMSVHRGEVPCTV
;
loop_
_Residue_seq_code
_Residue_label
1 PHE 2 ALA 3 LYS 4 LEU 5 VAL
6 ARG 7 PRO 8 PRO 9 VAL 10 GLN
11 ILE 12 TYR 13 GLY 14 ILE 15 GLU
16 GLY 17 ARG 18 TYR 19 ALA 20 THR
21 ALA 22 LEU 23 TYR 24 SER 25 ALA
26 ALA 27 SER 28 LYS 29 GLN 30 ASN
31 LYS 32 LEU 33 GLU 34 GLN 35 VAL
36 GLU 37 LYS 38 GLU 39 LEU 40 LEU
41 ARG 42 VAL 43 GLY 44 GLN 45 ILE
46 LEU 47 LYS 48 GLU 49 PRO 50 LYS
51 MET 52 ALA 53 ALA 54 SER 55 LEU
56 LEU 57 ASN 58 PRO 59 TYR 60 VAL
61 LYS 62 ARG 63 SER 64 VAL 65 LYS
66 VAL 67 LYS 68 SER 69 LEU 70 SER
71 ASP 72 MET 73 THR 74 ALA 75 LYS
76 GLU 77 LYS 78 PHE 79 SER 80 PRO
81 LEU 82 THR 83 SER 84 ASN 85 LEU
86 ILE 87 ASN 88 LEU 89 LEU 90 ALA
91 GLU 92 ASN 93 GLY 94 ARG 95 LEU
96 THR 97 ASN 98 THR 99 PRO 100 ALA
101 VAL 102 ILE 103 SER 104 ALA 105 PHE
106 SER 107 THR 108 MET 109 MET 110 SER
111 VAL 112 HIS 113 ARG 114 GLY 115 GLU
116 VAL 117 PRO 118 CYS 119 THR 120 VAL
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 15072 oscp-nt 100.00 120 100.00 100.00 2.50e-80
PDB 2BO5 "Bovine Oligomycin Sensitivity Conferral Protein N-Terminal Domain" 100.00 120 100.00 100.00 2.50e-80
PDB 2JMX "Oscp-Nt (1-120) In Complex With N-Terminal (1-25) Alpha Subunit From F1-Atpase" 100.00 120 100.00 100.00 2.50e-80
PDB 4B2Q "Model Of The Yeast F1fo-atp Synthase Dimer Based On Subtomogram Average" 100.00 120 100.00 100.00 2.50e-80
GB AAA30676 "oligomycin sensitivity conferral protein precursor [Bos taurus]" 100.00 213 100.00 100.00 4.42e-80
GB AAI02205 "ATP synthase, H+ transporting, mitochondrial F1 complex, O subunit [Bos taurus]" 100.00 213 100.00 100.00 4.61e-80
GB ELR58089 "ATP synthase subunit O, mitochondrial [Bos mutus]" 100.00 213 98.33 98.33 6.61e-78
PRF 1002210A "protein,oligomycin sensitivity" 100.00 190 98.33 99.17 1.62e-78
REF NP_776669 "ATP synthase subunit O, mitochondrial precursor [Bos taurus]" 100.00 213 100.00 100.00 4.42e-80
REF XP_005674722 "PREDICTED: ATP synthase subunit O, mitochondrial [Capra hircus]" 100.00 213 97.50 99.17 3.96e-78
REF XP_005893414 "PREDICTED: ATP synthase subunit O, mitochondrial [Bos mutus]" 100.00 213 98.33 98.33 6.61e-78
REF XP_005956973 "PREDICTED: ATP synthase subunit O, mitochondrial isoform X1 [Pantholops hodgsonii]" 100.00 213 97.50 99.17 3.67e-78
REF XP_005956974 "PREDICTED: ATP synthase subunit O, mitochondrial isoform X2 [Pantholops hodgsonii]" 100.00 194 97.50 99.17 2.98e-78
SP P13621 "RecName: Full=ATP synthase subunit O, mitochondrial; AltName: Full=Oligomycin sensitivity conferral protein; Short=OSCP; Flags:" 100.00 213 100.00 100.00 4.61e-80
TPG DAA33707 "TPA: ATP synthase subunit O, mitochondrial precursor [Bos taurus]" 100.00 213 100.00 100.00 4.61e-80
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Organ
_Organelle
$N-terminal_OSCP Cow 9913 Eukaryota Metazoa Bos taurus heart mitochondrion
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
$N-terminal_OSCP 'recombinant technology' . . . . .
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
$N-terminal_OSCP 0.5 mM '[U-95% 13C; U-90% 15N]'
NaCl 0.5 M .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name xwinnmr
_Version .
loop_
_Vendor
_Address
_Electronic_address
BRUKER . .
stop_
loop_
_Task
acquisition
processing
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Task
'NMR analysis'
stop_
_Details
;
T. D. Goddard and D. G. Kneller, SPARKY 3,
University of California, San Francisco
;
save_
save_software_3
_Saveframe_category software
_Name CNS
_Version .
loop_
_Task
'NMR structure calculations'
stop_
_Details
;
"CRYSTALLOGRAPHY AND NMR SYSTEM (CNS): A NEW SOFTWARE SYSTEM FOR MACROMOLECULAR
STRUCTURE DETERMINATION". BRUNGER A.T., ADA
;
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_800MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
save_600MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DMX
_Field_strength 600
_Details .
save_
save_500MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DMX
_Field_strength 500
_Details Cryoprobe
save_
#############################
# NMR applied experiments #
#############################
save_1H15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H15N_HSQC
_Sample_label $sample_1
save_
save_1H13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H13C_HSQC
_Sample_label $sample_1
save_
save_1H1H_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H1H_NOESY
_Sample_label $sample_1
save_
save_1H1H_TOCSY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H1H_TOCSY
_Sample_label $sample_1
save_
save_15N_NOESY_HSQC_5
_Saveframe_category NMR_applied_experiment
_Experiment_name 15N_NOESY_HSQC
_Sample_label $sample_1
save_
save_13C_NOESY_HSQC_6
_Saveframe_category NMR_applied_experiment
_Experiment_name 13C_NOESY_HSQC
_Sample_label $sample_1
save_
save_HNCA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label $sample_1
save_
save_CBCA(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_Sample_label $sample_1
save_
save_HCCH_COSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH_COSY
_Sample_label $sample_1
save_
save_1H15N_HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H15N_HSQC
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details '0.5 M NaCl concentration'
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 0.1 pH
temperature 300 1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
TSP C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 $citation_1 $citation_1
TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.0 $citation_1 $citation_1
TSP N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 $citation_1 $citation_1
