data_15126
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR assignments of the mannitol- specific cryptic phosphotransferase enzyme IIA CmtB from Escherichia coli
;
_BMRB_accession_number 15126
_BMRB_flat_file_name bmr15126.str
_Entry_type original
_Submission_date 2007-02-02
_Accession_date 2007-02-02
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Jin Changwen . .
2 Yu Caifang . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 759
"13C chemical shifts" 579
"15N chemical shifts" 149
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-10-17 original author .
stop_
_Original_release_date 2007-10-17
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the cryptic mannitol-specific phosphotransferase enzyme IIA CmtB from Escherichia coli'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 17803963
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Yu Caifang . .
2 Li You . .
3 Xia Bin . .
4 Jin Changwen . .
stop_
_Journal_abbreviation 'Biochem. Biophys. Res. Commun.'
_Journal_volume 362
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 1001
_Page_last 1006
_Year 2007
_Details .
loop_
_Keyword
mannitol
NMR
phosphotransferase
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name CmtB
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
CmtB $CmtB
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic ?
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_CmtB
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common CmtB
_Molecular_mass .
_Mol_thiol_state 'all free'
loop_
_Biological_function
phosphotransferase
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 147
_Mol_residue_sequence
;
MRLSDYFPESSISVIHSAKD
WQEAIDFSMVSLLDKNYISE
NYIQAIKDSTINNGPYYILA
PGVAMPHARPECGALKTGMS
LTLLEQGVYFPGNDEPIKLL
IGLSAADADSHIGAIQALSE
LLCEEEILEQLLTASSEKQL
ADIISRG
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ARG 3 LEU 4 SER 5 ASP
6 TYR 7 PHE 8 PRO 9 GLU 10 SER
11 SER 12 ILE 13 SER 14 VAL 15 ILE
16 HIS 17 SER 18 ALA 19 LYS 20 ASP
21 TRP 22 GLN 23 GLU 24 ALA 25 ILE
26 ASP 27 PHE 28 SER 29 MET 30 VAL
31 SER 32 LEU 33 LEU 34 ASP 35 LYS
36 ASN 37 TYR 38 ILE 39 SER 40 GLU
41 ASN 42 TYR 43 ILE 44 GLN 45 ALA
46 ILE 47 LYS 48 ASP 49 SER 50 THR
51 ILE 52 ASN 53 ASN 54 GLY 55 PRO
56 TYR 57 TYR 58 ILE 59 LEU 60 ALA
61 PRO 62 GLY 63 VAL 64 ALA 65 MET
66 PRO 67 HIS 68 ALA 69 ARG 70 PRO
71 GLU 72 CYS 73 GLY 74 ALA 75 LEU
76 LYS 77 THR 78 GLY 79 MET 80 SER
81 LEU 82 THR 83 LEU 84 LEU 85 GLU
86 GLN 87 GLY 88 VAL 89 TYR 90 PHE
91 PRO 92 GLY 93 ASN 94 ASP 95 GLU
96 PRO 97 ILE 98 LYS 99 LEU 100 LEU
101 ILE 102 GLY 103 LEU 104 SER 105 ALA
106 ALA 107 ASP 108 ALA 109 ASP 110 SER
111 HIS 112 ILE 113 GLY 114 ALA 115 ILE
116 GLN 117 ALA 118 LEU 119 SER 120 GLU
121 LEU 122 LEU 123 CYS 124 GLU 125 GLU
126 GLU 127 ILE 128 LEU 129 GLU 130 GLN
131 LEU 132 LEU 133 THR 134 ALA 135 SER
136 SER 137 GLU 138 LYS 139 GLN 140 LEU
141 ALA 142 ASP 143 ILE 144 ILE 145 SER
