data_6438
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Sequence-specific resonance assignments of the C-terminal, 137-residue
pseudo-receiver domain of circadian input kinase (CikA) that resets the
circadian clock in Synechococcus elongatus
;
_BMRB_accession_number 6438
_BMRB_flat_file_name bmr6438.str
_Entry_type original
_Submission_date 2004-12-17
_Accession_date 2004-12-20
_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 Gao Tiyu . .
2 Zhang Xiaofan . .
3 Xia Youlin . .
4 Golden Susan S. .
5 LiWang Andy C. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 783
"13C chemical shifts" 476
"15N chemical shifts" 147
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2005-08-29 original author .
stop_
_Original_release_date 2005-08-29
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
1H, 13C and 15N Chemical Shift Assignments of the C-Terminal, 133-Residue
Pseudo-Receiver Domain of Circadian Input Kinase (CikA) in Synechococcus
elongatus
;
_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 Gao Tiyu . .
2 Zhang Xiaofan . .
3 Xia Youlin . .
4 Cho Yoonsang . .
5 Sacchettini James C. .
6 Golden Susan S. .
7 LiWang Andy C. .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 32
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 259
_Page_last 259
_Year 2005
_Details .
save_
##################################
# Molecular system description #
##################################
save_CikA_C-terminus
_Saveframe_category molecular_system
_Mol_system_name 'CikA C-terminus'
_Abbreviation_common 'CikA C-terminus'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'CikA C-terminus' $CikAPsR
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_CikAPsR
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common CikA
_Name_variant C-terminus
_Abbreviation_common CikAPsR
_Molecular_mass 14772
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 137
_Mol_residue_sequence
;
GSHMIDNLPAGHILLLEEED
EAATVVCEMLTAAGFKVIWL
VDGSTALDQLDLLQPIVILM
AWPPPDQSCLLLLQHLREHQ
ADPHPPLVLFLGEPPVDPLL
TAQASAILSKPLDPQLLLTT
LQGLCPPNLSEGDRPSS
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 HIS 4 MET 5 ILE
6 ASP 7 ASN 8 LEU 9 PRO 10 ALA
11 GLY 12 HIS 13 ILE 14 LEU 15 LEU
16 LEU 17 GLU 18 GLU 19 GLU 20 ASP
21 GLU 22 ALA 23 ALA 24 THR 25 VAL
26 VAL 27 CYS 28 GLU 29 MET 30 LEU
31 THR 32 ALA 33 ALA 34 GLY 35 PHE
36 LYS 37 VAL 38 ILE 39 TRP 40 LEU
41 VAL 42 ASP 43 GLY 44 SER 45 THR
46 ALA 47 LEU 48 ASP 49 GLN 50 LEU
51 ASP 52 LEU 53 LEU 54 GLN 55 PRO
56 ILE 57 VAL 58 ILE 59 LEU 60 MET
61 ALA 62 TRP 63 PRO 64 PRO 65 PRO
66 ASP 67 GLN 68 SER 69 CYS 70 LEU
71 LEU 72 LEU 73 LEU 74 GLN 75 HIS
76 LEU 77 ARG 78 GLU 79 HIS 80 GLN
81 ALA 82 ASP 83 PRO 84 HIS 85 PRO
86 PRO 87 LEU 88 VAL 89 LEU 90 PHE
91 LEU 92 GLY 93 GLU 94 PRO 95 PRO
96 VAL 97 ASP 98 PRO 99 LEU 100 LEU
101 THR 102 ALA 103 GLN 104 ALA 105 SER
106 ALA 107 ILE 108 LEU 109 SER 110 LYS
111 PRO 112 LEU 113 ASP 114 PRO 115 GLN
116 LEU 117 LEU 118 LEU 119 THR 120 THR
121 LEU 122 GLN 123 GLY 124 LEU 125 CYS
126 PRO 127 PRO 128 ASN 129 LEU 130 SER
131 GLU 132 GLY 133 ASP 134 ARG 135 PRO
136 SER 137 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-21
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 2J48 "Nmr Structure Of The Pseudo-Receiver Domain Of The Cika Protein" 86.86 119 100.00 100.00 9.35e-75
DBJ BAD79072 "two-component sensor kinase [Synechococcus elongatus PCC 6301]" 97.08 754 100.00 100.00 1.17e-81
GB AAF82192 "circadian input kinase [Synechococcus elongatus PCC 7942]" 97.08 754 100.00 100.00 1.17e-81
GB ABB56676 "GAF sensor hybrid histidine kinase [Synechococcus elongatus PCC 7942]" 97.08 754 100.00 100.00 1.17e-81
GB AJD58780 "ATPase [Synechococcus sp. UTEX 2973]" 97.08 754 100.00 100.00 1.17e-81
REF WP_011243194 "ATPase [Synechococcus elongatus]" 97.08 754 100.00 100.00 1.17e-81
REF YP_171592 "two-component sensor kinase [Synechococcus elongatus PCC 6301]" 97.08 754 100.00 100.00 1.17e-81
REF YP_399663 "GAF sensor hybrid histidine kinase [Synechococcus elongatus PCC 7942]" 97.08 754 100.00 100.00 1.17e-81
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$CikAPsR 'Synechococcus elongatus' 32046 Eubacteria . Synechococcus elongatus
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
$CikAPsR 'recombinant technology' 'Escherichia coli' . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_CikAPsR
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$CikAPsR 1.3 mM '[U-99% 13C; U-99% 15N]'
NaCL 50 mM .
Phosphate 20 mM .
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2004.126.16.02
loop_
_Task
'NMR data processing'
stop_
_Details
;
Delaglio, F., S. Grzesiek, Vuister, G.W., Zhu, G.,
Pfeifer, J. and A. Bax. (1995)
J. Biomol. NMR. 6, 277-293.
;
save_
save_STAPP
_Saveframe_category software
_Name STAPP
_Version 4.2.6
loop_
_Task
'Spin system creation'
'partial sequence specific assignments'
stop_
_Details
;
Garrett, D.S., Powers, R., Gronenborn, A.M. and Clore, G.M, (1991)
J. Magn. Reson., 95, 214-220.
;
save_
save_PIPP
_Saveframe_category software
_Name PIPP
_Version 4.2.6
loop_
_Task
'Spectra visualization'
stop_
_Details
;
Garrett, D.S., Powers, R., Gronenborn, A.M. and Clore, G.M, (1991)
J. Magn. Reson., 95, 214-220.
;
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N HSQC'
_Sample_label .
save_
save_13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C HSQC'
_Sample_label .
save_
save_CDCA(NCO)CAHA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name CDCA(NCO)CAHA
_Sample_label .
save_
save_HCAN_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HCAN
_Sample_label .
save_
save_HCA(CO)N_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HCA(CO)N
_Sample_label .
save_
save_(HB)CB(CGCD)HD_6
_Saveframe_category NMR_applied_experiment
_Experiment_name (HB)CB(CGCD)HD
_Sample_label .
save_
save_(HB)CB(CGCDCE)HE_7
_Saveframe_category NMR_applied_experiment
_Experiment_name (HB)CB(CGCDCE)HE
_Sample_label .
save_
save_CBCA(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_Sample_label .
save_
save_CBCANH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCANH
_Sample_label .
save_
save_C(CO)NH_10
_Saveframe_category NMR_applied_experiment
_Experiment_name C(CO)NH
_Sample_label .
save_
save_H(CCO)NH_11
_Saveframe_category NMR_applied_experiment
_Experiment_name H(CCO)NH
_Sample_label .
save_
save_HBHACONH_12
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHACONH
_Sample_label .
save_