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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name 'OSCP N-terminal domain'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 PHE HA H 4.74 0.01 1
2 1 1 PHE HB2 H 3.12 0.01 2
3 1 1 PHE HB3 H 3.24 0.01 2
4 1 1 PHE HD1 H 7.37 0.01 1
5 1 1 PHE HD2 H 7.37 0.01 1
6 1 1 PHE HE1 H 7.44 0.01 1
7 1 1 PHE HE2 H 7.44 0.01 1
8 1 1 PHE HZ H 7.38 0.01 1
9 1 1 PHE CA C 57.8 0.2 1
10 1 1 PHE CB C 39.5 0.2 1
11 1 1 PHE CD1 C 131.9 0.2 1
12 1 1 PHE CD2 C 131.9 0.2 1
13 1 1 PHE CE1 C 131.9 0.2 1
14 1 1 PHE CE2 C 131.9 0.2 1
15 1 1 PHE CZ C 130.0 0.2 1
16 2 2 ALA H H 8.36 0.01 1
17 2 2 ALA HA H 4.36 0.01 1
18 2 2 ALA HB H 1.41 0.01 1
19 2 2 ALA CA C 52.4 0.2 1
20 2 2 ALA CB C 19.6 0.2 1
21 2 2 ALA N N 126.2 0.2 1
22 3 3 LYS H H 8.19 0.01 1
23 3 3 LYS HA H 4.31 0.01 1
24 3 3 LYS HB2 H 1.80 0.01 2
25 3 3 LYS HB3 H 1.88 0.01 2
26 3 3 LYS HG2 H 1.48 0.01 2
27 3 3 LYS HG3 H 1.52 0.01 2
28 3 3 LYS HD2 H 1.78 0.01 1
29 3 3 LYS HD3 H 1.78 0.01 1
30 3 3 LYS HE2 H 3.06 0.01 1
31 3 3 LYS HE3 H 3.06 0.01 1
32 3 3 LYS CA C 56.3 0.2 1
33 3 3 LYS CB C 33.1 0.2 1
34 3 3 LYS CG C 24.9 0.2 1
35 3 3 LYS CD C 29.2 0.2 1
36 3 3 LYS CE C 42.2 0.2 1
37 3 3 LYS N N 120.5 0.2 1
38 4 4 LEU H H 8.25 0.01 1
39 4 4 LEU HA H 4.44 0.01 1
40 4 4 LEU HB2 H 1.63 0.01 2
41 4 4 LEU HB3 H 1.70 0.01 2
42 4 4 LEU HG H 1.68 0.01 1
43 4 4 LEU HD1 H 0.93 0.01 2
44 4 4 LEU HD2 H 0.98 0.01 2
45 4 4 LEU CA C 55.1 0.2 1
46 4 4 LEU CB C 42.5 0.2 1
47 4 4 LEU CG C 26.9 0.2 1
48 4 4 LEU CD1 C 23.9 0.2 2
49 4 4 LEU CD2 C 25.0 0.2 2
50 4 4 LEU N N 123.7 0.2 1
51 5 5 VAL H H 8.25 0.01 1
52 5 5 VAL HA H 4.16 0.01 1
53 5 5 VAL HB H 2.12 0.01 1
54 5 5 VAL HG1 H 0.98 0.01 2
55 5 5 VAL HG2 H 1.01 0.01 2
56 5 5 VAL CA C 62.2 0.2 1
57 5 5 VAL CB C 32.5 0.2 1
58 5 5 VAL CG1 C 21.2 0.2 2
59 5 5 VAL CG2 C 20.8 0.2 2
60 5 5 VAL N N 122.4 0.2 1
61 6 6 ARG H H 8.38 0.01 1
62 6 6 ARG HA H 4.68 0.01 1
63 6 6 ARG HB2 H 1.76 0.01 2
64 6 6 ARG HB3 H 1.88 0.01 2
65 6 6 ARG HG2 H 1.70 0.01 1
66 6 6 ARG HG3 H 1.70 0.01 1
67 6 6 ARG HD2 H 3.25 0.01 1
68 6 6 ARG HD3 H 3.25 0.01 1
69 6 6 ARG CA C 53.6 0.2 1
70 6 6 ARG CB C 30.4 0.2 1
71 6 6 ARG CG C 26.9 0.2 1
72 6 6 ARG CD C 43.5 0.2 1
73 6 6 ARG N N 125.9 0.2 1
74 7 7 PRO HA H 4.64 0.01 1
75 7 7 PRO HB2 H 1.90 0.01 2
76 7 7 PRO HB3 H 2.28 0.01 2
77 7 7 PRO HG2 H 1.96 0.01 1
78 7 7 PRO HG3 H 1.96 0.01 1
79 7 7 PRO HD2 H 3.68 0.01 2
80 7 7 PRO HD3 H 3.87 0.01 2
81 7 7 PRO CA C 61.3 0.2 1
82 7 7 PRO CB C 30.9 0.2 1
83 7 7 PRO CG C 27.4 0.2 1
84 7 7 PRO CD C 50.5 0.2 1
85 8 8 PRO HA H 4.50 0.01 1
86 8 8 PRO HB2 H 1.95 0.01 2
87 8 8 PRO HB3 H 2.33 0.01 2
88 8 8 PRO HG2 H 2.09 0.01 1
89 8 8 PRO HG3 H 2.09 0.01 1
90 8 8 PRO HD2 H 3.53 0.01 2
91 8 8 PRO HD3 H 3.77 0.01 2
92 8 8 PRO CA C 63.3 0.2 1
93 8 8 PRO CB C 31.9 0.2 1
94 8 8 PRO CG C 27.4 0.2 1
95 8 8 PRO CD C 50.3 0.2 1
96 9 9 VAL H H 7.85 0.01 1
97 9 9 VAL HA H 4.16 0.01 1
98 9 9 VAL HB H 2.07 0.01 1
99 9 9 VAL HG1 H 0.91 0.01 2
100 9 9 VAL HG2 H 0.95 0.01 2
101 9 9 VAL CA C 61.8 0.2 1
102 9 9 VAL CB C 32.0 0.2 1
103 9 9 VAL CG1 C 21.2 0.2 2
104 9 9 VAL CG2 C 20.8 0.2 2
105 9 9 VAL N N 117.8 0.2 1
106 10 10 GLN H H 8.39 0.01 1
107 10 10 GLN HA H 4.35 0.01 1
108 10 10 GLN HB2 H 1.96 0.01 1
109 10 10 GLN HB3 H 1.96 0.01 1
110 10 10 GLN HG2 H 2.30 0.01 1
111 10 10 GLN HG3 H 2.30 0.01 1
112 10 10 GLN HE21 H 6.87 0.01 2
113 10 10 GLN HE22 H 7.48 0.01 2
114 10 10 GLN CA C 55.7 0.2 1
115 10 10 GLN CB C 29.3 0.2 1
116 10 10 GLN CG C 33.8 0.2 1
117 10 10 GLN N N 123.9 0.2 1
118 10 10 GLN NE2 N 112.2 0.2 1
119 11 11 ILE H H 8.01 0.01 1
120 11 11 ILE HA H 4.15 0.01 1
121 11 11 ILE HB H 1.72 0.01 1
122 11 11 ILE HG12 H 1.11 0.01 2
123 11 11 ILE HG13 H 1.28 0.01 2
124 11 11 ILE HG2 H 0.81 0.01 1
125 11 11 ILE HD1 H 0.81 0.01 1
126 11 11 ILE CA C 60.9 0.2 1
127 11 11 ILE CB C 38.8 0.2 1
128 11 11 ILE CG1 C 27.0 0.2 1
129 11 11 ILE CG2 C 17.5 0.2 1
130 11 11 ILE CD1 C 13.1 0.2 1
131 11 11 ILE N N 122.3 0.2 1
132 12 12 TYR H H 8.36 0.01 1
133 12 12 TYR HA H 4.74 0.01 1
134 12 12 TYR HB2 H 2.92 0.01 2
135 12 12 TYR HB3 H 3.24 0.01 2
136 12 12 TYR HD1 H 7.19 0.01 1
137 12 12 TYR HD2 H 7.19 0.01 1
138 12 12 TYR HE1 H 6.85 0.01 1
139 12 12 TYR HE2 H 6.85 0.01 1
140 12 12 TYR CA C 57.9 0.2 1
141 12 12 TYR CB C 39.1 0.2 1
142 12 12 TYR CD1 C 133.1 0.2 1
143 12 12 TYR CD2 C 133.1 0.2 1
144 12 12 TYR CE1 C 118.2 0.2 1
145 12 12 TYR CE2 C 118.2 0.2 1
146 12 12 TYR N N 123.7 0.2 1
147 13 13 GLY H H 8.29 0.01 1
148 13 13 GLY HA2 H 4.03 0.01 1
149 13 13 GLY HA3 H 4.24 0.01 1
150 13 13 GLY CA C 45.3 0.2 1
151 13 13 GLY N N 109.3 0.2 1
152 14 14 ILE H H 8.64 0.01 1
153 14 14 ILE HA H 3.79 0.01 1
154 14 14 ILE HB H 1.84 0.01 1
155 14 14 ILE HG12 H 1.20 0.01 2
156 14 14 ILE HG13 H 1.48 0.01 2
157 14 14 ILE HG2 H 0.86 0.01 1
158 14 14 ILE HD1 H 0.91 0.01 1
159 14 14 ILE CA C 64.0 0.2 1
160 14 14 ILE CB C 38.0 0.2 1
161 14 14 ILE CG1 C 28.8 0.2 1
162 14 14 ILE CG2 C 17.5 0.2 1
163 14 14 ILE CD1 C 13.3 0.2 1
164 14 14 ILE N N 122.8 0.2 1
165 15 15 GLU H H 9.47 0.01 1
166 15 15 GLU HA H 4.02 0.01 1
167 15 15 GLU HG2 H 2.15 0.01 2
168 15 15 GLU HG3 H 2.75 0.01 2
169 15 15 GLU CA C 61.2 0.2 1
170 15 15 GLU CG C 38.3 0.2 1
171 15 15 GLU N N 120.5 0.2 1
172 16 16 GLY H H 7.94 0.01 1
173 16 16 GLY HA2 H 3.68 0.01 2
174 16 16 GLY HA3 H 3.93 0.01 2
175 16 16 GLY CA C 47.2 0.2 1
176 16 16 GLY N N 107.0 0.2 1
177 17 17 ARG H H 8.15 0.01 1
178 17 17 ARG HA H 4.21 0.01 1
179 17 17 ARG HB2 H 1.91 0.01 2
180 17 17 ARG HB3 H 2.00 0.01 2
181 17 17 ARG HG2 H 1.60 0.01 2
182 17 17 ARG HG3 H 1.76 0.01 2
183 17 17 ARG HD2 H 3.15 0.01 2
184 17 17 ARG HD3 H 3.21 0.01 2
185 17 17 ARG CA C 59.6 0.2 1
186 17 17 ARG CB C 29.6 0.2 1
187 17 17 ARG CG C 27.3 0.2 1