146 ARG 147 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-09-09
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 2OQ3 "Solution Structure Of The Mannitol- Specific Cryptic Phosphotransferase Enzyme Iia Cmtb From Escherichia Coli" 100.00 150 100.00 100.00 4.29e-101
DBJ BAB37232 "mannitol-specific PTS system enzyme II component [Escherichia coli O157:H7 str. Sakai]" 100.00 147 100.00 100.00 2.20e-101
DBJ BAE76997 "predicted mannitol-specific enzyme IIA component of PTS [Escherichia coli str. K12 substr. W3110]" 100.00 147 100.00 100.00 2.20e-101
DBJ BAG78726 "PTS system mannitol-specific IIA component [Escherichia coli SE11]" 100.00 147 99.32 99.32 3.02e-100
DBJ BAI27210 "predicted mannitol-specific enzyme IIA component of PTS [Escherichia coli O26:H11 str. 11368]" 100.00 147 100.00 100.00 2.20e-101
DBJ BAI32247 "predicted mannitol-specific enzyme IIA component of PTS [Escherichia coli O103:H2 str. 12009]" 100.00 147 100.00 100.00 2.20e-101
EMBL CAA51228 "protein-N(pi)-phosphohistidine-sugar phosphotransferase [Escherichia coli K-12]" 100.00 147 100.00 100.00 2.20e-101
EMBL CAQ33244 "CmtB, subunit of CmtAB mannitol PTS permease [Escherichia coli BL21(DE3)]" 93.88 138 100.00 100.00 9.58e-95
EMBL CAQ99874 "putative mannitol-specific enzyme IIA component of PTS [Escherichia coli IAI1]" 100.00 147 99.32 99.32 3.02e-100
EMBL CAR19469 "putative mannitol-specific enzyme IIA component of PTS [Escherichia coli IAI39]" 100.00 147 100.00 100.00 2.20e-101
EMBL CAU99212 "putative mannitol-specific enzyme IIA component of PTS [Escherichia coli 55989]" 100.00 147 100.00 100.00 2.20e-101
GB AAA69101 "protein-N(pi)-phosphohistidine-sugar phosphotransferase [Escherichia coli str. K-12 substr. MG1655]" 100.00 147 100.00 100.00 2.20e-101
GB AAC75971 "putative mannitol-specific enzyme IIA component of PTS [Escherichia coli str. K-12 substr. MG1655]" 100.00 147 100.00 100.00 2.20e-101
GB AAG58064 "PTS system, mannitol-specific enzyme II component, cryptic [Escherichia coli O157:H7 str. EDL933]" 100.00 147 100.00 100.00 2.20e-101
GB AAZ89675 "PTS system, mannitol-specific enzyme II component, cryptic [Shigella sonnei Ss046]" 100.00 147 99.32 100.00 5.56e-101
GB ABB63157 "PTS system, mannitol-specific enzyme II component, cryptic [Shigella dysenteriae Sd197]" 100.00 147 98.64 98.64 6.02e-100
REF NP_311836 "mannitol phosphotransferase subunit EIIA [Escherichia coli O157:H7 str. Sakai]" 100.00 147 100.00 100.00 2.20e-101
REF NP_417409 "putative mannitol-specific enzyme IIA component of PTS [Escherichia coli str. K-12 substr. MG1655]" 100.00 147 100.00 100.00 2.20e-101
REF WP_001236697 "PTS mannitol transporter subunit IIA [Escherichia coli]" 100.00 147 98.64 98.64 1.16e-99
REF WP_001236701 "PTS mannitol transporter subunit IIA [Escherichia coli]" 100.00 147 97.96 98.64 2.85e-98
REF WP_001236702 "PTS mannitol transporter subunit IIA [Escherichia coli]" 100.00 147 97.28 97.96 1.60e-97