save_HCCH-TOCSY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_4D_13C-13C_edited_NOESY_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 13C-13C edited NOESY'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name CDCA(NCO)CAHA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HCAN
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HCA(CO)N
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name (HB)CB(CGCD)HD
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name (HB)CB(CGCDCE)HE
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCANH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name C(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_11
_Saveframe_category NMR_applied_experiment
_Experiment_name H(CCO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_12
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHACONH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_13
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 13C-13C edited NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_Ex-cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.0 0.05 pH
temperature 298 0.05 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
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_CikAPsR_chemical_shifts
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'15N HSQC'
'13C HSQC'
CDCA(NCO)CAHA
HCAN
HCA(CO)N
(HB)CB(CGCD)HD
(HB)CB(CGCDCE)HE
CBCA(CO)NH
CBCANH
C(CO)NH
H(CCO)NH
HBHACONH
HCCH-TOCSY
'4D 13C-13C edited NOESY'
stop_
loop_
_Sample_label
$sample_CikAPsR
stop_
_Sample_conditions_label $Ex-cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'CikA C-terminus'
_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 . 3 HIS HA H 4.14 0.05 1
2 . 3 HIS HB2 H 3.11 0.05 2
3 . 3 HIS HB3 H 2.85 0.05 2
4 . 3 HIS HD2 H 6.92 0.05 1
5 . 3 HIS CA C 54.73 0.50 1
6 . 3 HIS CB C 31.87 0.50 1
7 . 3 HIS CD2 C 117.53 0.50 1
8 . 3 HIS N N 121.66 0.30 1
9 . 4 MET H H 8.30 0.05 1
10 . 4 MET HA H 4.43 0.05 1
11 . 4 MET HB2 H 1.96 0.05 2
12 . 4 MET HB3 H 1.99 0.05 2
13 . 4 MET HG2 H 2.10 0.05 2
14 . 4 MET HG3 H 2.26 0.05 2
15 . 4 MET HE H 2.11 0.05 1
16 . 4 MET CA C 54.98 0.50 1
17 . 4 MET CB C 32.98 0.50 1
18 . 4 MET CG C 31.50 0.50 1
19 . 4 MET CE C 17.07 0.50 1
20 . 4 MET N N 120.50 0.30 1
21 . 5 ILE H H 8.18 0.05 1
22 . 5 ILE HA H 4.17 0.05 1
23 . 5 ILE HB H 1.85 0.05 1
24 . 5 ILE HG12 H 1.43 0.05 2
25 . 5 ILE HG13 H 1.14 0.05 2
26 . 5 ILE HG2 H 0.88 0.05 1
27 . 5 ILE HD1 H 0.85 0.05 1
28 . 5 ILE CA C 61.27 0.50 1
29 . 5 ILE CB C 38.78 0.50 1
30 . 5 ILE CG1 C 27.23 0.50 1
31 . 5 ILE CG2 C 17.62 0.50 1
32 . 5 ILE CD1 C 13.12 0.50 1
33 . 5 ILE N N 121.72 0.30 1
34 . 6 ASP H H 8.37 0.05 1
35 . 6 ASP HA H 4.58 0.05 1
36 . 6 ASP HB2 H 2.64 0.05 1
37 . 6 ASP HB3 H 2.64 0.05 1
38 . 6 ASP CA C 54.52 0.50 1
39 . 6 ASP CB C 41.30 0.50 1
40 . 6 ASP N N 123.68 0.30 1
41 . 7 ASN H H 8.34 0.05 1
42 . 7 ASN HA H 4.67 0.05 1
43 . 7 ASN HB2 H 2.80 0.05 2
44 . 7 ASN HB3 H 2.73 0.05 2
45 . 7 ASN HD21 H 6.88 0.05 1
46 . 7 ASN HD22 H 7.55 0.05 1
47 . 7 ASN CA C 53.30 0.50 1
48 . 7 ASN CB C 39.02 0.50 1
49 . 7 ASN N N 118.10 0.30 1
50 . 7 ASN ND2 N 112.68 0.30 1
51 . 8 LEU H H 8.12 0.05 1
52 . 8 LEU HA H 4.58 0.05 1
53 . 8 LEU HB2 H 1.61 0.05 2
54 . 8 LEU HB3 H 1.48 0.05 2
55 . 8 LEU HG H 0.86 0.05 1
56 . 8 LEU HD1 H 0.86 0.05 1
57 . 8 LEU HD2 H 0.86 0.05 1
58 . 8 LEU CA C 53.20 0.50 1
59 . 8 LEU CB C 41.79 0.50 1
60 . 8 LEU CG C 26.29 0.50 1
61 . 8 LEU CD1 C 23.47 0.50 1
62 . 8 LEU CD2 C 23.47 0.50 1
63 . 8 LEU N N 123.20 0.30 1
64 . 9 PRO HA H 4.42 0.05 1
65 . 9 PRO HB2 H 2.22 0.05 2
66 . 9 PRO HB3 H 1.84 0.05 2
67 . 9 PRO HG2 H 2.22 0.05 2
68 . 9 PRO HG3 H 2.02 0.05 2
69 . 9 PRO HD2 H 3.77 0.05 2
70 . 9 PRO HD3 H 3.59 0.05 2
71 . 9 PRO CA C 63.01 0.50 1
72 . 9 PRO CB C 32.11 0.50 1
73 . 9 PRO CG C 27.30 0.50 1
74 . 9 PRO CD C 50.46 0.50 1
75 . 9 PRO N N 136.48 0.30 1
76 . 10 ALA H H 8.19 0.05 1
77 . 10 ALA HA H 4.25 0.05 1
78 . 10 ALA HB H 1.11 0.05 1
79 . 10 ALA CA C 52.41 0.50 1
80 . 10 ALA CB C 19.40 0.50 1
81 . 10 ALA N N 123.67 0.30 1
82 . 11 GLY H H 7.96 0.05 1
83 . 11 GLY HA2 H 4.03 0.05 1
84 . 11 GLY HA3 H 4.03 0.05 1
85 . 11 GLY CA C 45.18 0.50 1
86 . 11 GLY N N 105.88 0.30 1
87 . 12 HIS H H 8.82 0.05 1
88 . 12 HIS HA H 5.30 0.05 1
89 . 12 HIS HB2 H 2.98 0.05 2
90 . 12 HIS HB3 H 2.80 0.05 2
91 . 12 HIS HD2 H 7.02 0.05 1
92 . 12 HIS CA C 56.68 0.50 1
93 . 12 HIS CB C 30.81 0.50 1
94 . 12 HIS CD2 C 119.68 0.50 1
95 . 12 HIS N N 118.82 0.30 1
96 . 13 ILE H H 9.07 0.05 1
97 . 13 ILE HA H 4.71 0.05 1
98 . 13 ILE HB H 1.79 0.05 1
99 . 13 ILE HG12 H 1.33 0.05 2
100 . 13 ILE HG13 H 1.14 0.05 2
101 . 13 ILE HG2 H 0.58 0.05 1
102 . 13 ILE HD1 H 0.24 0.05 1
103 . 13 ILE CA C 59.31 0.50 1
104 . 13 ILE CB C 39.83 0.50 1
105 . 13 ILE CG1 C 27.61 0.50 1
106 . 13 ILE CG2 C 16.23 0.50 1
107 . 13 ILE CD1 C 12.78 0.50 1
108 . 13 ILE N N 122.15 0.30 1
109 . 14 LEU H H 8.36 0.05 1
110 . 14 LEU HA H 5.23 0.05 1
111 . 14 LEU HB2 H 1.80 0.05 2
112 . 14 LEU HB3 H 1.30 0.05 2
113 . 14 LEU HG H 1.55 0.05 1
114 . 14 LEU HD1 H 0.89 0.05 1
115 . 14 LEU HD2 H 0.83 0.05 1
116 . 14 LEU CA C 53.43 0.50 1
117 . 14 LEU CB C 44.98 0.50 1
118 . 14 LEU CG C 27.72 0.50 1
119 . 14 LEU CD1 C 24.85 0.50 1
120 . 14 LEU CD2 C 24.85 0.50 1
121 . 14 LEU N N 127.66 0.30 1
122 . 15 LEU H H 9.32 0.05 1
123 . 15 LEU HA H 5.30 0.05 1
124 . 15 LEU HB2 H 1.85 0.05 2
125 . 15 LEU HB3 H 0.95 0.05 2
126 . 15 LEU HG H 0.95 0.05 1
127 . 15 LEU HD2 H 0.78 0.05 1
128 . 15 LEU HD1 H 0.38 0.05 1
129 . 15 LEU CA C 53.49 0.50 1
130 . 15 LEU CB C 45.31 0.50 1
131 . 15 LEU CG C 26.67 0.50 1
132 . 15 LEU CD1 C 26.67 0.50 1
133 . 15 LEU CD2 C 24.32 0.50 1
134 . 15 LEU N N 129.19 0.30 1
135 . 16 LEU H H 9.15 0.05 1
136 . 16 LEU HA H 5.42 0.05 1
137 . 16 LEU HB2 H 1.84 0.05 2
138 . 16 LEU HB3 H 1.47 0.05 2
139 . 16 LEU HG H 1.58 0.05 1
140 . 16 LEU HD2 H 0.81 0.05 1
141 . 16 LEU HD1 H 0.85 0.05 1
142 . 16 LEU CA C 53.62 0.50 1
143 . 16 LEU CB C 43.52 0.50 1
144 . 16 LEU CG C 28.26 0.50 1
145 . 16 LEU CD1 C 26.70 0.50 1
146 . 16 LEU CD2 C 25.66 0.50 1
147 . 16 LEU N N 129.96 0.30 1
148 . 17 GLU H H 7.97 0.05 1
149 . 17 GLU HA H 4.60 0.05 1
150 . 17 GLU HB2 H 2.23 0.05 2
151 . 17 GLU HB3 H 1.50 0.05 2
152 . 17 GLU HG2 H 1.91 0.05 1
153 . 17 GLU HG3 H 1.91 0.05 1
154 . 17 GLU CA C 55.31 0.50 1
155 . 17 GLU CB C 33.30 0.50 1
156 . 17 GLU CG C 37.61 0.50 1
157 . 17 GLU N N 122.51 0.30 1
158 . 18 GLU HA H 4.57 0.05 1
159 . 18 GLU HB2 H 2.07 0.05 1
160 . 18 GLU HB3 H 2.07 0.05 1
161 . 18 GLU HG2 H 2.37 0.05 1
162 . 18 GLU HG3 H 2.37 0.05 1
163 . 18 GLU CA C 55.23 0.50 1
164 . 18 GLU CB C 33.31 0.50 1
165 . 18 GLU CG C 36.26 0.50 1
166 . 18 GLU N N 123.62 0.30 1
167 . 19 GLU HA H 4.07 0.05 1