188 17 17 ARG CD C 43.7 0.2 1
189 17 17 ARG N N 124.0 0.2 1
190 18 18 TYR H H 8.15 0.01 1
191 18 18 TYR HA H 4.44 0.01 1
192 18 18 TYR HB2 H 3.03 0.01 2
193 18 18 TYR HB3 H 3.19 0.01 2
194 18 18 TYR HD1 H 7.10 0.01 1
195 18 18 TYR HD2 H 7.10 0.01 1
196 18 18 TYR HE1 H 6.68 0.01 1
197 18 18 TYR HE2 H 6.68 0.01 1
198 18 18 TYR CA C 60.5 0.2 1
199 18 18 TYR CB C 37.9 0.2 1
200 18 18 TYR CD1 C 131.9 0.2 1
201 18 18 TYR CD2 C 131.9 0.2 1
202 18 18 TYR CE1 C 118.3 0.2 1
203 18 18 TYR CE2 C 118.3 0.2 1
204 18 18 TYR N N 119.0 0.2 1
205 19 19 ALA H H 8.45 0.01 1
206 19 19 ALA HA H 4.21 0.01 1
207 19 19 ALA HB H 1.80 0.01 1
208 19 19 ALA CA C 55.9 0.2 1
209 19 19 ALA CB C 19.1 0.2 1
210 19 19 ALA N N 120.7 0.2 1
211 20 20 THR H H 8.53 0.01 1
212 20 20 THR HA H 3.92 0.01 1
213 20 20 THR HB H 4.37 0.01 1
214 20 20 THR HG2 H 1.36 0.01 1
215 20 20 THR CA C 67.3 0.2 1
216 20 20 THR CB C 68.6 0.2 1
217 20 20 THR CG2 C 21.7 0.2 1
218 20 20 THR N N 114.9 0.2 1
219 21 21 ALA H H 7.90 0.01 1
220 21 21 ALA HA H 4.31 0.01 1
221 21 21 ALA HB H 1.62 0.01 1
222 21 21 ALA CA C 55.3 0.2 1
223 21 21 ALA CB C 18.1 0.2 1
224 21 21 ALA N N 125.1 0.2 1
225 22 22 LEU H H 7.98 0.01 1
226 22 22 LEU HA H 4.39 0.01 1
227 22 22 LEU HB2 H 1.60 0.01 2
228 22 22 LEU HB3 H 2.13 0.01 2
229 22 22 LEU HG H 1.47 0.01 1
230 22 22 LEU HD1 H 0.47 0.01 2
231 22 22 LEU HD2 H 0.87 0.01 2
232 22 22 LEU CA C 57.8 0.2 1
233 22 22 LEU CB C 42.2 0.2 1
234 22 22 LEU CG C 26.7 0.2 1
235 22 22 LEU CD1 C 26.8 0.2 2
236 22 22 LEU CD2 C 23.6 0.2 2
237 22 22 LEU N N 120.9 0.2 1
238 23 23 TYR H H 9.05 0.01 1
239 23 23 TYR HA H 4.02 0.01 1
240 23 23 TYR HB2 H 3.16 0.01 2
241 23 23 TYR HB3 H 3.31 0.01 2
242 23 23 TYR HD1 H 6.63 0.01 1
243 23 23 TYR HD2 H 6.63 0.01 1
244 23 23 TYR HE1 H 6.56 0.01 1
245 23 23 TYR HE2 H 6.56 0.01 1
246 23 23 TYR CA C 62.8 0.2 1
247 23 23 TYR CB C 39.0 0.2 1
248 23 23 TYR CD1 C 133.2 0.2 1
249 23 23 TYR CD2 C 133.2 0.2 1
250 23 23 TYR CE1 C 118.3 0.2 1
251 23 23 TYR CE2 C 118.3 0.2 1
252 23 23 TYR N N 120.4 0.2 1
253 24 24 SER H H 8.73 0.01 1
254 24 24 SER HA H 4.24 0.01 1
255 24 24 SER HB2 H 4.14 0.01 1
256 24 24 SER HB3 H 4.14 0.01 1
257 24 24 SER CA C 62.1 0.2 1
258 24 24 SER CB C 63.0 0.2 1
259 24 24 SER N N 115.1 0.2 1
260 25 25 ALA H H 8.02 0.01 1
261 25 25 ALA HA H 4.25 0.01 1
262 25 25 ALA HB H 1.57 0.01 1
263 25 25 ALA CA C 55.2 0.2 1
264 25 25 ALA CB C 19.0 0.2 1
265 25 25 ALA N N 122.9 0.2 1
266 26 26 ALA H H 9.18 0.01 1
267 26 26 ALA HA H 3.88 0.01 1
268 26 26 ALA HB H 1.34 0.01 1
269 26 26 ALA CA C 54.8 0.2 1
270 26 26 ALA CB C 18.3 0.2 1
271 26 26 ALA N N 119.2 0.2 1
272 27 27 SER H H 8.78 0.01 1
273 27 27 SER HA H 4.06 0.01 1
274 27 27 SER HB2 H 3.87 0.01 1
275 27 27 SER HB3 H 3.87 0.01 1
276 27 27 SER CA C 61.8 0.2 1
277 27 27 SER CB C 62.7 0.2 1
278 27 27 SER N N 115.3 0.2 1
279 28 28 LYS H H 7.62 0.01 1
280 28 28 LYS HA H 4.19 0.01 1
281 28 28 LYS HB2 H 2.08 0.01 1
282 28 28 LYS HB3 H 2.08 0.01 1
283 28 28 LYS HG2 H 1.63 0.01 1
284 28 28 LYS HG3 H 1.63 0.01 1
285 28 28 LYS HD2 H 1.78 0.01 1
286 28 28 LYS HD3 H 1.78 0.01 1
287 28 28 LYS HE2 H 3.07 0.01 1
288 28 28 LYS HE3 H 3.07 0.01 1
289 28 28 LYS CA C 59.2 0.2 1
290 28 28 LYS CB C 32.4 0.2 1
291 28 28 LYS CG C 25.4 0.2 1
292 28 28 LYS CD C 29.3 0.2 1
293 28 28 LYS CE C 42.2 0.2 1
294 28 28 LYS N N 121.6 0.2 1
295 29 29 GLN H H 7.25 0.01 1
296 29 29 GLN HA H 4.50 0.01 1
297 29 29 GLN HB2 H 1.69 0.01 2
298 29 29 GLN HB3 H 2.52 0.01 2
299 29 29 GLN HG2 H 2.47 0.01 2
300 29 29 GLN HG3 H 2.60 0.01 2
301 29 29 GLN HE21 H 6.87 0.01 2
302 29 29 GLN HE22 H 7.52 0.01 2
303 29 29 GLN CA C 55.4 0.2 1
304 29 29 GLN CB C 29.7 0.2 1
305 29 29 GLN CG C 34.2 0.2 1
306 29 29 GLN N N 113.7 0.2 1
307 29 29 GLN NE2 N 111.3 0.2 1
308 30 30 ASN H H 7.99 0.01 1
309 30 30 ASN HA H 4.71 0.01 1
310 30 30 ASN HB2 H 2.93 0.01 2
311 30 30 ASN HB3 H 3.34 0.01 2
312 30 30 ASN HD21 H 6.98 0.01 2
313 30 30 ASN HD22 H 7.68 0.01 2
314 30 30 ASN CA C 54.6 0.2 1
315 30 30 ASN CB C 37.1 0.2 1
316 30 30 ASN N N 116.8 0.2 1
317 30 30 ASN ND2 N 112.4 0.2 1
318 31 31 LYS H H 8.40 0.01 1
319 31 31 LYS HA H 5.11 0.01 1
320 31 31 LYS HB2 H 1.29 0.01 2
321 31 31 LYS HB3 H 2.41 0.01 2
322 31 31 LYS HG2 H 1.48 0.01 2
323 31 31 LYS HG3 H 1.60 0.01 2
324 31 31 LYS HD2 H 1.69 0.01 2
325 31 31 LYS HD3 H 1.82 0.01 2
326 31 31 LYS HE2 H 3.17 0.01 1
327 31 31 LYS HE3 H 3.17 0.01 1
328 31 31 LYS CA C 54.8 0.2 1
329 31 31 LYS CB C 34.8 0.2 1
330 31 31 LYS CG C 25.0 0.2 1
331 31 31 LYS CD C 29.0 0.2 1
332 31 31 LYS CE C 42.7 0.2 1
333 31 31 LYS N N 115.9 0.2 1
334 32 32 LEU H H 8.24 0.01 1
335 32 32 LEU HA H 3.79 0.01 1
336 32 32 LEU HB2 H 1.51 0.01 2
337 32 32 LEU HB3 H 1.74 0.01 2
338 32 32 LEU HG H 1.23 0.01 1
339 32 32 LEU HD1 H 0.49 0.01 2
340 32 32 LEU HD2 H 0.54 0.01 2
341 32 32 LEU CA C 59.8 0.2 1
342 32 32 LEU CB C 41.7 0.2 1
343 32 32 LEU CG C 27.0 0.2 1
344 32 32 LEU CD1 C 25.0 0.2 2
345 32 32 LEU CD2 C 23.9 0.2 2
346 32 32 LEU N N 121.0 0.2 1
347 33 33 GLU H H 8.62 0.01 1
348 33 33 GLU HA H 4.11 0.01 1
349 33 33 GLU HB2 H 2.09 0.01 2
350 33 33 GLU HB3 H 2.16 0.01 2
351 33 33 GLU HG2 H 2.38 0.01 2
352 33 33 GLU HG3 H 2.46 0.01 2
353 33 33 GLU CA C 60.4 0.2 1
354 33 33 GLU CB C 28.7 0.2 1
355 33 33 GLU CG C 37.7 0.2 1
356 33 33 GLU N N 115.4 0.2 1
357 34 34 GLN H H 7.98 0.01 1
358 34 34 GLN HA H 4.14 0.01 1
359 34 34 GLN HB2 H 2.04 0.01 2
360 34 34 GLN HB3 H 2.31 0.01 2
361 34 34 GLN HG2 H 2.32 0.01 2
362 34 34 GLN HG3 H 2.55 0.01 2
363 34 34 GLN HE21 H 7.14 0.01 2
364 34 34 GLN HE22 H 7.86 0.01 2
365 34 34 GLN CA C 59.2 0.2 1
366 34 34 GLN CB C 28.3 0.2 1
367 34 34 GLN CG C 33.3 0.2 1
368 34 34 GLN N N 120.5 0.2 1