SP P69824 "RecName: Full=Mannitol-specific cryptic phosphotransferase enzyme IIA component; AltName: Full=EIIA-Mtl; AltName: Full=EIII-Mtl" 100.00 147 100.00 100.00 2.20e-101
SP P69825 "RecName: Full=Mannitol-specific cryptic phosphotransferase enzyme IIA component; AltName: Full=EIIA-Mtl; AltName: Full=EIII-Mtl" 100.00 147 100.00 100.00 2.20e-101
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$CmtB 'E. coli' 562 Eubacteria . Escherichia coli
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
$CmtB 'recombinant technology' . Escherichia coli . pET28a
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
$CmtB 1.0 mM '[U-13C; U-15N]'
'sodium chloride' 30 mM 'natural abundance'
'sodium phosphate' 30 mM 'natural abundance'
D2O 10 % 'natural abundance'
DSS 0.01 % 'natural abundance'
DTT 20 mM 'natural abundance'
'sodium azide' 0.01 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$CmtB 1 mM [U-15N]
'sodium chloride' 30 mM 'natural abundance'
'sodium phosphate' 30 mM 'natural abundance'
D2O 10 % 'natural abundance'
DSS 0.01 % 'natural abundance'
DTT 20 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_xwinnmr
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRView
_Saveframe_category software
_Name NMRView
_Version 5
loop_
_Vendor
_Address
_Electronic_address
'Johnson, One Moon Scientific' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_AMBER
_Saveframe_category software
_Name AMBER
_Version 7
loop_
_Vendor
_Address
_Electronic_address
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_nmr_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 500
_Details 'equipped with cryoprobe'
save_
save_nmr_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_2
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_HCCH-COSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_2
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.06 . M
pH 7.0 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144952
DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10132905
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D CBCA(CO)NH'
'3D HBHA(CO)NH'
'3D HNCACB'
'3D HCCH-TOCSY'
'3D HCCH-COSY'
'3D 1H-13C NOESY'
'3D 1H-15N NOESY'
stop_
loop_
_Sample_label
$sample_2
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name CmtB
_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 MET H H 8.302 0.03 1
2 1 1 MET HA H 4.410 0.03 1
3 1 1 MET HB2 H 1.902 0.03 2
4 1 1 MET HB3 H 1.805 0.03 2
5 1 1 MET HG2 H 2.329 0.03 2
6 1 1 MET C C 175.971 0.30 1
7 1 1 MET CA C 55.860 0.30 1
8 1 1 MET CB C 33.900 0.30 1
9 1 1 MET CG C 31.844 0.30 1
10 1 1 MET N N 123.010 0.30 1
11 2 2 ARG H H 8.748 0.03 1
12 2 2 ARG HA H 4.534 0.03 1
13 2 2 ARG HB2 H 2.018 0.03 2
14 2 2 ARG HB3 H 1.750 0.03 2
15 2 2 ARG HG2 H 1.739 0.03 2
16 2 2 ARG HD2 H 3.266 0.03 2
17 2 2 ARG C C 177.634 0.30 1
18 2 2 ARG CA C 55.250 0.30 1
19 2 2 ARG CB C 30.980 0.30 1
20 2 2 ARG CG C 26.985 0.30 1
21 2 2 ARG CD C 43.427 0.30 1