168 . 19 GLU HB2 H 2.05 0.05 2
169 . 19 GLU HB3 H 1.74 0.05 2
170 . 19 GLU HG2 H 2.47 0.05 2
171 . 19 GLU HG3 H 2.20 0.05 2
172 . 19 GLU CA C 57.75 0.50 1
173 . 19 GLU CB C 30.18 0.50 1
174 . 19 GLU CG C 36.54 0.50 1
175 . 19 GLU N N 118.24 0.30 1
176 . 20 ASP HA H 4.61 0.05 1
177 . 20 ASP HB2 H 2.68 0.05 2
178 . 20 ASP HB3 H 2.61 0.05 2
179 . 20 ASP CA C 54.39 0.50 1
180 . 20 ASP CB C 41.22 0.50 1
181 . 20 ASP N N 117.36 0.30 1
182 . 21 GLU H H 9.10 0.05 1
183 . 21 GLU HA H 3.98 0.05 1
184 . 21 GLU HB2 H 2.10 0.05 1
185 . 21 GLU HB3 H 2.10 0.05 1
186 . 21 GLU HG2 H 2.31 0.05 1
187 . 21 GLU HG3 H 2.31 0.05 1
188 . 21 GLU CA C 60.35 0.50 1
189 . 21 GLU CB C 29.08 0.50 1
190 . 21 GLU CG C 33.82 0.50 1
191 . 21 GLU N N 120.95 0.30 1
192 . 22 ALA H H 7.43 0.05 1
193 . 22 ALA HA H 4.13 0.05 1
194 . 22 ALA HB H 1.35 0.05 1
195 . 22 ALA CA C 54.34 0.50 1
196 . 22 ALA CB C 18.61 0.50 1
197 . 22 ALA N N 120.79 0.30 1
198 . 23 ALA H H 7.88 0.05 1
199 . 23 ALA HA H 3.39 0.05 1
200 . 23 ALA HB H 0.01 0.05 1
201 . 23 ALA CA C 54.99 0.50 1
202 . 23 ALA CB C 17.22 0.50 1
203 . 23 ALA N N 118.24 0.30 1
204 . 24 THR H H 8.07 0.05 1
205 . 24 THR HA H 3.64 0.05 1
206 . 24 THR HB H 4.22 0.05 1
207 . 24 THR HG2 H 1.22 0.05 1
208 . 24 THR CA C 67.07 0.50 1
209 . 24 THR CB C 68.74 0.50 1
210 . 24 THR CG2 C 21.27 0.50 1
211 . 24 THR N N 114.19 0.30 1
212 . 25 VAL H H 7.29 0.05 1
213 . 25 VAL HA H 3.75 0.05 1
214 . 25 VAL HB H 2.14 0.05 1
215 . 25 VAL HG1 H 1.10 0.05 1
216 . 25 VAL HG2 H 0.91 0.05 1
217 . 25 VAL CA C 66.26 0.50 1
218 . 25 VAL CB C 31.89 0.50 1
219 . 25 VAL CG1 C 22.40 0.50 1
220 . 25 VAL CG2 C 20.75 0.50 1
221 . 25 VAL N N 120.96 0.30 1
222 . 26 VAL H H 7.58 0.05 1
223 . 26 VAL HA H 3.29 0.05 1
224 . 26 VAL HB H 1.99 0.05 1
225 . 26 VAL HG1 H 0.85 0.05 1
226 . 26 VAL HG2 H 0.73 0.05 1
227 . 26 VAL CA C 67.10 0.50 1
228 . 26 VAL CB C 31.48 0.50 1
229 . 26 VAL CG1 C 22.96 0.50 1
230 . 26 VAL CG2 C 22.96 0.50 1
231 . 26 VAL N N 118.81 0.30 1
232 . 27 CYS H H 8.60 0.05 1
233 . 27 CYS HA H 3.83 0.05 1
234 . 27 CYS HB2 H 2.94 0.05 1
235 . 27 CYS HB3 H 2.94 0.05 1
236 . 27 CYS CA C 64.95 0.50 1
237 . 27 CYS CB C 26.70 0.50 1
238 . 27 CYS N N 116.81 0.30 1
239 . 28 GLU H H 8.61 0.05 1
240 . 28 GLU HA H 4.03 0.05 1
241 . 28 GLU HB2 H 2.10 0.05 2
242 . 28 GLU HB3 H 1.79 0.05 2
243 . 28 GLU HG2 H 1.97 0.05 2
244 . 28 GLU HG3 H 1.80 0.05 2
245 . 28 GLU CA C 60.11 0.50 1
246 . 28 GLU CB C 29.49 0.50 1
247 . 28 GLU CG C 36.66 0.50 1
248 . 28 GLU N N 120.80 0.30 1
249 . 29 MET H H 8.06 0.05 1
250 . 29 MET HA H 4.34 0.05 1
251 . 29 MET HB2 H 2.22 0.05 2
252 . 29 MET HB3 H 2.04 0.05 2
253 . 29 MET HG2 H 2.71 0.05 2
254 . 29 MET HG3 H 2.57 0.05 2
255 . 29 MET HE H 2.04 0.05 1
256 . 29 MET CA C 58.17 0.50 1
257 . 29 MET CB C 32.00 0.50 1
258 . 29 MET CG C 31.90 0.50 1
259 . 29 MET CE C 17.23 0.50 1
260 . 29 MET N N 118.15 0.30 1
261 . 30 LEU H H 8.43 0.05 1
262 . 30 LEU HA H 4.27 0.05 1
263 . 30 LEU HB2 H 1.94 0.05 2
264 . 30 LEU HB3 H 1.20 0.05 2
265 . 30 LEU HG H 0.55 0.05 1
266 . 30 LEU HD1 H 0.55 0.05 1
267 . 30 LEU HD2 H 0.55 0.05 1
268 . 30 LEU CA C 57.77 0.50 1
269 . 30 LEU CB C 40.40 0.50 1
270 . 30 LEU CG C 26.28 0.50 1
271 . 30 LEU CD1 C 22.50 0.50 1
272 . 30 LEU CD2 C 22.50 0.50 1
273 . 30 LEU N N 116.82 0.30 1
274 . 31 THR H H 8.19 0.05 1
275 . 31 THR HA H 4.73 0.05 1
276 . 31 THR HB H 4.33 0.05 1
277 . 31 THR HG2 H 1.41 0.05 1
278 . 31 THR CA C 66.37 0.50 1
279 . 31 THR CB C 68.68 0.50 1
280 . 31 THR CG2 C 21.19 0.50 1
281 . 31 THR N N 117.30 0.30 1
282 . 32 ALA H H 7.68 0.05 1
283 . 32 ALA HA H 4.22 0.05 1
284 . 32 ALA HB H 1.58 0.05 1
285 . 32 ALA CA C 54.96 0.50 1
286 . 32 ALA CB C 17.80 0.50 1
287 . 32 ALA N N 125.36 0.30 1
288 . 33 ALA H H 7.30 0.05 1
289 . 33 ALA HA H 4.44 0.05 1
290 . 33 ALA HB H 1.67 0.05 1
291 . 33 ALA CA C 52.05 0.50 1
292 . 33 ALA CB C 19.51 0.50 1
293 . 33 ALA N N 117.89 0.30 1
294 . 34 GLY H H 7.69 0.05 1
295 . 34 GLY HA2 H 4.18 0.05 2
296 . 34 GLY HA3 H 3.65 0.05 2
297 . 34 GLY CA C 45.21 0.50 1
298 . 34 GLY N N 104.65 0.30 1
299 . 35 PHE H H 7.96 0.05 1
300 . 35 PHE HA H 4.67 0.05 1
301 . 35 PHE HB2 H 2.88 0.05 2
302 . 35 PHE HB3 H 2.50 0.05 2
303 . 35 PHE HD1 H 7.30 0.05 1
304 . 35 PHE HD2 H 7.30 0.05 1
305 . 35 PHE HE1 H 7.18 0.05 1
306 . 35 PHE HE2 H 7.18 0.05 1
307 . 35 PHE CA C 57.97 0.50 1
308 . 35 PHE CB C 40.25 0.50 1
309 . 35 PHE CD1 C 131.91 0.50 1
310 . 35 PHE CD2 C 131.91 0.50 1
311 . 35 PHE CE1 C 130.67 0.50 1
312 . 35 PHE CE2 C 130.67 0.50 1
313 . 35 PHE N N 118.48 0.30 1
314 . 36 LYS H H 8.59 0.05 1
315 . 36 LYS HA H 4.68 0.05 1
316 . 36 LYS HB2 H 1.72 0.05 2
317 . 36 LYS HB3 H 1.56 0.05 2
318 . 36 LYS HG2 H 1.34 0.05 1
319 . 36 LYS HG3 H 1.34 0.05 1
320 . 36 LYS HD2 H 1.60 0.05 1
321 . 36 LYS HD3 H 1.60 0.05 1
322 . 36 LYS HE2 H 2.92 0.05 1
323 . 36 LYS HE3 H 2.92 0.05 1
324 . 36 LYS CA C 55.23 0.50 1
325 . 36 LYS CB C 33.22 0.50 1
326 . 36 LYS CG C 25.00 0.50 1
327 . 36 LYS CD C 29.05 0.50 1
328 . 36 LYS CE C 42.27 0.50 1
329 . 36 LYS N N 121.97 0.30 1
330 . 37 VAL H H 8.77 0.05 1
331 . 37 VAL HA H 4.86 0.05 1
332 . 37 VAL HB H 2.00 0.05 1
333 . 37 VAL HG1 H 0.84 0.05 1
334 . 37 VAL HG2 H 0.84 0.05 1
335 . 37 VAL CA C 60.97 0.50 1
336 . 37 VAL CB C 33.31 0.50 1
337 . 37 VAL CG1 C 22.73 0.50 1
338 . 37 VAL CG2 C 22.73 0.50 1
339 . 37 VAL N N 125.36 0.30 1
340 . 38 ILE H H 9.12 0.05 1
341 . 38 ILE HA H 4.42 0.05 1
342 . 38 ILE HB H 1.90 0.05 1
343 . 38 ILE HG12 H 1.36 0.05 1
344 . 38 ILE HG13 H 1.36 0.05 1
345 . 38 ILE HG2 H 0.80 0.05 1
346 . 38 ILE HD1 H 0.80 0.05 1
347 . 38 ILE CA C 59.88 0.50 1
348 . 38 ILE CB C 38.71 0.50 1
349 . 38 ILE CG1 C 27.93 0.50 1
350 . 38 ILE CG2 C 17.57 0.50 1
351 . 38 ILE CD1 C 13.07 0.50 1
352 . 38 ILE N N 130.33 0.30 1
353 . 39 TRP H H 8.85 0.05 1
354 . 39 TRP HA H 5.73 0.05 1
355 . 39 TRP HB2 H 3.39 0.05 2
356 . 39 TRP HB3 H 2.74 0.05 2
357 . 39 TRP HD1 H 7.30 0.05 1
358 . 39 TRP HZ2 H 7.13 0.05 1
359 . 39 TRP HH2 H 7.22 0.05 1
360 . 39 TRP HZ3 H 7.06 0.05 1
361 . 39 TRP HE3 H 7.54 0.05 1
362 . 39 TRP CA C 54.21 0.50 1
363 . 39 TRP CB C 30.01 0.50 1
364 . 39 TRP CD1 C 125.19 0.50 1
365 . 39 TRP CZ2 C 114.30 0.50 1
366 . 39 TRP CH2 C 124.47 0.50 1
367 . 39 TRP CZ3 C 121.50 0.50 1
368 . 39 TRP CE3 C 120.51 0.50 1
369 . 39 TRP N N 129.83 0.30 1
370 . 40 LEU H H 9.37 0.05 1
371 . 40 LEU HA H 4.61 0.05 1
372 . 40 LEU HB2 H 1.63 0.05 1
373 . 40 LEU HB3 H 1.63 0.05 1
374 . 40 LEU HG H 1.64 0.05 1
375 . 40 LEU HD1 H 0.83 0.05 1
376 . 40 LEU HD2 H 0.73 0.05 1
377 . 40 LEU CA C 53.21 0.50 1
378 . 40 LEU CB C 44.80 0.50 1