369 34 34 GLN NE2 N 111.9 0.2 1
370 35 35 VAL H H 8.63 0.01 1
371 35 35 VAL HA H 3.65 0.01 1
372 35 35 VAL HB H 2.02 0.01 1
373 35 35 VAL HG1 H 0.52 0.01 2
374 35 35 VAL HG2 H 0.99 0.01 2
375 35 35 VAL CA C 66.4 0.2 1
376 35 35 VAL CB C 31.3 0.2 1
377 35 35 VAL CG1 C 22.0 0.2 2
378 35 35 VAL CG2 C 24.1 0.2 2
379 35 35 VAL N N 119.1 0.2 1
380 36 36 GLU H H 8.63 0.01 1
381 36 36 GLU HA H 3.89 0.01 1
382 36 36 GLU HB2 H 2.37 0.01 2
383 36 36 GLU HB3 H 2.51 0.01 2
384 36 36 GLU HG2 H 1.92 0.01 2
385 36 36 GLU HG3 H 2.10 0.01 2
386 36 36 GLU CA C 60.6 0.2 1
387 36 36 GLU CB C 30.1 0.2 1
388 36 36 GLU N N 120.1 0.2 1
389 37 37 LYS H H 7.57 0.01 1
390 37 37 LYS HA H 4.05 0.01 1
391 37 37 LYS HB2 H 2.05 0.01 1
392 37 37 LYS CA C 59.8 0.2 1
393 37 37 LYS N N 116.3 0.2 1
394 38 38 GLU H H 8.28 0.01 1
395 38 38 GLU HA H 4.07 0.01 1
396 38 38 GLU HB2 H 2.32 0.01 1
397 38 38 GLU HB3 H 2.32 0.01 1
398 38 38 GLU HG2 H 2.49 0.01 2
399 38 38 GLU HG3 H 3.05 0.01 2
400 38 38 GLU CA C 59.5 0.2 1
401 38 38 GLU CB C 29.8 0.2 1
402 38 38 GLU CG C 37.1 0.2 1
403 38 38 GLU N N 120.7 0.2 1
404 39 39 LEU H H 8.85 0.01 1
405 39 39 LEU HA H 3.78 0.01 1
406 39 39 LEU HB2 H 1.36 0.01 2
407 39 39 LEU HB3 H 1.90 0.01 2
408 39 39 LEU HG H 1.60 0.01 1
409 39 39 LEU HD1 H 0.28 0.01 2
410 39 39 LEU HD2 H 0.44 0.01 2
411 39 39 LEU CA C 57.7 0.2 1
412 39 39 LEU CB C 41.2 0.2 1
413 39 39 LEU CG C 26.5 0.2 1
414 39 39 LEU CD1 C 25.5 0.2 2
415 39 39 LEU CD2 C 21.9 0.2 2
416 39 39 LEU N N 119.3 0.2 1
417 40 40 LEU H H 8.13 0.01 1
418 40 40 LEU HA H 4.14 0.01 1
419 40 40 LEU HB2 H 1.59 0.01 2
420 40 40 LEU HB3 H 1.99 0.01 2
421 40 40 LEU HG H 2.01 0.01 1
422 40 40 LEU HD1 H 0.93 0.01 2
423 40 40 LEU HD2 H 0.99 0.01 2
424 40 40 LEU CA C 58.1 0.2 1
425 40 40 LEU CB C 41.0 0.2 1
426 40 40 LEU CG C 26.6 0.2 1
427 40 40 LEU CD1 C 22.5 0.2 2
428 40 40 LEU CD2 C 25.4 0.2 1
429 40 40 LEU N N 118.3 0.2 1
430 41 41 ARG H H 7.80 0.01 1
431 41 41 ARG HA H 4.34 0.01 1
432 41 41 ARG HB2 H 2.22 0.01 2
433 41 41 ARG HB3 H 2.60 0.01 2
434 41 41 ARG HG2 H 1.80 0.01 2
435 41 41 ARG HG3 H 2.15 0.01 2
436 41 41 ARG HD2 H 3.26 0.01 2
437 41 41 ARG HD3 H 3.63 0.01 2
438 41 41 ARG CA C 58.6 0.2 1
439 41 41 ARG CB C 29.0 0.2 1
440 41 41 ARG CG C 27.0 0.2 1
441 41 41 ARG CD C 43.5 0.2 1
442 41 41 ARG N N 121.2 0.2 1
443 42 42 VAL H H 8.74 0.01 1
444 42 42 VAL HA H 3.64 0.01 1
445 42 42 VAL HB H 2.29 0.01 1
446 42 42 VAL HG1 H 0.78 0.01 2
447 42 42 VAL HG2 H 0.81 0.01 2
448 42 42 VAL CA C 67.3 0.2 1
449 42 42 VAL CB C 30.9 0.2 1
450 42 42 VAL CG1 C 24.4 0.2 2
451 42 42 VAL CG2 C 21.5 0.2 2
452 42 42 VAL N N 121.4 0.2 1
453 43 43 GLY H H 8.47 0.01 1
454 43 43 GLY HA2 H 3.64 0.01 2
455 43 43 GLY HA3 H 3.86 0.01 2
456 43 43 GLY CA C 47.3 0.2 1
457 43 43 GLY N N 105.3 0.2 1
458 44 44 GLN H H 7.62 0.01 1
459 44 44 GLN HA H 4.13 0.01 1
460 44 44 GLN HB2 H 2.30 0.01 2
461 44 44 GLN HB3 H 2.46 0.01 2
462 44 44 GLN HG2 H 2.53 0.01 2
463 44 44 GLN HG3 H 2.66 0.01 2
464 44 44 GLN HE21 H 6.95 0.01 2
465 44 44 GLN HE22 H 7.64 0.01 2
466 44 44 GLN CA C 58.5 0.2 1
467 44 44 GLN CB C 28.9 0.2 1
468 44 44 GLN CG C 33.7 0.2 1
469 44 44 GLN N N 119.3 0.2 1
470 44 44 GLN NE2 N 112.5 0.2 1
471 45 45 ILE H H 8.42 0.01 1
472 45 45 ILE HA H 3.82 0.01 1
473 45 45 ILE HB H 2.09 0.01 1
474 45 45 ILE HG12 H 1.17 0.01 2
475 45 45 ILE HG13 H 1.89 0.01 2
476 45 45 ILE HG2 H 1.03 0.01 1
477 45 45 ILE HD1 H 0.99 0.01 1
478 45 45 ILE CA C 65.6 0.2 1
479 45 45 ILE CB C 38.5 0.2 1
480 45 45 ILE CG1 C 29.2 0.2 1
481 45 45 ILE CG2 C 17.7 0.2 1
482 45 45 ILE CD1 C 14.9 0.2 1
483 45 45 ILE N N 123.1 0.2 1
484 46 46 LEU H H 8.09 0.01 1
485 46 46 LEU HA H 3.99 0.01 1
486 46 46 LEU HB2 H 1.60 0.01 2
487 46 46 LEU HB3 H 1.86 0.01 2
488 46 46 LEU HG H 2.02 0.01 1
489 46 46 LEU HD1 H 0.80 0.01 2
490 46 46 LEU HD2 H 0.86 0.01 2
491 46 46 LEU CA C 56.7 0.2 1
492 46 46 LEU CB C 41.4 0.2 1
493 46 46 LEU CG C 26.8 0.2 1
494 46 46 LEU CD1 C 22.7 0.2 2
495 46 46 LEU CD2 C 25.7 0.2 2
496 46 46 LEU N N 115.2 0.2 1
497 47 47 LYS H H 7.21 0.01 1
498 47 47 LYS HA H 4.29 0.01 1
499 47 47 LYS HB2 H 1.93 0.01 2
500 47 47 LYS HB3 H 2.03 0.01 2
501 47 47 LYS HG2 H 1.60 0.01 2
502 47 47 LYS HG3 H 1.73 0.01 2
503 47 47 LYS HD2 H 1.76 0.01 1
504 47 47 LYS HD3 H 1.76 0.01 1
505 47 47 LYS HE2 H 3.05 0.01 1
506 47 47 LYS HE3 H 3.05 0.01 1
507 47 47 LYS CA C 56.3 0.2 1
508 47 47 LYS CB C 33.3 0.2 1
509 47 47 LYS CG C 25.3 0.2 1
510 47 47 LYS CD C 29.2 0.2 1
511 47 47 LYS CE C 42.2 0.2 1
512 47 47 LYS N N 114.4 0.2 1
513 48 48 GLU H H 7.78 0.01 1
514 48 48 GLU HA H 4.58 0.01 1
515 48 48 GLU HB2 H 2.29 0.01 2
516 48 48 GLU HB3 H 2.37 0.01 2
517 48 48 GLU HG2 H 2.46 0.01 2
518 48 48 GLU HG3 H 2.71 0.01 2
519 48 48 GLU CA C 55.1 0.2 1
520 48 48 GLU CB C 29.3 0.2 1
521 48 48 GLU CG C 36.5 0.2 1
522 48 48 GLU N N 125.0 0.2 1
523 49 49 PRO HA H 4.28 0.01 1
524 49 49 PRO HB2 H 2.09 0.01 2
525 49 49 PRO HB3 H 2.48 0.01 2
526 49 49 PRO HG2 H 2.14 0.01 2
527 49 49 PRO HG3 H 2.29 0.01 2
528 49 49 PRO HD2 H 4.00 0.01 2
529 49 49 PRO HD3 H 4.18 0.01 2
530 49 49 PRO CA C 66.4 0.2 1
531 49 49 PRO CB C 32.4 0.2 1
532 49 49 PRO CG C 27.6 0.2 1
533 49 49 PRO CD C 50.9 0.2 1
534 50 50 LYS H H 8.96 0.01 1
535 50 50 LYS HA H 4.23 0.01 1
536 50 50 LYS HB2 H 1.94 0.01 2
537 50 50 LYS HB3 H 2.06 0.01 2
538 50 50 LYS HG2 H 1.53 0.01 2
539 50 50 LYS HG3 H 1.60 0.01 2
540 50 50 LYS HD2 H 1.79 0.01 1
541 50 50 LYS HD3 H 1.79 0.01 1
542 50 50 LYS HE2 H 3.08 0.01 1
543 50 50 LYS HE3 H 3.08 0.01 1
544 50 50 LYS CA C 59.4 0.2 1
545 50 50 LYS CB C 32.0 0.2 1
546 50 50 LYS CG C 25.3 0.2 1
547 50 50 LYS CD C 29.3 0.2 1
548 50 50 LYS CE C 42.3 0.2 1
549 50 50 LYS N N 117.0 0.2 1
550 51 51 MET H H 7.78 0.01 1
551 51 51 MET HA H 4.59 0.01 1
552 51 51 MET HB2 H 2.05 0.01 2
553 51 51 MET HB3 H 2.57 0.01 2
554 51 51 MET HG2 H 2.69 0.01 2
555 51 51 MET HG3 H 2.77 0.01 2
556 51 51 MET HE H 2.12 0.01 1
557 51 51 MET CA C 56.4 0.2 1
558 51 51 MET CB C 32.1 0.2 1
559 51 51 MET CG C 32.6 0.2 1
560 51 51 MET CE C 17.4 0.2 1
561 51 51 MET N N 119.3 0.2 1
562 52 52 ALA H H 8.76 0.01 1
563 52 52 ALA HA H 4.00 0.01 1
564 52 52 ALA HB H 1.54 0.01 1
565 52 52 ALA CA C 55.8 0.2 1
566 52 52 ALA CB C 18.2 0.2 1
567 52 52 ALA N N 123.7 0.2 1
568 53 53 ALA H H 7.93 0.01 1
569 53 53 ALA HA H 4.23 0.01 1
570 53 53 ALA HB H 1.58 0.01 1
571 53 53 ALA CA C 54.5 0.2 1
572 53 53 ALA CB C 18.5 0.2 1
573 53 53 ALA N N 117.0 0.2 1
574 54 54 SER H H 7.57 0.01 1
575 54 54 SER HA H 4.62 0.01 1
576 54 54 SER HB2 H 4.01 0.01 1
577 54 54 SER HB3 H 4.01 0.01 1
578 54 54 SER CA C 59.8 0.2 1
579 54 54 SER CB C 64.0 0.2 1
580 54 54 SER N N 111.4 0.2 1
581 55 55 LEU H H 8.23 0.01 1
582 55 55 LEU HA H 4.17 0.01 1
583 55 55 LEU HB2 H 1.44 0.01 2
584 55 55 LEU HB3 H 1.84 0.01 2
585 55 55 LEU HG H 1.99 0.01 1
586 55 55 LEU HD1 H 0.90 0.01 2
587 55 55 LEU HD2 H 0.92 0.01 2
588 55 55 LEU CA C 57.2 0.2 1
589 55 55 LEU CB C 42.4 0.2 1
590 55 55 LEU CG C 26.9 0.2 1
591 55 55 LEU CD1 C 23.2 0.2 2
592 55 55 LEU CD2 C 26.3 0.2 2
593 55 55 LEU N N 117.8 0.2 1
594 56 56 LEU H H 7.71 0.01 1
595 56 56 LEU HA H 4.47 0.01 1
596 56 56 LEU HB2 H 1.77 0.01 2
597 56 56 LEU HB3 H 1.95 0.01 2
598 56 56 LEU HG H 1.68 0.01 1
599 56 56 LEU HD1 H 0.85 0.01 2
600 56 56 LEU HD2 H 1.02 0.01 2
601 56 56 LEU CA C 54.1 0.2 1
602 56 56 LEU CB C 41.1 0.2 1
603 56 56 LEU CG C 27.0 0.2 1
604 56 56 LEU CD1 C 22.9 0.2 2
605 56 56 LEU CD2 C 25.6 0.2 1
606 56 56 LEU N N 114.9 0.2 1
607 57 57 ASN H H 7.07 0.01 1
608 57 57 ASN HA H 4.97 0.01 1
609 57 57 ASN HB2 H 2.95 0.01 2
610 57 57 ASN HB3 H 3.10 0.01 2
611 57 57 ASN HD21 H 7.28 0.01 2
612 57 57 ASN HD22 H 7.73 0.01 2
613 57 57 ASN CA C 50.9 0.2 1
614 57 57 ASN CB C 39.9 0.2 1
615 57 57 ASN N N 119.6 0.2 1
616 57 57 ASN ND2 N 112.6 0.2 1
617 58 58 PRO HA H 4.45 0.01 1
618 58 58 PRO HB2 H 1.52 0.01 2
619 58 58 PRO HB3 H 2.22 0.01 2
620 58 58 PRO HG2 H 1.43 0.01 2
621 58 58 PRO HG3 H 1.94 0.01 2
622 58 58 PRO HD2 H 3.84 0.01 2
623 58 58 PRO HD3 H 4.05 0.01 2
624 58 58 PRO CA C 64.1 0.2 1
625 58 58 PRO CB C 32.1 0.2 1
626 58 58 PRO CG C 26.4 0.2 1
627 58 58 PRO CD C 51.2 0.2 1
628 59 59 TYR H H 8.26 0.01 1
629 59 59 TYR HA H 4.66 0.01 1
630 59 59 TYR HB2 H 2.96 0.01 2
631 59 59 TYR HB3 H 3.42 0.01 2
632 59 59 TYR HD1 H 7.22 0.01 1
633 59 59 TYR HD2 H 7.22 0.01 1
634 59 59 TYR HE1 H 6.95 0.01 1
635 59 59 TYR HE2 H 6.95 0.01 1
636 59 59 TYR CA C 57.7 0.2 1
637 59 59 TYR CB C 37.7 0.2 1
638 59 59 TYR CD1 C 133.0 0.2 1
639 59 59 TYR CD2 C 133.0 0.2 1
640 59 59 TYR CE1 C 118.4 0.2 1
641 59 59 TYR CE2 C 118.4 0.2 1
642 59 59 TYR N N 117.0 0.2 1
643 60 60 VAL H H 7.08 0.01 1
644 60 60 VAL HA H 4.17 0.01 1
645 60 60 VAL HB H 2.07 0.01 1
646 60 60 VAL HG1 H 1.15 0.01 2
647 60 60 VAL HG2 H 1.17 0.01 2
648 60 60 VAL CA C 62.2 0.2 1
649 60 60 VAL CB C 32.7 0.2 1
650 60 60 VAL CG1 C 21.1 0.2 2
651 60 60 VAL CG2 C 22.3 0.2 2
652 60 60 VAL N N 121.8 0.2 1
653 61 61 LYS H H 8.63 0.01 1
654 61 61 LYS HA H 4.30 0.01 1
655 61 61 LYS HB2 H 1.91 0.01 2
656 61 61 LYS HB3 H 2.17 0.01 2
657 61 61 LYS HG2 H 1.72 0.01 2
658 61 61 LYS HG3 H 1.78 0.01 2
659 61 61 LYS HD2 H 1.86 0.01 1
660 61 61 LYS HD3 H 1.86 0.01 1
661 61 61 LYS HE2 H 3.17 0.01 1
662 61 61 LYS HE3 H 3.17 0.01 1
663 61 61 LYS CA C 57.1 0.2 1
664 61 61 LYS CB C 33.3 0.2 1
665 61 61 LYS CG C 25.5 0.2 1
666 61 61 LYS CD C 29.3 0.2 1
667 61 61 LYS CE C 42.2 0.2 1
668 61 61 LYS N N 127.1 0.2 1
669 62 62 ARG H H 8.88 0.01 1
670 62 62 ARG HA H 3.99 0.01 1
671 62 62 ARG HB2 H 2.01 0.01 2
672 62 62 ARG HB3 H 2.16 0.01 2
673 62 62 ARG HG2 H 1.78 0.01 2
674 62 62 ARG HG3 H 1.83 0.01 2
675 62 62 ARG HD2 H 3.36 0.01 1
676 62 62 ARG HD3 H 3.36 0.01 1
677 62 62 ARG CA C 60.2 0.2 1
678 62 62 ARG CB C 30.1 0.2 1
679 62 62 ARG CG C 27.1 0.2 1
680 62 62 ARG CD C 43.5 0.2 1
681 62 62 ARG N N 124.2 0.2 1
682 63 63 SER H H 8.65 0.01 1
683 63 63 SER HA H 4.17 0.01 1
684 63 63 SER HB2 H 3.99 0.01 1
685 63 63 SER HB3 H 3.99 0.01 1
686 63 63 SER CA C 61.1 0.2 1
687 63 63 SER CB C 61.8 0.2 1
688 63 63 SER N N 112.0 0.2 1
689 64 64 VAL H H 7.15 0.01 1
690 64 64 VAL HA H 3.84 0.01 1
691 64 64 VAL HB H 2.34 0.01 1
692 64 64 VAL HG1 H 1.01 0.01 2
693 64 64 VAL HG2 H 1.14 0.01 2
694 64 64 VAL CA C 65.4 0.2 1
695 64 64 VAL CB C 31.8 0.2 1
696 64 64 VAL CG1 C 20.9 0.2 2
697 64 64 VAL CG2 C 22.6 0.2 2
698 64 64 VAL N N 124.1 0.2 1
699 65 65 LYS H H 7.73 0.01 1
700 65 65 LYS HA H 3.99 0.01 1
701 65 65 LYS HB2 H 1.78 0.01 2
702 65 65 LYS HB3 H 2.12 0.01 2
703 65 65 LYS HG2 H 1.40 0.01 2
704 65 65 LYS HG3 H 1.64 0.01 2
705 65 65 LYS HD2 H 1.86 0.01 1
706 65 65 LYS HD3 H 1.86 0.01 1
707 65 65 LYS HE2 H 3.11 0.01 2
708 65 65 LYS HE3 H 3.19 0.01 2
709 65 65 LYS CA C 60.2 0.2 1
710 65 65 LYS CB C 32.5 0.2 1
711 65 65 LYS CG C 26.3 0.2 1
712 65 65 LYS CD C 29.3 0.2 1
713 65 65 LYS CE C 42.6 0.2 1
714 65 65 LYS N N 121.8 0.2 1
715 66 66 VAL H H 8.62 0.01 1
716 66 66 VAL HA H 3.65 0.01 1
717 66 66 VAL HB H 2.13 0.01 1
718 66 66 VAL HG1 H 1.03 0.01 2
719 66 66 VAL HG2 H 1.09 0.01 2
720 66 66 VAL CA C 66.5 0.2 1
721 66 66 VAL CB C 31.8 0.2 1
722 66 66 VAL CG1 C 21.2 0.2 2
723 66 66 VAL CG2 C 22.5 0.2 2
724 66 66 VAL N N 117.6 0.2 1
725 67 67 LYS H H 7.68 0.01 1
726 67 67 LYS HA H 4.25 0.01 1
727 67 67 LYS HB2 H 2.01 0.01 2
728 67 67 LYS HB3 H 2.09 0.01 2
729 67 67 LYS HG2 H 1.56 0.01 1
730 67 67 LYS HG3 H 1.56 0.01 1