379 . 40 LEU CG C 27.00 0.50 1
380 . 40 LEU CD1 C 25.75 0.50 1
381 . 40 LEU CD2 C 22.76 0.50 1
382 . 40 LEU N N 130.16 0.30 1
383 . 41 VAL H H 8.01 0.05 1
384 . 41 VAL HA H 4.43 0.05 1
385 . 41 VAL HB H 2.26 0.05 1
386 . 41 VAL HG1 H 0.76 0.05 1
387 . 41 VAL HG2 H 0.76 0.05 1
388 . 41 VAL CA C 60.84 0.50 1
389 . 41 VAL CB C 32.43 0.50 1
390 . 41 VAL CG1 C 20.90 0.50 1
391 . 41 VAL CG2 C 18.99 0.50 1
392 . 41 VAL N N 111.72 0.30 1
393 . 42 ASP H H 7.19 0.05 1
394 . 42 ASP HA H 4.69 0.05 1
395 . 42 ASP HB2 H 2.76 0.05 2
396 . 42 ASP HB3 H 2.62 0.05 2
397 . 42 ASP CA C 52.53 0.50 1
398 . 42 ASP CB C 44.00 0.50 1
399 . 42 ASP N N 116.05 0.30 1
400 . 43 GLY H H 10.14 0.05 1
401 . 43 GLY HA2 H 3.82 0.05 2
402 . 43 GLY HA3 H 3.69 0.05 2
403 . 43 GLY CA C 46.98 0.50 1
404 . 43 GLY N N 111.28 0.30 1
405 . 44 SER H H 8.90 0.05 1
406 . 44 SER HA H 4.09 0.05 1
407 . 44 SER HB2 H 3.92 0.05 1
408 . 44 SER HB3 H 3.92 0.05 1
409 . 44 SER CA C 62.56 0.50 1
410 . 44 SER CB C 62.56 0.50 1
411 . 44 SER N N 119.35 0.30 1
412 . 45 THR H H 8.40 0.05 1
413 . 45 THR HB H 4.25 0.05 1
414 . 45 THR HA H 4.25 0.05 1
415 . 45 THR HG2 H 1.23 0.05 1
416 . 45 THR CA C 64.75 0.50 1
417 . 45 THR CB C 68.58 0.50 1
418 . 45 THR CG2 C 22.08 0.50 1
419 . 45 THR N N 117.25 0.30 1
420 . 46 ALA H H 7.35 0.05 1
421 . 46 ALA HA H 3.69 0.05 1
422 . 46 ALA HB H 1.42 0.05 1
423 . 46 ALA CA C 55.64 0.50 1
424 . 46 ALA CB C 19.63 0.50 1
425 . 46 ALA N N 122.19 0.30 1
426 . 47 LEU H H 8.20 0.05 1
427 . 47 LEU HA H 3.79 0.05 1
428 . 47 LEU HB2 H 1.62 0.05 1
429 . 47 LEU HB3 H 1.62 0.05 1
430 . 47 LEU HG H 1.50 0.05 1
431 . 47 LEU HD1 H 0.64 0.05 1
432 . 47 LEU HD2 H 0.64 0.05 1
433 . 47 LEU CA C 58.14 0.50 1
434 . 47 LEU CB C 41.61 0.50 1
435 . 47 LEU CG C 27.45 0.50 1
436 . 47 LEU CD1 C 24.41 0.50 1
437 . 47 LEU CD2 C 24.41 0.50 1
438 . 47 LEU N N 117.02 0.30 1
439 . 48 ASP H H 7.76 0.05 1
440 . 48 ASP HA H 4.39 0.05 1
441 . 48 ASP HB2 H 2.80 0.05 2
442 . 48 ASP HB3 H 2.69 0.05 2
443 . 48 ASP CA C 56.94 0.50 1
444 . 48 ASP CB C 41.02 0.50 1
445 . 48 ASP N N 118.54 0.30 1
446 . 49 GLN H H 7.71 0.05 1
447 . 49 GLN HA H 4.36 0.05 1
448 . 49 GLN HB2 H 2.32 0.05 2
449 . 49 GLN HB3 H 1.80 0.05 2
450 . 49 GLN HG2 H 2.39 0.05 1
451 . 49 GLN HG3 H 2.39 0.05 1
452 . 49 GLN HE21 H 6.41 0.05 1
453 . 49 GLN HE22 H 7.10 0.05 1
454 . 49 GLN CA C 56.59 0.50 1
455 . 49 GLN CB C 29.09 0.50 1
456 . 49 GLN CG C 33.85 0.50 1
457 . 49 GLN N N 115.10 0.30 1
458 . 49 GLN NE2 N 109.50 0.30 1
459 . 50 LEU H H 7.72 0.05 1
460 . 50 LEU HA H 3.74 0.05 1
461 . 50 LEU HB2 H 1.75 0.05 1
462 . 50 LEU HB3 H 1.75 0.05 1
463 . 50 LEU HG H 1.76 0.05 1
464 . 50 LEU HD1 H 0.80 0.05 1
465 . 50 LEU HD2 H 0.77 0.05 1
466 . 50 LEU CA C 59.44 0.50 1
467 . 50 LEU CB C 42.05 0.50 1
468 . 50 LEU CG C 26.45 0.50 1
469 . 50 LEU CD1 C 24.76 0.50 1
470 . 50 LEU CD2 C 24.76 0.50 1
471 . 50 LEU N N 122.28 0.30 1
472 . 51 ASP H H 8.18 0.05 1
473 . 51 ASP HA H 4.45 0.05 1
474 . 51 ASP HB2 H 2.64 0.05 1
475 . 51 ASP HB3 H 2.64 0.05 1
476 . 51 ASP CA C 56.66 0.50 1
477 . 51 ASP CB C 40.63 0.50 1
478 . 51 ASP N N 116.55 0.30 1
479 . 52 LEU H H 7.57 0.05 1
480 . 52 LEU HA H 4.26 0.05 1
481 . 52 LEU HB2 H 1.72 0.05 2
482 . 52 LEU HB3 H 1.60 0.05 2
483 . 52 LEU HG H 1.61 0.05 1
484 . 52 LEU HD1 H 0.91 0.05 1
485 . 52 LEU HD2 H 0.87 0.05 1
486 . 52 LEU CA C 56.76 0.50 1
487 . 52 LEU CB C 42.83 0.50 1
488 . 52 LEU CG C 27.13 0.50 1
489 . 52 LEU CD1 C 24.20 0.50 1
490 . 52 LEU CD2 C 24.20 0.50 1
491 . 52 LEU N N 118.96 0.30 1
492 . 53 LEU H H 8.25 0.05 1
493 . 53 LEU HA H 4.12 0.05 1
494 . 53 LEU HB2 H 1.67 0.05 2
495 . 53 LEU HB3 H 1.11 0.05 2
496 . 53 LEU HG H 0.75 0.05 1
497 . 53 LEU HD1 H 0.58 0.05 1
498 . 53 LEU HD2 H 0.58 0.05 1
499 . 53 LEU CA C 55.95 0.50 1
500 . 53 LEU CB C 44.18 0.50 1
501 . 53 LEU CG C 26.07 0.50 1
502 . 53 LEU CD1 C 22.05 0.50 1
503 . 53 LEU CD2 C 22.05 0.50 1
504 . 53 LEU N N 116.84 0.30 1
505 . 54 GLN H H 8.14 0.05 1
506 . 54 GLN HA H 4.15 0.05 1
507 . 54 GLN HB2 H 2.11 0.05 1
508 . 54 GLN HB3 H 2.11 0.05 1
509 . 54 GLN HG2 H 2.35 0.05 1
510 . 54 GLN HG3 H 2.29 0.05 1
511 . 54 GLN HE21 H 6.81 0.05 1
512 . 54 GLN HE22 H 7.65 0.05 1
513 . 54 GLN CA C 55.85 0.50 1
514 . 54 GLN CB C 27.91 0.50 1
515 . 54 GLN CG C 33.89 0.50 1
516 . 54 GLN N N 112.67 0.30 1
517 . 54 GLN NE2 N 112.46 0.30 1
518 . 55 PRO HA H 4.53 0.05 1
519 . 55 PRO HB2 H 1.94 0.05 2
520 . 55 PRO HB3 H 1.77 0.05 2
521 . 55 PRO HG2 H 1.86 0.05 2
522 . 55 PRO HG3 H 1.70 0.05 2
523 . 55 PRO HD2 H 3.88 0.05 2
524 . 55 PRO HD3 H 3.60 0.05 2
525 . 55 PRO CA C 62.77 0.50 1
526 . 55 PRO CB C 32.45 0.50 1
527 . 55 PRO CG C 27.57 0.50 1
528 . 55 PRO CD C 50.46 0.50 1
529 . 55 PRO N N 132.05 0.30 1
530 . 56 ILE H H 8.75 0.05 1
531 . 56 ILE HA H 4.43 0.05 1
532 . 56 ILE HB H 1.98 0.05 1
533 . 56 ILE HG12 H 1.58 0.05 2
534 . 56 ILE HG13 H 1.30 0.05 2
535 . 56 ILE HG2 H 1.18 0.05 1
536 . 56 ILE HD1 H 1.03 0.05 1
537 . 56 ILE CA C 62.34 0.50 1
538 . 56 ILE CB C 39.26 0.50 1
539 . 56 ILE CG1 C 27.08 0.50 1
540 . 56 ILE CG2 C 18.74 0.50 1
541 . 56 ILE CD1 C 14.26 0.50 1
542 . 56 ILE N N 115.11 0.30 1
543 . 57 VAL H H 7.14 0.05 1
544 . 57 VAL HA H 4.88 0.05 1
545 . 57 VAL HB H 1.72 0.05 1
546 . 57 VAL HG1 H 0.77 0.05 1
547 . 57 VAL HG2 H 0.77 0.05 1
548 . 57 VAL CA C 60.05 0.50 1
549 . 57 VAL CB C 37.49 0.50 1
550 . 57 VAL CG1 C 22.51 0.50 1
551 . 57 VAL CG2 C 22.51 0.50 1
552 . 57 VAL N N 117.96 0.30 1
553 . 58 ILE H H 9.37 0.05 1
554 . 58 ILE HA H 4.80 0.05 1
555 . 58 ILE HB H 1.74 0.05 1
556 . 58 ILE HG12 H 1.50 0.05 2
557 . 58 ILE HG13 H 1.05 0.05 2
558 . 58 ILE HG2 H 0.78 0.05 1
559 . 58 ILE HD1 H 0.81 0.05 1
560 . 58 ILE CA C 59.98 0.50 1
561 . 58 ILE CB C 40.53 0.50 1
562 . 58 ILE CG1 C 28.03 0.50 1
563 . 58 ILE CG2 C 16.47 0.50 1
564 . 58 ILE CD1 C 14.74 0.50 1
565 . 58 ILE N N 126.95 0.30 1
566 . 59 LEU H H 9.36 0.05 1
567 . 59 LEU HA H 4.99 0.05 1
568 . 59 LEU HB2 H 1.93 0.05 2
569 . 59 LEU HB3 H 1.21 0.05 2
570 . 59 LEU HG H 1.51 0.05 1
571 . 59 LEU HD1 H 0.73 0.05 1
572 . 59 LEU HD2 H 0.69 0.05 1
573 . 59 LEU CA C 52.79 0.50 1
574 . 59 LEU CB C 43.31 0.50 1
575 . 59 LEU CG C 27.11 0.50 1
576 . 59 LEU CD1 C 27.11 0.50 1
577 . 59 LEU CD2 C 27.11 0.50 1
578 . 59 LEU N N 127.47 0.30 1
579 . 60 MET H H 9.01 0.05 1
580 . 60 MET HA H 5.27 0.05 1
581 . 60 MET HB2 H 2.27 0.05 2
582 . 60 MET HB3 H 1.88 0.05 2
583 . 60 MET HG2 H 3.56 0.05 2
584 . 60 MET HG3 H 2.76 0.05 2
585 . 60 MET HE H 2.18 0.05 1
586 . 60 MET CA C 53.73 0.50 1
587 . 60 MET CB C 36.76 0.50 1
588 . 60 MET CG C 31.24 0.50 1
589 . 60 MET CE C 16.68 0.50 1