731 67 67 LYS HD2 H 1.73 0.01 2
732 67 67 LYS HD3 H 1.84 0.01 2
733 67 67 LYS HE2 H 3.09 0.01 1
734 67 67 LYS HE3 H 3.09 0.01 1
735 67 67 LYS CA C 59.1 0.2 1
736 67 67 LYS CB C 32.1 0.2 1
737 67 67 LYS CG C 25.1 0.2 1
738 67 67 LYS CD C 28.7 0.2 1
739 67 67 LYS CE C 42.3 0.2 1
740 67 67 LYS N N 121.9 0.2 1
741 68 68 SER H H 8.29 0.01 1
742 68 68 SER HA H 4.39 0.01 1
743 68 68 SER HB2 H 3.98 0.01 2
744 68 68 SER HB3 H 4.12 0.01 2
745 68 68 SER CA C 61.9 0.2 1
746 68 68 SER CB C 63.1 0.2 1
747 68 68 SER N N 115.4 0.2 1
748 69 69 LEU H H 8.46 0.01 1
749 69 69 LEU HA H 4.22 0.01 1
750 69 69 LEU HB2 H 1.67 0.01 2
751 69 69 LEU HB3 H 1.95 0.01 2
752 69 69 LEU HG H 1.88 0.01 1
753 69 69 LEU HD1 H 0.91 0.01 2
754 69 69 LEU HD2 H 0.92 0.01 2
755 69 69 LEU CA C 58.0 0.2 1
756 69 69 LEU CB C 41.7 0.2 1
757 69 69 LEU CG C 26.6 0.2 1
758 69 69 LEU CD1 C 24.3 0.2 2
759 69 69 LEU CD2 C 25.8 0.2 2
760 69 69 LEU N N 122.4 0.2 1
761 70 70 SER H H 8.43 0.01 1
762 70 70 SER HA H 4.38 0.01 1
763 70 70 SER HB2 H 4.11 0.01 1
764 70 70 SER HB3 H 4.11 0.01 1
765 70 70 SER CA C 61.5 0.2 1
766 70 70 SER CB C 62.8 0.2 1
767 70 70 SER N N 117.1 0.2 1
768 71 71 ASP H H 8.45 0.01 1
769 71 71 ASP HA H 4.52 0.01 1
770 71 71 ASP HB2 H 2.75 0.01 2
771 71 71 ASP HB3 H 2.93 0.01 2
772 71 71 ASP CA C 57.3 0.2 1
773 71 71 ASP CB C 40.3 0.2 1
774 71 71 ASP N N 122.6 0.2 1
775 72 72 MET H H 8.01 0.01 1
776 72 72 MET HA H 4.23 0.01 1
777 72 72 MET HB2 H 2.39 0.01 2
778 72 72 MET HB3 H 2.44 0.01 2
779 72 72 MET HG2 H 2.52 0.01 2
780 72 72 MET HG3 H 2.78 0.01 2
781 72 72 MET HE H 2.10 0.01 1
782 72 72 MET CA C 59.2 0.2 1
783 72 72 MET CB C 32.8 0.2 1
784 72 72 MET CG C 31.6 0.2 1
785 72 72 MET CE C 17.1 0.2 1
786 72 72 MET N N 120.5 0.2 1
787 73 73 THR H H 8.70 0.01 1
788 73 73 THR HA H 3.85 0.01 1
789 73 73 THR HB H 4.46 0.01 1
790 73 73 THR HG2 H 1.42 0.01 1
791 73 73 THR CA C 66.0 0.2 1
792 73 73 THR CB C 68.5 0.2 1
793 73 73 THR CG2 C 22.2 0.2 1
794 73 73 THR N N 112.6 0.2 1
795 74 74 ALA H H 7.81 0.01 1
796 74 74 ALA HA H 4.29 0.01 1
797 74 74 ALA HB H 1.59 0.01 1
798 74 74 ALA CA C 54.8 0.2 1
799 74 74 ALA CB C 18.5 0.2 1
800 74 74 ALA N N 124.2 0.2 1
801 75 75 LYS H H 7.94 0.01 1
802 75 75 LYS HA H 4.11 0.01 1
803 75 75 LYS HB2 H 1.95 0.01 2
804 75 75 LYS HB3 H 1.98 0.01 2
805 75 75 LYS HG2 H 1.47 0.01 2
806 75 75 LYS HG3 H 1.53 0.01 2
807 75 75 LYS HD2 H 1.73 0.01 1
808 75 75 LYS HD3 H 1.73 0.01 1
809 75 75 LYS HE2 H 3.04 0.01 1
810 75 75 LYS HE3 H 3.04 0.01 1
811 75 75 LYS CA C 58.7 0.2 1
812 75 75 LYS CB C 32.8 0.2 1
813 75 75 LYS CG C 24.9 0.2 1
814 75 75 LYS CD C 29.3 0.2 1
815 75 75 LYS CE C 42.2 0.2 1
816 75 75 LYS N N 118.9 0.2 1
817 76 76 GLU H H 7.88 0.01 1
818 76 76 GLU HA H 3.86 0.01 1
819 76 76 GLU HB2 H 0.62 0.01 2
820 76 76 GLU HB3 H 1.33 0.01 2
821 76 76 GLU HG2 H 1.93 0.01 2
822 76 76 GLU HG3 H 2.18 0.01 2
823 76 76 GLU CA C 55.8 0.2 1
824 76 76 GLU CB C 28.6 0.2 1
825 76 76 GLU CG C 36.0 0.2 1
826 76 76 GLU N N 115.7 0.2 1
827 77 77 LYS H H 7.64 0.01 1
828 77 77 LYS HA H 3.98 0.01 1
829 77 77 LYS HB2 H 1.88 0.01 2
830 77 77 LYS HB3 H 1.98 0.01 2
831 77 77 LYS HG2 H 1.36 0.01 1
832 77 77 LYS HG3 H 1.36 0.01 1
833 77 77 LYS HD2 H 1.70 0.01 2
834 77 77 LYS HD3 H 1.78 0.01 2
835 77 77 LYS HE2 H 3.07 0.01 1
836 77 77 LYS HE3 H 3.07 0.01 1
837 77 77 LYS CA C 56.4 0.2 1
838 77 77 LYS CB C 29.2 0.2 1
839 77 77 LYS CG C 24.7 0.2 1
840 77 77 LYS CD C 29.2 0.2 1
841 77 77 LYS CE C 42.3 0.2 1
842 77 77 LYS N N 115.3 0.2 1
843 78 78 PHE H H 7.43 0.01 1
844 78 78 PHE HA H 4.90 0.01 1
845 78 78 PHE HB2 H 2.86 0.01 2
846 78 78 PHE HB3 H 3.22 0.01 2
847 78 78 PHE HD1 H 7.18 0.01 1
848 78 78 PHE HD2 H 7.18 0.01 1
849 78 78 PHE HE1 H 7.26 0.01 1
850 78 78 PHE HE2 H 7.26 0.01 1
851 78 78 PHE HZ H 6.99 0.01 1
852 78 78 PHE CA C 55.7 0.2 1
853 78 78 PHE CB C 39.8 0.2 1
854 78 78 PHE CD1 C 129.9 0.2 1
855 78 78 PHE CD2 C 129.9 0.2 1
856 78 78 PHE CE1 C 131.7 0.2 1
857 78 78 PHE CE2 C 131.7 0.2 1
858 78 78 PHE CZ C 129.7 0.2 1
859 78 78 PHE N N 116.8 0.2 1
860 79 79 SER H H 10.16 0.01 1
861 79 79 SER HA H 4.22 0.01 1
862 79 79 SER HB2 H 4.67 0.01 1
863 79 79 SER HB3 H 4.67 0.01 1
864 79 79 SER CA C 57.8 0.2 1
865 79 79 SER CB C 60.1 0.2 1
866 79 79 SER N N 119.4 0.2 1
867 80 80 PRO HA H 4.42 0.01 1
868 80 80 PRO HB2 H 2.03 0.01 2
869 80 80 PRO HB3 H 2.46 0.01 2
870 80 80 PRO HG2 H 2.25 0.01 1
871 80 80 PRO HG3 H 2.25 0.01 1
872 80 80 PRO HD2 H 4.01 0.01 2
873 80 80 PRO HD3 H 4.04 0.01 2
874 80 80 PRO CA C 65.3 0.2 1
875 80 80 PRO CB C 31.9 0.2 1
876 80 80 PRO CG C 27.9 0.2 1
877 80 80 PRO CD C 50.9 0.2 1
878 81 81 LEU H H 5.72 0.01 1
879 81 81 LEU HA H 4.03 0.01 1
880 81 81 LEU HB2 H 1.27 0.01 2
881 81 81 LEU HB3 H 1.75 0.01 2
882 81 81 LEU HG H 1.81 0.01 1
883 81 81 LEU HD1 H 0.80 0.01 2
884 81 81 LEU HD2 H 0.86 0.01 2
885 81 81 LEU CA C 58.0 0.2 1
886 81 81 LEU CB C 42.2 0.2 1
887 81 81 LEU CG C 27.1 0.2 1
888 81 81 LEU CD1 C 25.8 0.2 2
889 81 81 LEU CD2 C 24.0 0.2 2
890 82 82 THR H H 7.29 0.01 1
891 82 82 THR HA H 3.61 0.01 1
892 82 82 THR HB H 3.84 0.01 1
893 82 82 THR HG2 H 0.51 0.01 1
894 82 82 THR CA C 66.3 0.2 1
895 82 82 THR CB C 67.6 0.2 1
896 82 82 THR CG2 C 23.0 0.2 1
897 82 82 THR N N 118.1 0.2 1
898 83 83 SER H H 8.70 0.01 1
899 83 83 SER HA H 3.95 0.01 1
900 83 83 SER HB2 H 3.87 0.01 1
901 83 83 SER HB3 H 3.87 0.01 1
902 83 83 SER CA C 62.6 0.2 1
903 83 83 SER CB C 62.7 0.2 1
904 83 83 SER N N 116.8 0.2 1
905 84 84 ASN H H 8.78 0.01 1
906 84 84 ASN HA H 4.51 0.01 1
907 84 84 ASN HB2 H 2.78 0.01 2
908 84 84 ASN HB3 H 3.03 0.01 2
909 84 84 ASN HD21 H 6.97 0.01 2
910 84 84 ASN HD22 H 7.68 0.01 2
911 84 84 ASN CA C 56.0 0.2 1
912 84 84 ASN CB C 37.9 0.2 1
913 84 84 ASN N N 119.1 0.2 1
914 84 84 ASN ND2 N 112.6 0.2 1
915 85 85 LEU H H 7.23 0.01 1
916 85 85 LEU HA H 4.21 0.01 1
917 85 85 LEU HB2 H 1.69 0.01 2
918 85 85 LEU HB3 H 2.10 0.01 2
919 85 85 LEU HG H 1.56 0.01 1
920 85 85 LEU HD1 H 0.88 0.01 2
921 85 85 LEU HD2 H 0.92 0.01 2
922 85 85 LEU CA C 58.1 0.2 1
923 85 85 LEU CB C 40.7 0.2 1
924 85 85 LEU CG C 27.2 0.2 1
925 85 85 LEU CD1 C 25.9 0.2 2
926 85 85 LEU CD2 C 23.5 0.2 2
927 85 85 LEU N N 121.5 0.2 1
928 86 86 ILE H H 8.08 0.01 1
929 86 86 ILE HA H 3.63 0.01 1
930 86 86 ILE HB H 1.99 0.01 1
931 86 86 ILE HG12 H 1.37 0.01 2
932 86 86 ILE HG13 H 1.49 0.01 2
933 86 86 ILE HG2 H 0.91 0.01 1
934 86 86 ILE HD1 H 0.69 0.01 1
935 86 86 ILE CA C 64.7 0.2 1
936 86 86 ILE CB C 36.7 0.2 1
937 86 86 ILE CG1 C 27.5 0.2 1
938 86 86 ILE CG2 C 18.1 0.2 1
939 86 86 ILE CD1 C 12.4 0.2 1
940 86 86 ILE N N 116.9 0.2 1
941 87 87 ASN H H 8.05 0.01 1
942 87 87 ASN HA H 4.43 0.01 1
943 87 87 ASN HB2 H 2.83 0.01 2
944 87 87 ASN HB3 H 2.89 0.01 2
945 87 87 ASN HD21 H 6.85 0.01 2
946 87 87 ASN HD22 H 7.58 0.01 2
947 87 87 ASN CA C 57.0 0.2 1
948 87 87 ASN CB C 38.7 0.2 1
949 87 87 ASN N N 117.9 0.2 1
950 87 87 ASN ND2 N 111.8 0.2 1
951 88 88 LEU H H 8.14 0.01 1
952 88 88 LEU HA H 4.17 0.01 1
953 88 88 LEU HB2 H 1.81 0.01 2
954 88 88 LEU HB3 H 1.90 0.01 2
955 88 88 LEU HG H 1.63 0.01 1
956 88 88 LEU HD1 H 0.81 0.01 2
957 88 88 LEU HD2 H 0.92 0.01 2
958 88 88 LEU CA C 58.3 0.2 1
959 88 88 LEU CB C 42.1 0.2 1
960 88 88 LEU CG C 27.0 0.2 1
961 88 88 LEU CD1 C 25.0 0.2 2
962 88 88 LEU N N 122.7 0.2 1
963 89 89 LEU H H 8.41 0.01 1
964 89 89 LEU HA H 3.82 0.01 1
965 89 89 LEU HB2 H 0.87 0.01 2
966 89 89 LEU HB3 H 1.99 0.01 2
967 89 89 LEU HG H 1.70 0.01 1
968 89 89 LEU HD1 H 0.38 0.01 2
969 89 89 LEU HD2 H 0.79 0.01 2
970 89 89 LEU CA C 58.3 0.2 1
971 89 89 LEU CB C 41.4 0.2 1
972 89 89 LEU CG C 26.9 0.2 1
973 89 89 LEU CD1 C 22.3 0.2 2
974 89 89 LEU CD2 C 27.2 0.2 2
975 89 89 LEU N N 119.0 0.2 1
976 90 90 ALA H H 8.34 0.01 1
977 90 90 ALA HA H 4.16 0.01 1
978 90 90 ALA HB H 1.57 0.01 1
979 90 90 ALA CA C 55.4 0.2 1
980 90 90 ALA CB C 18.7 0.2 1
981 90 90 ALA N N 120.9 0.2 1
982 91 91 GLU H H 8.79 0.01 1
983 91 91 GLU HA H 4.07 0.01 1
984 91 91 GLU HB2 H 2.15 0.01 2
985 91 91 GLU HB3 H 2.22 0.01 2
986 91 91 GLU HG2 H 2.37 0.01 2
987 91 91 GLU HG3 H 2.44 0.01 2
988 91 91 GLU CA C 59.2 0.2 1
989 91 91 GLU CB C 29.7 0.2 1
990 91 91 GLU CG C 36.2 0.2 1
991 91 91 GLU N N 119.7 0.2 1
992 92 92 ASN H H 7.80 0.01 1
993 92 92 ASN HA H 4.92 0.01 1
994 92 92 ASN HB2 H 2.74 0.01 2
995 92 92 ASN HB3 H 3.07 0.01 2
996 92 92 ASN HD21 H 7.21 0.01 2
997 92 92 ASN HD22 H 7.66 0.01 2
998 92 92 ASN CA C 53.3 0.2 1
999 92 92 ASN CB C 39.7 0.2 1
1000 92 92 ASN N N 113.6 0.2 1
1001 92 92 ASN ND2 N 113.0 0.2 1
1002 93 93 GLY H H 7.87 0.01 1
1003 93 93 GLY HA2 H 4.11 0.01 2
1004 93 93 GLY HA3 H 4.29 0.01 2
1005 93 93 GLY CA C 47.6 0.2 1
1006 93 93 GLY N N 108.8 0.2 1
1007 94 94 ARG H H 8.67 0.01 1
1008 94 94 ARG HA H 4.80 0.01 1
1009 94 94 ARG HB2 H 1.47 0.01 2
1010 94 94 ARG HB3 H 2.42 0.01 2
1011 94 94 ARG HG2 H 1.58 0.01 2
1012 94 94 ARG HG3 H 1.71 0.01 2
1013 94 94 ARG HD2 H 3.19 0.01 2
1014 94 94 ARG HD3 H 3.23 0.01 2
1015 94 94 ARG CA C 54.7 0.2 1
1016 94 94 ARG CB C 31.5 0.2 1
1017 94 94 ARG CG C 27.3 0.2 1
1018 94 94 ARG CD C 43.2 0.2 1
1019 94 94 ARG N N 117.1 0.2 1
1020 95 95 LEU H H 8.57 0.01 1
1021 95 95 LEU HA H 3.97 0.01 1
1022 95 95 LEU HB2 H 1.56 0.01 2
1023 95 95 LEU HB3 H 1.85 0.01 2
1024 95 95 LEU HG H 1.60 0.01 1
1025 95 95 LEU HD1 H 0.94 0.01 2
1026 95 95 LEU HD2 H 1.04 0.01 2
1027 95 95 LEU CA C 58.3 0.2 1
1028 95 95 LEU CB C 41.9 0.2 1
1029 95 95 LEU CG C 27.4 0.2 1
1030 95 95 LEU CD1 C 24.6 0.2 2
1031 95 95 LEU CD2 C 25.4 0.2 2
1032 95 95 LEU N N 122.9 0.2 1
1033 96 96 THR H H 5.70 0.01 1
1034 96 96 THR HA H 4.10 0.01 1
1035 96 96 THR HB H 4.34 0.01 1
1036 96 96 THR HG2 H 1.35 0.01 1
1037 96 96 THR CA C 64.6 0.2 1
1038 96 96 THR CB C 68.6 0.2 1
1039 96 96 THR CG2 C 22.3 0.2 1
1040 97 97 ASN H H 7.92 0.01 1
1041 97 97 ASN HA H 5.15 0.01 1
1042 97 97 ASN HB2 H 2.83 0.01 2
1043 97 97 ASN HB3 H 3.16 0.01 2
1044 97 97 ASN HD21 H 7.01 0.01 2
1045 97 97 ASN HD22 H 7.81 0.01 2
1046 97 97 ASN CA C 53.3 0.2 1
1047 97 97 ASN CB C 38.6 0.2 1
1048 97 97 ASN N N 117.6 0.2 1
1049 97 97 ASN ND2 N 110.7 0.2 1
1050 98 98 THR H H 7.79 0.01 1
1051 98 98 THR HA H 3.75 0.01 1
1052 98 98 THR HB H 4.09 0.01 1
1053 98 98 THR HG2 H 1.02 0.01 1
1054 98 98 THR CA C 69.8 0.2 1
1055 98 98 THR CB C 65.7 0.2 1
1056 98 98 THR CG2 C 22.1 0.2 1
1057 98 98 THR N N 116.6 0.2 1
1058 99 99 PRO HA H 4.23 0.01 1
1059 99 99 PRO HB2 H 1.97 0.01 2
1060 99 99 PRO HB3 H 2.45 0.01 2
1061 99 99 PRO HG2 H 2.27 0.01 1
1062 99 99 PRO HG3 H 2.27 0.01 1
1063 99 99 PRO HD2 H 3.60 0.01 2
1064 99 99 PRO HD3 H 3.79 0.01 2
1065 99 99 PRO CA C 66.9 0.2 1
1066 99 99 PRO CB C 30.7 0.2 1
1067 99 99 PRO CG C 28.7 0.2 1
1068 99 99 PRO CD C 50.8 0.2 1
1069 100 100 ALA H H 7.62 0.01 1
1070 100 100 ALA HA H 4.38 0.01 1
1071 100 100 ALA HB H 1.61 0.01 1
1072 100 100 ALA CA C 54.8 0.2 1
1073 100 100 ALA CB C 18.5 0.2 1
1074 100 100 ALA N N 119.9 0.2 1
1075 101 101 VAL H H 7.90 0.01 1
1076 101 101 VAL HA H 3.69 0.01 1
1077 101 101 VAL HB H 2.51 0.01 1
1078 101 101 VAL HG1 H 1.02 0.01 2
1079 101 101 VAL HG2 H 1.24 0.01 2
1080 101 101 VAL CA C 66.7 0.2 1
1081 101 101 VAL CB C 31.6 0.2 1
1082 101 101 VAL CG1 C 21.2 0.2 2
1083 101 101 VAL CG2 C 22.7 0.2 2
1084 101 101 VAL N N 120.7 0.2 1
1085 102 102 ILE H H 8.18 0.01 1
1086 102 102 ILE HA H 3.57 0.01 1
1087 102 102 ILE HB H 1.97 0.01 1
1088 102 102 ILE HG12 H 1.37 0.01 2