590 . 60 MET N N 124.39 0.30 1
591 . 61 ALA H H 8.57 0.05 1
592 . 61 ALA HA H 4.99 0.05 1
593 . 61 ALA HB H 1.58 0.05 1
594 . 61 ALA CA C 53.19 0.50 1
595 . 61 ALA CB C 19.88 0.50 1
596 . 61 ALA N N 131.72 0.30 1
597 . 62 TRP H H 8.31 0.05 1
598 . 62 TRP HA H 4.39 0.05 1
599 . 62 TRP HB2 H 3.62 0.05 2
600 . 62 TRP HB3 H 2.66 0.05 2
601 . 62 TRP HD1 H 6.74 0.05 1
602 . 62 TRP HZ2 H 7.44 0.05 1
603 . 62 TRP HH2 H 7.01 0.05 1
604 . 62 TRP HZ3 H 6.88 0.05 1
605 . 62 TRP HE3 H 7.37 0.05 1
606 . 62 TRP CA C 55.17 0.50 1
607 . 62 TRP CB C 32.00 0.50 1
608 . 62 TRP CD1 C 126.08 0.50 1
609 . 62 TRP CZ2 C 113.82 0.50 1
610 . 62 TRP CH2 C 124.83 0.50 1
611 . 62 TRP CZ3 C 120.97 0.50 1
612 . 62 TRP CE3 C 121.22 0.50 1
613 . 62 TRP N N 118.92 0.30 1
614 . 63 PRO HA H 4.85 0.05 1
615 . 63 PRO HB2 H 2.01 0.05 2
616 . 63 PRO HB3 H 1.77 0.05 2
617 . 63 PRO HG2 H 1.78 0.05 2
618 . 63 PRO HG3 H 1.66 0.05 2
619 . 63 PRO HD2 H 3.51 0.05 2
620 . 63 PRO HD3 H 3.47 0.05 2
621 . 63 PRO CA C 60.89 0.50 1
622 . 63 PRO CB C 32.50 0.50 1
623 . 63 PRO CG C 25.70 0.50 1
624 . 63 PRO CD C 50.00 0.50 1
625 . 63 PRO N N 142.63 0.30 1
626 . 64 PRO HA H 4.91 0.05 1
627 . 64 PRO HB2 H 2.26 0.05 2
628 . 64 PRO HB3 H 2.10 0.05 2
629 . 64 PRO HG2 H 1.51 0.05 2
630 . 64 PRO HG3 H 1.50 0.05 2
631 . 64 PRO HD2 H 3.64 0.05 1
632 . 64 PRO HD3 H 3.64 0.05 1
633 . 64 PRO CA C 61.95 0.50 1
634 . 64 PRO CB C 31.73 0.50 1
635 . 64 PRO CG C 26.66 0.50 1
636 . 64 PRO CD C 50.05 0.50 1
637 . 64 PRO N N 134.05 0.30 1
638 . 65 PRO HA H 4.25 0.05 1
639 . 65 PRO HB2 H 2.34 0.05 2
640 . 65 PRO HB3 H 2.04 0.05 2
641 . 65 PRO HG2 H 1.83 0.05 1
642 . 65 PRO HG3 H 1.83 0.05 1
643 . 65 PRO HD2 H 3.76 0.05 2
644 . 65 PRO HD3 H 4.10 0.05 2
645 . 65 PRO CA C 64.58 0.50 1
646 . 65 PRO CB C 32.40 0.50 1
647 . 65 PRO CG C 27.54 0.50 1
648 . 65 PRO CD C 50.36 0.50 1
649 . 65 PRO N N 131.49 0.30 1
650 . 66 ASP H H 7.12 0.05 1
651 . 66 ASP HA H 4.76 0.05 1
652 . 66 ASP HB2 H 3.03 0.05 1
653 . 66 ASP HB3 H 3.03 0.05 1
654 . 66 ASP CA C 53.28 0.50 1
655 . 66 ASP CB C 43.41 0.50 1
656 . 66 ASP N N 109.80 0.30 1
657 . 67 GLN H H 8.92 0.05 1
658 . 67 GLN HA H 4.18 0.05 1
659 . 67 GLN HB2 H 2.20 0.05 1
660 . 67 GLN HB3 H 2.20 0.05 1
661 . 67 GLN HG2 H 2.50 0.05 1
662 . 67 GLN HG3 H 2.50 0.05 1
663 . 67 GLN HE21 H 6.80 0.05 1
664 . 67 GLN HE22 H 7.55 0.05 1
665 . 67 GLN CA C 58.09 0.50 1
666 . 67 GLN CB C 28.40 0.50 1
667 . 67 GLN CG C 33.85 0.50 1
668 . 67 GLN N N 117.75 0.30 1
669 . 67 GLN NE2 N 111.92 0.30 1
670 . 68 SER H H 8.65 0.05 1
671 . 68 SER HA H 4.27 0.05 1
672 . 68 SER HB2 H 4.03 0.05 2
673 . 68 SER HB3 H 3.86 0.05 2
674 . 68 SER CB C 61.95 0.50 1
675 . 68 SER CA C 62.90 0.50 1
676 . 68 SER N N 119.44 0.30 1
677 . 69 CYS H H 7.89 0.05 1
678 . 69 CYS HA H 4.17 0.05 1
679 . 69 CYS HB2 H 3.27 0.05 2
680 . 69 CYS HB3 H 3.34 0.05 2
681 . 69 CYS CA C 65.30 0.50 1
682 . 69 CYS CB C 28.38 0.50 1
683 . 69 CYS N N 121.25 0.30 1
684 . 70 LEU H H 7.79 0.05 1
685 . 70 LEU HA H 4.33 0.05 1
686 . 70 LEU HB2 H 2.18 0.05 2
687 . 70 LEU HB3 H 1.80 0.05 2
688 . 70 LEU HG H 1.92 0.05 1
689 . 70 LEU HD2 H 1.18 0.05 1
690 . 70 LEU HD1 H 1.18 0.05 1
691 . 70 LEU CA C 58.19 0.50 1
692 . 70 LEU CB C 40.29 0.50 1
693 . 70 LEU CG C 28.63 0.50 1
694 . 70 LEU CD1 C 25.25 0.50 1
695 . 70 LEU CD2 C 23.81 0.50 1
696 . 70 LEU N N 118.99 0.30 1
697 . 71 LEU H H 7.25 0.05 1
698 . 71 LEU HA H 4.28 0.05 1
699 . 71 LEU HB2 H 2.01 0.05 2
700 . 71 LEU HB3 H 1.71 0.05 2
701 . 71 LEU HG H 1.73 0.05 1
702 . 71 LEU HD1 H 0.95 0.05 1
703 . 71 LEU HD2 H 0.95 0.05 1
704 . 71 LEU CA C 57.59 0.50 1
705 . 71 LEU CB C 40.88 0.50 1
706 . 71 LEU CG C 27.43 0.50 1
707 . 71 LEU CD1 C 24.67 0.50 1
708 . 71 LEU CD2 C 23.09 0.50 1
709 . 71 LEU N N 121.43 0.30 1
710 . 72 LEU H H 7.67 0.05 1
711 . 72 LEU HA H 4.14 0.05 1
712 . 72 LEU HB2 H 2.21 0.05 2
713 . 72 LEU HB3 H 1.59 0.05 2
714 . 72 LEU HG H 1.59 0.05 1
715 . 72 LEU HD1 H 0.86 0.05 1
716 . 72 LEU HD2 H 0.86 0.05 1
717 . 72 LEU CA C 58.59 0.50 1
718 . 72 LEU CB C 41.02 0.50 1
719 . 72 LEU CG C 27.76 0.50 1
720 . 72 LEU CD1 C 26.43 0.50 1
721 . 72 LEU CD2 C 24.55 0.50 1
722 . 72 LEU N N 121.73 0.30 1
723 . 73 LEU H H 7.79 0.05 1
724 . 73 LEU HA H 4.07 0.05 1
725 . 73 LEU HB2 H 2.13 0.05 2
726 . 73 LEU HB3 H 1.88 0.05 2
727 . 73 LEU HG H 1.35 0.05 1
728 . 73 LEU HD1 H 0.96 0.05 1
729 . 73 LEU HD2 H 0.96 0.05 1
730 . 73 LEU CA C 58.66 0.50 1
731 . 73 LEU CB C 40.36 0.50 1
732 . 73 LEU CG C 26.97 0.50 1
733 . 73 LEU CD1 C 21.77 0.50 1
734 . 73 LEU CD2 C 21.77 0.50 1
735 . 73 LEU N N 117.18 0.30 1
736 . 74 GLN H H 8.04 0.05 1
737 . 74 GLN HA H 3.83 0.05 1
738 . 74 GLN HB2 H 2.29 0.05 1
739 . 74 GLN HB3 H 2.29 0.05 1
740 . 74 GLN HG2 H 2.36 0.05 1
741 . 74 GLN HG3 H 2.36 0.05 1
742 . 74 GLN HE21 H 6.74 0.05 1
743 . 74 GLN HE22 H 7.82 0.05 1
744 . 74 GLN CA C 59.79 0.50 1
745 . 74 GLN CB C 28.53 0.50 1
746 . 74 GLN CG C 33.28 0.50 1
747 . 74 GLN N N 120.49 0.30 1
748 . 74 GLN NE2 N 111.64 0.30 1
749 . 75 HIS H H 8.32 0.05 1
750 . 75 HIS HA H 4.33 0.05 1
751 . 75 HIS HB2 H 3.49 0.05 2
752 . 75 HIS HB3 H 3.21 0.05 2
753 . 75 HIS HD2 H 6.45 0.05 1
754 . 75 HIS CA C 60.37 0.50 1
755 . 75 HIS CB C 30.70 0.50 1
756 . 75 HIS CD2 C 118.07 0.50 1
757 . 75 HIS N N 120.45 0.30 1
758 . 76 LEU H H 8.17 0.05 1
759 . 76 LEU HA H 4.04 0.05 1
760 . 76 LEU HB2 H 1.79 0.05 2
761 . 76 LEU HB3 H 1.66 0.05 2
762 . 76 LEU HG H 2.06 0.05 1
763 . 76 LEU HD1 H 0.92 0.05 1
764 . 76 LEU HD2 H 0.83 0.05 1
765 . 76 LEU CA C 57.98 0.50 1
766 . 76 LEU CB C 40.54 0.50 1
767 . 76 LEU CG C 26.51 0.50 1
768 . 76 LEU CD1 C 22.38 0.50 1
769 . 76 LEU CD2 C 22.38 0.50 1
770 . 76 LEU N N 116.94 0.30 1
771 . 77 ARG H H 7.90 0.05 1
772 . 77 ARG HA H 4.14 0.05 1
773 . 77 ARG HB2 H 2.10 0.05 2
774 . 77 ARG HB3 H 1.79 0.05 2
775 . 77 ARG HG2 H 1.35 0.05 1
776 . 77 ARG HG3 H 1.35 0.05 1
777 . 77 ARG HD2 H 3.19 0.05 1
778 . 77 ARG HD3 H 3.19 0.05 1
779 . 77 ARG HE H 7.61 0.05 1
780 . 77 ARG CA C 60.08 0.50 1
781 . 77 ARG CB C 30.36 0.50 1
782 . 77 ARG CG C 29.00 0.50 1
783 . 77 ARG CD C 44.19 0.50 1
784 . 77 ARG N N 118.80 0.30 1
785 . 77 ARG NE N 82.38 0.30 1
786 . 78 GLU H H 8.04 0.05 1
787 . 78 GLU HA H 4.07 0.05 1
788 . 78 GLU HB2 H 2.04 0.05 2
789 . 78 GLU HB3 H 1.89 0.05 2
790 . 78 GLU HG2 H 2.47 0.05 2
791 . 78 GLU HG3 H 2.21 0.05 2
792 . 78 GLU CA C 57.93 0.50 1
793 . 78 GLU CB C 29.61 0.50 1
794 . 78 GLU CG C 36.65 0.50 1
795 . 78 GLU N N 118.16 0.30 1
796 . 79 HIS H H 7.66 0.05 1
797 . 79 HIS HA H 4.60 0.05 1
798 . 79 HIS HB2 H 3.67 0.05 2
799 . 79 HIS HB3 H 2.60 0.05 2
800 . 79 HIS HD2 H 6.83 0.05 1
801 . 79 HIS CA C 56.25 0.50 1
802 . 79 HIS CB C 27.94 0.50 1
803 . 79 HIS CD2 C 120.23 0.50 1
804 . 79 HIS N N 117.42 0.30 1
805 . 80 GLN H H 7.45 0.05 1
806 . 80 GLN HA H 4.22 0.05 1
807 . 80 GLN HB2 H 2.19 0.05 1
808 . 80 GLN HB3 H 2.19 0.05 1
809 . 80 GLN HG2 H 2.48 0.05 1
810 . 80 GLN HG3 H 2.48 0.05 1
811 . 80 GLN HE21 H 6.89 0.05 1
812 . 80 GLN HE22 H 7.50 0.05 1
813 . 80 GLN CA C 57.99 0.50 1
814 . 80 GLN CB C 28.93 0.50 1
815 . 80 GLN CG C 33.95 0.50 1
816 . 80 GLN N N 120.76 0.30 1
817 . 80 GLN NE2 N 111.90 0.30 1
818 . 81 ALA H H 8.17 0.05 1
819 . 81 ALA HA H 4.44 0.05 1
820 . 81 ALA HB H 1.37 0.05 1
821 . 81 ALA CA C 51.88 0.50 1
822 . 81 ALA CB C 18.58 0.50 1
823 . 81 ALA N N 119.76 0.30 1
824 . 82 ASP H H 7.50 0.05 1
825 . 82 ASP HA H 4.67 0.05 1
826 . 82 ASP HB2 H 2.76 0.05 1
827 . 82 ASP HB3 H 2.76 0.05 1
828 . 82 ASP CA C 53.39 0.50 1
829 . 82 ASP CB C 39.69 0.50 1
830 . 82 ASP N N 121.69 0.30 1
831 . 83 PRO HA H 4.20 0.05 1
832 . 83 PRO HB2 H 2.17 0.05 2
833 . 83 PRO HB3 H 1.57 0.05 2
834 . 83 PRO HG2 H 2.01 0.05 1
835 . 83 PRO HG3 H 2.01 0.05 1
836 . 83 PRO HD2 H 3.79 0.05 2
837 . 83 PRO HD3 H 3.63 0.05 2
838 . 83 PRO CA C 64.21 0.50 1
839 . 83 PRO CB C 32.26 0.50 1
840 . 83 PRO CG C 27.67 0.50 1
841 . 83 PRO CD C 50.22 0.50 1
842 . 83 PRO N N 133.37 0.30 1
843 . 84 HIS H H 8.64 0.05 1
844 . 84 HIS HA H 4.65 0.05 1
845 . 84 HIS HB2 H 3.22 0.05 1
846 . 84 HIS HB3 H 3.22 0.05 1
847 . 84 HIS HD2 H 7.20 0.05 1
848 . 84 HIS CA C 54.06 0.50 1
849 . 84 HIS CB C 28.79 0.50 1
850 . 84 HIS CD2 C 121.01 0.50 1
851 . 84 HIS N N 115.59 0.30 1
852 . 85 PRO HA H 4.81 0.05 1
853 . 85 PRO HB2 H 2.32 0.05 2
854 . 85 PRO HB3 H 1.93 0.05 2
855 . 85 PRO HG2 H 2.07 0.05 1
856 . 85 PRO HG3 H 2.07 0.05 1
857 . 85 PRO HD2 H 3.86 0.05 2
858 . 85 PRO HD3 H 3.51 0.05 2
859 . 85 PRO CA C 61.76 0.50 1
860 . 85 PRO CB C 31.25 0.50 1
861 . 85 PRO CG C 27.34 0.50 1
862 . 85 PRO CD C 50.05 0.50 1
863 . 85 PRO N N 140.36 0.30 1
864 . 86 PRO HA H 4.42 0.05 1
865 . 86 PRO HB2 H 2.12 0.05 2
866 . 86 PRO HB3 H 1.52 0.05 2
867 . 86 PRO HG2 H 2.02 0.05 2
868 . 86 PRO HG3 H 1.92 0.05 2
869 . 86 PRO HD2 H 3.97 0.05 2
870 . 86 PRO HD3 H 3.64 0.05 2
871 . 86 PRO CA C 62.32 0.50 1
872 . 86 PRO CB C 31.54 0.50 1
873 . 86 PRO CG C 27.60 0.50 1
874 . 86 PRO CD C 50.18 0.50 1
875 . 86 PRO N N 134.50 0.30 1
876 . 87 LEU H H 7.70 0.05 1
877 . 87 LEU HA H 4.48 0.05 1
878 . 87 LEU HB2 H 1.73 0.05 2
879 . 87 LEU HB3 H 1.40 0.05 2
880 . 87 LEU HG H 1.92 0.05 1
881 . 87 LEU HD1 H 0.94 0.05 1
882 . 87 LEU HD2 H 0.94 0.05 1
883 . 87 LEU CA C 54.49 0.50 1
884 . 87 LEU CB C 43.11 0.50 1
885 . 87 LEU CG C 26.85 0.50 1
886 . 87 LEU CD1 C 22.92 0.50 1
887 . 87 LEU CD2 C 22.92 0.50 1
888 . 87 LEU N N 121.49 0.30 1
889 . 88 VAL H H 8.86 0.05 1
890 . 88 VAL HA H 4.77 0.05 1
891 . 88 VAL HB H 1.76 0.05 1
892 . 88 VAL HG1 H 0.73 0.05 1
893 . 88 VAL HG2 H 0.16 0.05 1
894 . 88 VAL CA C 61.44 0.50 1
895 . 88 VAL CB C 34.07 0.50 1
896 . 88 VAL CG1 C 22.14 0.50 1
897 . 88 VAL CG2 C 20.44 0.50 1
898 . 88 VAL N N 121.70 0.30 1
899 . 89 LEU H H 8.87 0.05 1
900 . 89 LEU HA H 5.05 0.05 1
901 . 89 LEU HB2 H 1.31 0.05 2
902 . 89 LEU HB3 H 1.38 0.05 2
903 . 89 LEU HG H 1.59 0.05 1
904 . 89 LEU HD1 H 0.59 0.05 1
905 . 89 LEU HD2 H 0.63 0.05 1
906 . 89 LEU CA C 54.54 0.50 1
907 . 89 LEU CB C 44.47 0.50 1
908 . 89 LEU CG C 29.58 0.50 1
909 . 89 LEU CD1 C 26.69 0.50 1
910 . 89 LEU CD2 C 24.25 0.50 1
911 . 89 LEU N N 128.21 0.30 1
912 . 90 PHE H H 7.58 0.05 1
913 . 90 PHE HA H 6.09 0.05 1
914 . 90 PHE HB2 H 3.10 0.05 2
915 . 90 PHE HB3 H 2.72 0.05 2
916 . 90 PHE HD1 H 7.15 0.05 1
917 . 90 PHE HD2 H 7.15 0.05 1
918 . 90 PHE HE1 H 7.26 0.05 1
919 . 90 PHE HE2 H 7.26 0.05 1
920 . 90 PHE CA C 55.83 0.50 1
921 . 90 PHE CB C 41.22 0.50 1
922 . 90 PHE CD1 C 130.52 0.50 1
923 . 90 PHE CD2 C 130.52 0.50 1
924 . 90 PHE CE1 C 131.62 0.50 1
925 . 90 PHE CE2 C 131.62 0.50 1
926 . 90 PHE N N 118.03 0.30 1
927 . 91 LEU H H 8.61 0.05 1
928 . 91 LEU HA H 5.34 0.05 1
929 . 91 LEU HB2 H 1.88 0.05 2
930 . 91 LEU HB3 H 1.19 0.05 2
931 . 91 LEU HG H 1.50 0.05 1
932 . 91 LEU HD1 H 0.77 0.05 1
933 . 91 LEU HD2 H 0.77 0.05 1
934 . 91 LEU CA C 52.08 0.50 1
935 . 91 LEU CB C 42.68 0.50 1
936 . 91 LEU CG C 27.12 0.50 1
937 . 91 LEU CD1 C 25.76 0.50 1
938 . 91 LEU CD2 C 23.91 0.50 1
939 . 91 LEU N N 121.27 0.30 1
940 . 92 GLY H H 9.54 0.05 1
941 . 92 GLY HA2 H 5.21 0.05 2
942 . 92 GLY HA3 H 3.55 0.05 2
943 . 92 GLY CA C 45.29 0.50 1
944 . 92 GLY N N 113.48 0.30 1
945 . 93 GLU H H 8.03 0.05 1
946 . 93 GLU HA H 4.55 0.05 1
947 . 93 GLU HB2 H 2.07 0.05 2
948 . 93 GLU HB3 H 1.87 0.05 2
949 . 93 GLU HG2 H 2.37 0.05 1
950 . 93 GLU HG3 H 2.37 0.05 1
951 . 93 GLU CA C 53.61 0.50 1
952 . 93 GLU CB C 30.57 0.50 1
953 . 93 GLU CG C 36.18 0.50 1
954 . 93 GLU N N 123.23 0.30 1
955 . 94 PRO HA H 4.26 0.05 1
956 . 94 PRO HB2 H 2.07 0.05 2
957 . 94 PRO HB3 H 1.71 0.05 2
958 . 94 PRO HG2 H 1.91 0.05 2
959 . 94 PRO HG3 H 2.09 0.05 2
960 . 94 PRO HD2 H 3.85 0.05 2
961 . 94 PRO HD3 H 3.60 0.05 2
962 . 94 PRO CA C 60.40 0.50 1
963 . 94 PRO CB C 30.87 0.50 1
964 . 94 PRO CG C 27.60 0.50 1
965 . 94 PRO CD C 49.59 0.50 1
966 . 94 PRO N N 131.38 0.30 1
967 . 95 PRO HA H 3.95 0.05 1
968 . 95 PRO HB2 H 1.16 0.05 2
969 . 95 PRO HB3 H 1.10 0.05 2
970 . 95 PRO HD2 H 2.94 0.05 2
971 . 95 PRO HD3 H 2.80 0.05 2
972 . 95 PRO CA C 62.36 0.50 1
973 . 95 PRO CB C 31.71 0.50 1
974 . 95 PRO CG C 25.28 0.50 1
975 . 95 PRO CD C 49.94 0.50 1
976 . 95 PRO N N 135.89 0.30 1
977 . 96 VAL H H 7.97 0.05 1
978 . 96 VAL HA H 3.94 0.05 1
979 . 96 VAL HB H 2.17 0.05 1
980 . 96 VAL HG1 H 1.00 0.05 1
981 . 96 VAL HG2 H 0.98 0.05 1
982 . 96 VAL CA C 62.86 0.50 1
983 . 96 VAL CB C 31.95 0.50 1
984 . 96 VAL CG1 C 21.02 0.50 1
985 . 96 VAL CG2 C 21.02 0.50 1
986 . 96 VAL N N 117.24 0.30 1
987 . 97 ASP H H 7.32 0.05 1
988 . 97 ASP HA H 4.83 0.05 1
989 . 97 ASP HB2 H 2.67 0.05 1
990 . 97 ASP HB3 H 2.67 0.05 1
991 . 97 ASP CA C 51.45 0.50 1
992 . 97 ASP CB C 42.37 0.50 1
993 . 97 ASP N N 122.58 0.30 1
994 . 98 PRO HA H 4.43 0.05 1
995 . 98 PRO HB2 H 2.34 0.05 2
996 . 98 PRO HB3 H 1.95 0.05 2
997 . 98 PRO HG2 H 2.04 0.05 1
998 . 98 PRO HG3 H 2.04 0.05 1
999 . 98 PRO HD2 H 3.97 0.05 2
1000 . 98 PRO HD3 H 4.12 0.05 2
1001 . 98 PRO CA C 64.23 0.50 1
1002 . 98 PRO CB C 32.32 0.50 1
1003 . 98 PRO CG C 27.23 0.50 1
1004 . 98 PRO CD C 51.47 0.50 1
1005 . 98 PRO N N 140.87 0.30 1
1006 . 99 LEU H H 8.45 0.05 1
1007 . 99 LEU HA H 4.04 0.05 1
1008 . 99 LEU HB2 H 1.68 0.05 2
1009 . 99 LEU HB3 H 1.38 0.05 2
1010 . 99 LEU HG H 1.57 0.05 1
1011 . 99 LEU HD1 H 0.92 0.05 1