1089 102 102 ILE HG13 H 1.76 0.01 2
1090 102 102 ILE HG2 H 0.95 0.01 1
1091 102 102 ILE HD1 H 0.82 0.01 1
1092 102 102 ILE CA C 66.4 0.2 1
1093 102 102 ILE CB C 38.1 0.2 1
1094 102 102 ILE CG2 C 16.7 0.2 1
1095 102 102 ILE CD1 C 14.4 0.2 1
1096 102 102 ILE N N 119.4 0.2 1
1097 103 103 SER H H 8.46 0.01 1
1098 103 103 SER HA H 4.31 0.01 1
1099 103 103 SER HB2 H 4.02 0.01 1
1100 103 103 SER HB3 H 4.02 0.01 1
1101 103 103 SER CA C 61.9 0.2 1
1102 103 103 SER CB C 62.8 0.2 1
1103 103 103 SER N N 114.6 0.2 1
1104 104 104 ALA H H 8.06 0.01 1
1105 104 104 ALA HA H 4.14 0.01 1
1106 104 104 ALA HB H 1.47 0.01 1
1107 104 104 ALA CA C 55.3 0.2 1
1108 104 104 ALA CB C 18.0 0.2 1
1109 104 104 ALA N N 124.4 0.2 1
1110 105 105 PHE H H 8.76 0.01 1
1111 105 105 PHE HA H 4.13 0.01 1
1112 105 105 PHE HB2 H 3.02 0.01 2
1113 105 105 PHE HB3 H 3.35 0.01 2
1114 105 105 PHE HD1 H 7.29 0.01 1
1115 105 105 PHE HD2 H 7.29 0.01 1
1116 105 105 PHE HE1 H 7.12 0.01 1
1117 105 105 PHE HE2 H 7.12 0.01 1
1118 105 105 PHE HZ H 7.18 0.01 1
1119 105 105 PHE CA C 62.7 0.2 1
1120 105 105 PHE CB C 39.9 0.2 1
1121 105 105 PHE CD1 C 131.6 0.2 1
1122 105 105 PHE CD2 C 131.6 0.2 1
1123 105 105 PHE CE1 C 130.5 0.2 1
1124 105 105 PHE CE2 C 130.5 0.2 1
1125 105 105 PHE CZ C 130.9 0.2 1
1126 105 105 PHE N N 120.7 0.2 1
1127 106 106 SER H H 9.12 0.01 1
1128 106 106 SER HA H 4.21 0.01 1
1129 106 106 SER HB2 H 4.29 0.01 1
1130 106 106 SER HB3 H 4.29 0.01 1
1131 106 106 SER CA C 63.0 0.2 1
1132 106 106 SER CB C 63.0 0.2 1
1133 106 106 SER N N 115.7 0.2 1
1134 107 107 THR H H 8.37 0.01 1
1135 107 107 THR HA H 4.05 0.01 1
1136 107 107 THR HB H 4.42 0.01 1
1137 107 107 THR HG2 H 1.26 0.01 1
1138 107 107 THR CA C 67.3 0.2 1
1139 107 107 THR CB C 68.4 0.2 1
1140 107 107 THR CG2 C 21.7 0.2 1
1141 107 107 THR N N 120.8 0.2 1
1142 108 108 MET H H 7.80 0.01 1
1143 108 108 MET HA H 3.80 0.01 1
1144 108 108 MET HE H 2.15 0.01 1
1145 108 108 MET CA C 59.7 0.2 1
1146 108 108 MET CE C 16.9 0.2 1
1147 108 108 MET N N 121.3 0.2 1
1148 109 109 MET H H 8.22 0.01 1
1149 109 109 MET HA H 4.66 0.01 1
1150 109 109 MET HE H 2.15 0.01 1
1151 109 109 MET CA C 55.8 0.2 1
1152 109 109 MET CE C 16.9 0.2 1
1153 109 109 MET N N 118.0 0.2 1
1154 110 110 SER H H 8.21 0.01 1
1155 110 110 SER HA H 4.32 0.01 1
1156 110 110 SER HB2 H 4.06 0.01 1
1157 110 110 SER HB3 H 4.06 0.01 1
1158 110 110 SER CA C 62.0 0.2 1
1159 110 110 SER CB C 63.0 0.2 1
1160 110 110 SER N N 117.0 0.2 1
1161 111 111 VAL H H 7.81 0.01 1
1162 111 111 VAL HA H 3.90 0.01 1
1163 111 111 VAL HB H 2.13 0.01 1
1164 111 111 VAL HG1 H 0.92 0.01 2
1165 111 111 VAL HG2 H 1.02 0.01 2
1166 111 111 VAL CA C 65.6 0.2 1
1167 111 111 VAL CB C 32.2 0.2 1
1168 111 111 VAL CG1 C 21.3 0.2 2
1169 111 111 VAL CG2 C 21.1 0.2 2
1170 111 111 VAL N N 121.6 0.2 1
1171 112 112 HIS H H 8.35 0.01 1
1172 112 112 HIS HA H 4.46 0.01 1
1173 112 112 HIS HB2 H 3.50 0.01 2
1174 112 112 HIS HB3 H 3.67 0.01 2
1175 112 112 HIS HD2 H 7.04 0.01 1
1176 112 112 HIS HE1 H 8.24 0.01 1
1177 112 112 HIS CA C 58.8 0.2 1
1178 112 112 HIS CB C 29.9 0.2 1
1179 112 112 HIS CD2 C 119.8 0.2 1
1180 112 112 HIS CE1 C 137.8 0.2 1
1181 112 112 HIS N N 121.2 0.2 1
1182 113 113 ARG H H 8.14 0.01 1
1183 113 113 ARG HA H 4.22 0.01 1
1184 113 113 ARG HB2 H 1.96 0.01 2
1185 113 113 ARG HB3 H 2.03 0.01 2
1186 113 113 ARG HG2 H 1.73 0.01 1
1187 113 113 ARG HG3 H 1.73 0.01 1
1188 113 113 ARG HD2 H 3.23 0.01 2
1189 113 113 ARG HD3 H 3.40 0.01 2
1190 113 113 ARG CA C 57.9 0.2 1
1191 113 113 ARG CD C 43.7 0.2 1
1192 113 113 ARG N N 117.0 0.2 1
1193 114 114 GLY H H 8.08 0.01 1
1194 114 114 GLY HA2 H 4.01 0.01 2
1195 114 114 GLY HA3 H 4.09 0.01 2
1196 114 114 GLY CA C 45.7 0.2 1
1197 114 114 GLY N N 108.4 0.2 1
1198 115 115 GLU H H 8.10 0.01 1
1199 115 115 GLU HA H 4.36 0.01 1
1200 115 115 GLU HB2 H 2.03 0.01 2
1201 115 115 GLU HB3 H 2.08 0.01 2
1202 115 115 GLU HG2 H 2.32 0.01 1
1203 115 115 GLU HG3 H 2.32 0.01 1
1204 115 115 GLU CA C 56.2 0.2 1
1205 115 115 GLU CB C 30.5 0.2 1
1206 115 115 GLU CG C 36.3 0.2 1
1207 115 115 GLU N N 119.7 0.2 1
1208 116 116 VAL H H 8.03 0.01 1
1209 116 116 VAL HA H 4.48 0.01 1
1210 116 116 VAL HB H 2.11 0.01 1
1211 116 116 VAL HG1 H 0.98 0.01 2
1212 116 116 VAL HG2 H 1.03 0.01 2
1213 116 116 VAL CA C 59.7 0.2 1
1214 116 116 VAL CB C 32.8 0.2 1
1215 116 116 VAL CG1 C 20.6 0.2 2
1216 116 116 VAL CG2 C 21.2 0.2 2
1217 116 116 VAL N N 121.1 0.2 1
1218 117 117 PRO HA H 4.52 0.01 1
1219 117 117 PRO HB2 H 1.99 0.01 2
1220 117 117 PRO HB3 H 2.36 0.01 2
1221 117 117 PRO HG2 H 2.09 0.01 1
1222 117 117 PRO HG3 H 2.09 0.01 1
1223 117 117 PRO HD2 H 3.75 0.01 2
1224 117 117 PRO HD3 H 3.92 0.01 2
1225 117 117 PRO CA C 63.1 0.2 1
1226 117 117 PRO CB C 32.3 0.2 1
1227 117 117 PRO CG C 27.4 0.2 1
1228 117 117 PRO CD C 51.0 0.2 1
1229 118 118 CYS H H 8.57 0.01 1
1230 118 118 CYS HA H 4.64 0.01 1
1231 118 118 CYS HB2 H 3.02 0.01 1
1232 118 118 CYS HB3 H 3.02 0.01 1
1233 118 118 CYS CA C 58.5 0.2 1
1234 118 118 CYS CB C 28.1 0.2 1
1235 118 118 CYS N N 119.9 0.2 1
1236 119 119 THR H H 8.32 0.01 1
1237 119 119 THR HA H 4.48 0.01 1
1238 119 119 THR HB H 4.32 0.01 1
1239 119 119 THR HG2 H 1.27 0.01 1
1240 119 119 THR CA C 61.8 0.2 1
1241 119 119 THR CB C 69.9 0.2 1
1242 119 119 THR CG2 C 21.8 0.2 1
1243 119 119 THR N N 117.4 0.2 1
1244 120 120 VAL H H 7.83 0.01 1
1245 120 120 VAL HA H 4.12 0.01 1
1246 120 120 VAL HB H 2.16 0.01 1
1247 120 120 VAL HG1 H 0.95 0.01 2
1248 120 120 VAL HG2 H 0.97 0.01 2
1249 120 120 VAL CA C 63.8 0.2 1
1250 120 120 VAL CB C 33.3 0.2 1
1251 120 120 VAL CG1 C 20.3 0.2 2
1252 120 120 VAL CG2 C 21.7 0.2 2
1253 120 120 VAL N N 126.3 0.2 1
stop_
save_