1012 . 99 LEU HD2 H 0.84 0.05 1
1013 . 99 LEU CA C 57.63 0.50 1
1014 . 99 LEU CB C 42.02 0.50 1
1015 . 99 LEU CG C 27.09 0.50 1
1016 . 99 LEU CD1 C 24.05 0.50 1
1017 . 99 LEU CD2 C 24.05 0.50 1
1018 . 99 LEU N N 120.12 0.30 1
1019 . 100 LEU H H 7.25 0.05 1
1020 . 100 LEU HA H 4.49 0.05 1
1021 . 100 LEU HB2 H 1.56 0.05 2
1022 . 100 LEU HB3 H 1.01 0.05 2
1023 . 100 LEU HG H 1.63 0.05 1
1024 . 100 LEU HD1 H 0.83 0.05 1
1025 . 100 LEU HD2 H 0.83 0.05 1
1026 . 100 LEU CA C 56.77 0.50 1
1027 . 100 LEU CB C 41.66 0.50 1
1028 . 100 LEU CG C 28.40 0.50 1
1029 . 100 LEU CD1 C 26.09 0.50 1
1030 . 100 LEU CD2 C 24.56 0.50 1
1031 . 100 LEU N N 117.47 0.30 1
1032 . 101 THR H H 7.82 0.05 1
1033 . 101 THR HB H 4.02 0.05 1
1034 . 101 THR HA H 3.59 0.05 1
1035 . 101 THR HG2 H 1.08 0.05 1
1036 . 101 THR CA C 67.10 0.50 1
1037 . 101 THR CB C 68.03 0.50 1
1038 . 101 THR CG2 C 22.97 0.50 1
1039 . 101 THR N N 113.60 0.30 1
1040 . 102 ALA H H 7.52 0.05 1
1041 . 102 ALA HA H 4.18 0.05 1
1042 . 102 ALA HB H 1.46 0.05 1
1043 . 102 ALA CA C 53.86 0.50 1
1044 . 102 ALA CB C 18.58 0.50 1
1045 . 102 ALA N N 120.04 0.30 1
1046 . 103 GLN H H 7.35 0.05 1
1047 . 103 GLN HA H 4.23 0.05 1
1048 . 103 GLN HB2 H 2.34 0.05 2
1049 . 103 GLN HB3 H 2.11 0.05 2
1050 . 103 GLN HG2 H 2.47 0.05 1
1051 . 103 GLN HG3 H 2.47 0.05 1
1052 . 103 GLN HE21 H 6.69 0.05 1
1053 . 103 GLN HE22 H 7.84 0.05 1
1054 . 103 GLN CA C 56.93 0.50 1
1055 . 103 GLN CB C 30.07 0.50 1
1056 . 103 GLN CG C 34.87 0.50 1
1057 . 103 GLN N N 116.08 0.30 1
1058 . 103 GLN NE2 N 108.00 0.30 1
1059 . 104 ALA H H 7.29 0.05 1
1060 . 104 ALA HA H 4.23 0.05 1
1061 . 104 ALA HB H 1.28 0.05 1
1062 . 104 ALA CA C 51.49 0.50 1
1063 . 104 ALA CB C 19.88 0.50 1
1064 . 104 ALA N N 121.22 0.30 1
1065 . 105 SER H H 9.57 0.05 1
1066 . 105 SER HA H 4.47 0.05 1
1067 . 105 SER HB2 H 3.94 0.05 2
1068 . 105 SER HB3 H 3.51 0.05 2
1069 . 105 SER CA C 61.28 0.50 1
1070 . 105 SER CB C 64.19 0.50 1
1071 . 105 SER N N 118.56 0.30 1
1072 . 106 ALA H H 7.43 0.05 1
1073 . 106 ALA HA H 4.43 0.05 1
1074 . 106 ALA HB H 1.27 0.05 1
1075 . 106 ALA CA C 52.10 0.50 1
1076 . 106 ALA CB C 21.87 0.50 1
1077 . 106 ALA N N 117.65 0.30 1
1078 . 107 ILE H H 8.41 0.05 1
1079 . 107 ILE HA H 4.85 0.05 1
1080 . 107 ILE HB H 1.77 0.05 1
1081 . 107 ILE HG12 H 1.13 0.05 2
1082 . 107 ILE HG13 H 1.68 0.05 2
1083 . 107 ILE HG2 H 0.67 0.05 1
1084 . 107 ILE HD1 H 0.93 0.05 1
1085 . 107 ILE CA C 61.21 0.50 1
1086 . 107 ILE CB C 40.10 0.50 1
1087 . 107 ILE CG1 C 28.69 0.50 1
1088 . 107 ILE CG2 C 17.30 0.50 1
1089 . 107 ILE CD1 C 14.52 0.50 1
1090 . 107 ILE N N 120.02 0.30 1
1091 . 108 LEU H H 9.02 0.05 1
1092 . 108 LEU HA H 4.83 0.05 1
1093 . 108 LEU HB2 H 1.63 0.05 1
1094 . 108 LEU HB3 H 1.63 0.05 1
1095 . 108 LEU HG H 1.57 0.05 1
1096 . 108 LEU HD2 H 0.84 0.05 1
1097 . 108 LEU HD1 H 0.77 0.05 1
1098 . 108 LEU CA C 53.35 0.50 1
1099 . 108 LEU CB C 43.27 0.50 1
1100 . 108 LEU CG C 28.23 0.50 1
1101 . 108 LEU CD1 C 26.05 0.50 1
1102 . 108 LEU CD2 C 24.16 0.50 1
1103 . 108 LEU N N 129.50 0.30 1
1104 . 109 SER H H 8.38 0.05 1
1105 . 109 SER HA H 4.61 0.05 1
1106 . 109 SER HB2 H 3.90 0.05 1
1107 . 109 SER HB3 H 3.90 0.05 1
1108 . 109 SER CA C 58.28 0.50 1
1109 . 109 SER CB C 64.48 0.50 1
1110 . 109 SER N N 117.06 0.30 1
1111 . 110 LYS H H 8.23 0.05 1
1112 . 110 LYS HA H 4.41 0.05 1
1113 . 110 LYS HB2 H 1.82 0.05 2
1114 . 110 LYS HB3 H 1.64 0.05 2
1115 . 110 LYS HG2 H 1.29 0.05 2
1116 . 110 LYS HG3 H 1.25 0.05 2
1117 . 110 LYS HD2 H 1.86 0.05 2
1118 . 110 LYS HD3 H 1.68 0.05 2
1119 . 110 LYS HE2 H 3.22 0.05 1
1120 . 110 LYS HE3 H 3.22 0.05 1
1121 . 110 LYS CA C 53.86 0.50 1
1122 . 110 LYS CB C 34.11 0.50 1
1123 . 110 LYS CG C 27.10 0.50 1
1124 . 110 LYS CD C 26.71 0.50 1
1125 . 110 LYS CE C 43.29 0.50 1
1126 . 110 LYS N N 117.81 0.30 1
1127 . 111 PRO HA H 4.40 0.05 1
1128 . 111 PRO HB2 H 2.39 0.05 2
1129 . 111 PRO HB3 H 2.02 0.05 2
1130 . 111 PRO HG2 H 1.96 0.05 1
1131 . 111 PRO HG3 H 1.96 0.05 1
1132 . 111 PRO HD2 H 3.55 0.05 1
1133 . 111 PRO HD3 H 3.55 0.05 1
1134 . 111 PRO CA C 62.01 0.50 1
1135 . 111 PRO CB C 34.01 0.50 1
1136 . 111 PRO CG C 25.37 0.50 1
1137 . 111 PRO CD C 50.66 0.50 1
1138 . 111 PRO N N 136.90 0.30 1
1139 . 112 LEU H H 9.21 0.05 1
1140 . 112 LEU HA H 4.31 0.05 1
1141 . 112 LEU HB2 H 1.53 0.05 2
1142 . 112 LEU HB3 H 1.25 0.05 2
1143 . 112 LEU HG H 0.84 0.05 1
1144 . 112 LEU HD1 H 0.81 0.05 1
1145 . 112 LEU HD2 H 0.81 0.05 1
1146 . 112 LEU CA C 55.41 0.50 1
1147 . 112 LEU CB C 43.12 0.50 1
1148 . 112 LEU CG C 26.37 0.50 1
1149 . 112 LEU CD1 C 25.32 0.50 1
1150 . 112 LEU CD2 C 25.32 0.50 1
1151 . 112 LEU N N 126.58 0.30 1
1152 . 113 ASP H H 8.64 0.05 1
1153 . 113 ASP HA H 5.08 0.05 1
1154 . 113 ASP HB2 H 2.90 0.05 2
1155 . 113 ASP HB3 H 2.72 0.05 2
1156 . 113 ASP CA C 50.39 0.50 1
1157 . 113 ASP CB C 41.70 0.50 1
1158 . 113 ASP N N 124.96 0.30 1
1159 . 114 PRO HA H 3.95 0.05 1
1160 . 114 PRO HB2 H 2.16 0.05 1
1161 . 114 PRO HB3 H 2.16 0.05 1
1162 . 114 PRO HG2 H 1.97 0.05 1
1163 . 114 PRO HG3 H 1.97 0.05 1
1164 . 114 PRO HD2 H 4.16 0.05 2
1165 . 114 PRO HD3 H 4.01 0.05 2
1166 . 114 PRO CA C 65.26 0.50 1
1167 . 114 PRO CB C 32.37 0.50 1
1168 . 114 PRO CG C 27.56 0.50 1
1169 . 114 PRO CD C 51.17 0.50 1
1170 . 114 PRO N N 138.14 0.30 1
1171 . 115 GLN H H 7.75 0.05 1
1172 . 115 GLN HA H 4.08 0.05 1
1173 . 115 GLN HB2 H 2.15 0.05 1
1174 . 115 GLN HB3 H 2.15 0.05 1
1175 . 115 GLN HG2 H 2.43 0.05 1
1176 . 115 GLN HG3 H 2.43 0.05 1
1177 . 115 GLN HE21 H 6.86 0.05 1
1178 . 115 GLN HE22 H 7.54 0.05 1
1179 . 115 GLN CA C 58.66 0.50 1
1180 . 115 GLN CB C 28.07 0.50 1
1181 . 115 GLN CG C 34.10 0.50 1
1182 . 115 GLN N N 116.11 0.30 1
1183 . 115 GLN NE2 N 112.45 0.30 1
1184 . 116 LEU H H 7.55 0.05 1
1185 . 116 LEU HA H 4.24 0.05 1
1186 . 116 LEU HB2 H 1.93 0.05 2
1187 . 116 LEU HB3 H 1.56 0.05 2
1188 . 116 LEU HG H 1.45 0.05 1
1189 . 116 LEU HD1 H 1.02 0.05 1
1190 . 116 LEU HD2 H 1.02 0.05 1
1191 . 116 LEU CA C 56.91 0.50 1
1192 . 116 LEU CB C 41.55 0.50 1
1193 . 116 LEU CG C 27.28 0.50 1
1194 . 116 LEU CD1 C 25.69 0.50 1
1195 . 116 LEU CD2 C 22.81 0.50 1
1196 . 116 LEU N N 122.45 0.30 1
1197 . 117 LEU H H 8.09 0.05 1
1198 . 117 LEU HA H 3.85 0.05 1
1199 . 117 LEU HB2 H 2.01 0.05 2
1200 . 117 LEU HB3 H 1.41 0.05 2
1201 . 117 LEU HG H 1.59 0.05 1
1202 . 117 LEU HD1 H 0.82 0.05 1
1203 . 117 LEU HD2 H 0.77 0.05 1
1204 . 117 LEU CA C 58.89 0.50 1
1205 . 117 LEU CB C 40.92 0.50 1
1206 . 117 LEU CG C 27.28 0.50 1
1207 . 117 LEU CD1 C 23.32 0.50 1
1208 . 117 LEU CD2 C 23.32 0.50 1
1209 . 117 LEU N N 122.71 0.30 1
1210 . 118 LEU H H 7.83 0.05 1
1211 . 118 LEU HA H 3.89 0.05 1
1212 . 118 LEU HB2 H 1.85 0.05 2
1213 . 118 LEU HB3 H 1.65 0.05 2
1214 . 118 LEU HG H 1.65 0.05 1
1215 . 118 LEU HD1 H 0.94 0.05 1
1216 . 118 LEU HD2 H 0.94 0.05 1
1217 . 118 LEU CA C 58.75 0.50 1
1218 . 118 LEU CB C 41.52 0.50 1
1219 . 118 LEU CG C 27.21 0.50 1
1220 . 118 LEU CD1 C 25.00 0.50 1
1221 . 118 LEU CD2 C 24.06 0.50 1
1222 . 118 LEU N N 118.57 0.30 1
1223 . 119 THR H H 8.60 0.05 1
1224 . 119 THR HA H 4.03 0.05 1
1225 . 119 THR HB H 4.22 0.05 1
1226 . 119 THR HG2 H 1.32 0.05 1
1227 . 119 THR CA C 66.35 0.50 1
1228 . 119 THR CB C 68.88 0.50 1
1229 . 119 THR CG2 C 21.80 0.50 1
1230 . 119 THR N N 113.63 0.30 1
1231 . 120 THR H H 8.30 0.05 1
1232 . 120 THR HA H 3.91 0.05 1
1233 . 120 THR HB H 4.27 0.05 1
1234 . 120 THR HG2 H 1.04 0.05 1
1235 . 120 THR CA C 67.13 0.50 1
1236 . 120 THR CB C 68.36 0.50 1
1237 . 120 THR CG2 C 20.50 0.50 1
1238 . 120 THR N N 119.85 0.30 1
1239 . 121 LEU H H 8.11 0.05 1
1240 . 121 LEU HA H 3.88 0.05 1
1241 . 121 LEU HB2 H 1.75 0.05 2
1242 . 121 LEU HB3 H 1.37 0.05 2
1243 . 121 LEU HG H 1.59 0.05 1
1244 . 121 LEU HD1 H 0.51 0.05 1
1245 . 121 LEU HD2 H 0.53 0.05 1
1246 . 121 LEU CA C 58.23 0.50 1
1247 . 121 LEU CB C 41.39 0.50 1
1248 . 121 LEU CG C 27.33 0.50 1
1249 . 121 LEU CD1 C 26.05 0.50 1
1250 . 121 LEU CD2 C 24.30 0.50 1
1251 . 121 LEU N N 121.84 0.30 1
1252 . 122 GLN H H 8.58 0.05 1
1253 . 122 GLN HA H 4.13 0.05 1
1254 . 122 GLN HB2 H 2.25 0.05 2
1255 . 122 GLN HB3 H 2.05 0.05 2
1256 . 122 GLN HG2 H 2.66 0.05 2
1257 . 122 GLN HG3 H 2.46 0.05 2
1258 . 122 GLN HE21 H 6.83 0.05 1
1259 . 122 GLN HE22 H 7.49 0.05 1
1260 . 122 GLN CA C 58.98 0.50 1
1261 . 122 GLN CB C 28.29 0.50 1
1262 . 122 GLN CG C 34.62 0.50 1
1263 . 122 GLN N N 117.36 0.30 1
1264 . 122 GLN NE2 N 110.44 0.30 1
1265 . 123 GLY H H 7.68 0.05 1
1266 . 123 GLY HA2 H 4.07 0.05 2
1267 . 123 GLY HA3 H 3.89 0.05 2
1268 . 123 GLY CA C 45.97 0.50 1
1269 . 123 GLY N N 104.13 0.30 1
1270 . 124 LEU H H 7.42 0.05 1
1271 . 124 LEU HA H 4.40 0.05 1
1272 . 124 LEU HB2 H 1.80 0.05 2
1273 . 124 LEU HB3 H 1.59 0.05 2
1274 . 124 LEU HG H 1.93 0.05 1
1275 . 124 LEU HD1 H 0.90 0.05 1
1276 . 124 LEU HD2 H 0.76 0.05 1
1277 . 124 LEU CA C 55.72 0.50 1
1278 . 124 LEU CB C 43.98 0.50 1
1279 . 124 LEU CG C 26.63 0.50 1
1280 . 124 LEU CD1 C 22.47 0.50 1
1281 . 124 LEU CD2 C 22.47 0.50 1
1282 . 124 LEU N N 119.28 0.30 1
1283 . 125 CYS H H 7.87 0.05 1
1284 . 125 CYS HA H 4.71 0.05 1
1285 . 125 CYS HB2 H 2.93 0.05 2
1286 . 125 CYS HB3 H 2.87 0.05 2
1287 . 125 CYS CA C 57.08 0.50 1
1288 . 125 CYS CB C 27.74 0.50 1
1289 . 125 CYS N N 117.44 0.30 1
1290 . 126 PRO HA H 4.78 0.05 1
1291 . 126 PRO HB2 H 2.40 0.05 2
1292 . 126 PRO HB3 H 1.98 0.05 2
1293 . 126 PRO HG2 H 2.07 0.05 2
1294 . 126 PRO HG3 H 1.79 0.05 2
1295 . 126 PRO HD2 H 3.63 0.05 1
1296 . 126 PRO HD3 H 3.63 0.05 1
1297 . 126 PRO CA C 61.65 0.50 1
1298 . 126 PRO CB C 30.87 0.50 1
1299 . 126 PRO CG C 27.39 0.50 1
1300 . 126 PRO CD C 50.48 0.50 1
1301 . 126 PRO N N 139.01 0.30 1
1302 . 127 PRO HA H 4.42 0.05 1
1303 . 127 PRO HB2 H 2.22 0.05 2
1304 . 127 PRO HB3 H 1.86 0.05 2
1305 . 127 PRO HG2 H 2.01 0.05 1
1306 . 127 PRO HG3 H 2.01 0.05 1
1307 . 127 PRO HD2 H 3.84 0.05 2
1308 . 127 PRO HD3 H 3.70 0.05 2
1309 . 127 PRO CA C 63.02 0.50 1
1310 . 127 PRO CB C 32.03 0.50 1
1311 . 127 PRO CG C 27.28 0.50 1
1312 . 127 PRO CD C 50.51 0.50 1
1313 . 127 PRO N N 135.27 0.30 1
1314 . 128 ASN H H 8.48 0.05 1
1315 . 128 ASN HA H 4.68 0.05 1
1316 . 128 ASN HB2 H 2.83 0.05 2
1317 . 128 ASN HB3 H 2.75 0.05 2
1318 . 128 ASN HD21 H 6.86 0.05 1
1319 . 128 ASN HD22 H 7.60 0.05 1
1320 . 128 ASN CA C 53.15 0.50 1
1321 . 128 ASN CB C 38.69 0.50 1
1322 . 128 ASN N N 118.46 0.30 1
1323 . 128 ASN ND2 N 112.69 0.30 1
1324 . 129 LEU H H 8.28 0.05 1
1325 . 129 LEU HA H 4.40 0.05 1
1326 . 129 LEU HB2 H 1.63 0.05 1
1327 . 129 LEU HB3 H 1.63 0.05 1
1328 . 129 LEU HG H 1.09 0.05 1
1329 . 129 LEU HD1 H 0.93 0.05 1
1330 . 129 LEU HD2 H 0.87 0.05 1
1331 . 129 LEU CA C 55.27 0.50 1
1332 . 129 LEU CB C 42.37 0.50 1
1333 . 129 LEU CG C 27.08 0.50 1
1334 . 129 LEU CD1 C 25.08 0.50 1
1335 . 129 LEU CD2 C 23.40 0.50 1
1336 . 129 LEU N N 123.24 0.30 1
1337 . 130 SER H H 8.38 0.05 1
1338 . 130 SER HA H 4.46 0.05 1
1339 . 130 SER HB2 H 4.06 0.05 2
1340 . 130 SER HB3 H 3.88 0.05 2
1341 . 130 SER CA C 58.41 0.50 1
1342 . 130 SER CB C 63.93 0.50 1
1343 . 130 SER N N 116.62 0.30 1
1344 . 131 GLU H H 8.45 0.05 1
1345 . 131 GLU HA H 4.29 0.05 1
1346 . 131 GLU HB2 H 2.09 0.05 2
1347 . 131 GLU HB3 H 1.97 0.05 2
1348 . 131 GLU HG2 H 2.28 0.05 1
1349 . 131 GLU HG3 H 2.28 0.05 1
1350 . 131 GLU CA C 57.08 0.50 1
1351 . 131 GLU CB C 30.32 0.50 1
1352 . 131 GLU CG C 36.34 0.50 1
1353 . 131 GLU N N 122.92 0.30 1
1354 . 132 GLY H H 8.36 0.05 1
1355 . 132 GLY HA2 H 3.96 0.05 1
1356 . 132 GLY HA3 H 3.96 0.05 1
1357 . 132 GLY CA C 45.29 0.50 1
1358 . 132 GLY N N 109.28 0.30 1
1359 . 133 ASP H H 8.20 0.05 1
1360 . 133 ASP HA H 4.62 0.05 1
1361 . 133 ASP HB2 H 2.68 0.05 2
1362 . 133 ASP HB3 H 2.60 0.05 2
1363 . 133 ASP CA C 54.34 0.50 1
1364 . 133 ASP CB C 41.34 0.50 1
1365 . 133 ASP N N 120.26 0.30 1
1366 . 134 ARG H H 8.19 0.05 1
1367 . 134 ARG HE H 7.22 0.05 1
1368 . 134 ARG HA H 4.65 0.05 1
1369 . 134 ARG HB2 H 1.86 0.05 2
1370 . 134 ARG HB3 H 1.76 0.05 2
1371 . 134 ARG HG2 H 1.68 0.05 1
1372 . 134 ARG HG3 H 1.68 0.05 1
1373 . 134 ARG HD2 H 3.22 0.05 1
1374 . 134 ARG HD3 H 3.22 0.05 1
1375 . 134 ARG CA C 54.03 0.50 1
1376 . 134 ARG CB C 30.32 0.50 1
1377 . 134 ARG CG C 26.69 0.50 1
1378 . 134 ARG CD C 43.43 0.50 1
1379 . 134 ARG N N 121.91 0.30 1
1380 . 134 ARG NE N 84.59 0.30 1
1381 . 135 PRO HA H 4.51 0.05 1
1382 . 135 PRO HB2 H 2.34 0.05 2
1383 . 135 PRO HB3 H 2.00 0.05 2
1384 . 135 PRO HG2 H 2.00 0.05 1
1385 . 135 PRO HG3 H 2.00 0.05 1
1386 . 135 PRO HD2 H 3.81 0.05 2
1387 . 135 PRO HD3 H 3.65 0.05 2
1388 . 135 PRO CA C 63.21 0.50 1
1389 . 135 PRO CB C 32.23 0.50 1
1390 . 135 PRO CG C 27.37 0.50 1
1391 . 135 PRO CD C 50.71 0.50 1
1392 . 135 PRO N N 137.93 0.30 1
1393 . 136 SER H H 8.53 0.05 1
1394 . 136 SER HA H 4.47 0.05 1
1395 . 136 SER HB2 H 3.94 0.05 2
1396 . 136 SER HB3 H 3.90 0.05 2
1397 . 136 SER CA C 58.45 0.50 1
1398 . 136 SER CB C 64.03 0.50 1
1399 . 136 SER N N 116.83 0.30 1
1400 . 137 SER H H 7.98 0.05 1
1401 . 137 SER HA H 4.28 0.05 1
1402 . 137 SER HB2 H 3.87 0.05 1
1403 . 137 SER HB3 H 3.87 0.05 1
1404 . 137 SER CA C 60.02 0.50 1
1405 . 137 SER CB C 64.88 0.50 1
1406 . 137 SER N N 122.92 0.30 1
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