22 2 2 ARG N N 124.380 0.30 1
23 3 3 LEU H H 9.003 0.03 1
24 3 3 LEU HA H 4.275 0.03 1
25 3 3 LEU HB2 H 1.800 0.03 2
26 3 3 LEU HB3 H 1.984 0.03 2
27 3 3 LEU HG H 1.066 0.03 1
28 3 3 LEU HD1 H 0.980 0.03 2
29 3 3 LEU C C 178.959 0.30 1
30 3 3 LEU CA C 58.550 0.30 1
31 3 3 LEU CB C 41.480 0.30 1
32 3 3 LEU CG C 26.925 0.30 1
33 3 3 LEU CD1 C 23.917 0.30 1
34 3 3 LEU N N 125.550 0.30 1
35 4 4 SER H H 8.689 0.03 1
36 4 4 SER HA H 4.024 0.03 1
37 4 4 SER HB2 H 3.987 0.03 2
38 4 4 SER HB3 H 3.784 0.03 2
39 4 4 SER C C 176.597 0.30 1
40 4 4 SER CA C 61.600 0.30 1
41 4 4 SER CB C 62.574 0.30 1
42 4 4 SER N N 110.310 0.30 1
43 5 5 ASP H H 7.782 0.03 1
44 5 5 ASP HA H 4.507 0.03 1
45 5 5 ASP HB2 H 2.613 0.03 2
46 5 5 ASP HB3 H 2.771 0.03 2
47 5 5 ASP C C 177.552 0.30 1
48 5 5 ASP CA C 56.490 0.30 1
49 5 5 ASP CB C 40.950 0.30 1
50 5 5 ASP N N 121.160 0.30 1
51 6 6 TYR H H 8.006 0.03 1
52 6 6 TYR HA H 4.163 0.03 1
53 6 6 TYR HB2 H 2.498 0.03 2
54 6 6 TYR HB3 H 2.866 0.03 2
55 6 6 TYR HD1 H 7.175 0.03 3
56 6 6 TYR C C 175.502 0.30 1
57 6 6 TYR CA C 60.980 0.30 1
58 6 6 TYR CB C 39.310 0.30 1
59 6 6 TYR CD1 C 133.244 0.30 3
60 6 6 TYR N N 116.850 0.30 1
61 7 7 PHE H H 7.265 0.03 1
62 7 7 PHE HA H 5.177 0.03 1
63 7 7 PHE HB2 H 2.971 0.03 2
64 7 7 PHE HD1 H 7.237 0.03 3
65 7 7 PHE CA C 55.450 0.30 1
66 7 7 PHE CB C 39.270 0.30 1
67 7 7 PHE CD1 C 132.666 0.30 3
68 7 7 PHE N N 120.280 0.30 1
69 8 8 PRO HA H 4.684 0.03 1
70 8 8 PRO HB2 H 2.457 0.03 2
71 8 8 PRO HB3 H 1.937 0.03 2
72 8 8 PRO HG2 H 1.411 0.03 2
73 8 8 PRO HD2 H 4.216 0.03 2
74 8 8 PRO HD3 H 3.907 0.03 2
75 8 8 PRO C C 177.111 0.30 1
76 8 8 PRO CA C 61.490 0.30 1
77 8 8 PRO CB C 32.812 0.30 1
78 8 8 PRO CG C 26.644 0.30 1
79 8 8 PRO CD C 50.831 0.30 1
80 9 9 GLU H H 8.848 0.03 1
81 9 9 GLU HA H 4.131 0.03 1
82 9 9 GLU HB2 H 2.038 0.03 2
83 9 9 GLU HG2 H 2.402 0.03 2
84 9 9 GLU C C 176.583 0.30 1
85 9 9 GLU CA C 58.440 0.30 1
86 9 9 GLU CB C 29.910 0.30 1
87 9 9 GLU CG C 36.365 0.30 1
88 9 9 GLU N N 123.070 0.30 1
89 10 10 SER H H 8.682 0.03 1
90 10 10 SER HA H 4.332 0.03 1
91 10 10 SER HB2 H 4.082 0.03 2
92 10 10 SER C C 174.672 0.30 1
93 10 10 SER CA C 60.040 0.30 1
94 10 10 SER CB C 62.140 0.30 1
95 10 10 SER N N 115.310 0.30 1
96 11 11 SER H H 8.059 0.03 1
97 11 11 SER HA H 4.538 0.03 1
98 11 11 SER HB2 H 3.536 0.03 2
99 11 11 SER HB3 H 4.192 0.03 2
100 11 11 SER C C 174.422 0.30 1
101 11 11 SER CA C 59.330 0.30 1
102 11 11 SER CB C 64.770 0.30 1
103 11 11 SER N N 114.450 0.30 1
104 12 12 ILE H H 7.791 0.03 1
105 12 12 ILE HA H 5.456 0.03 1
106 12 12 ILE HB H 1.777 0.03 1
107 12 12 ILE HG12 H 0.747 0.03 1
108 12 12 ILE HG2 H 0.817 0.03 1
109 12 12 ILE HD1 H 0.551 0.03 1
110 12 12 ILE C C 175.750 0.30 1
111 12 12 ILE CA C 60.750 0.30 1
112 12 12 ILE CB C 39.200 0.30 1
113 12 12 ILE CG1 C 27.446 0.30 1
114 12 12 ILE CG2 C 19.173 0.30 1
115 12 12 ILE CD1 C 13.116 0.30 1
116 12 12 ILE N N 126.470 0.30 1
117 13 13 SER H H 8.939 0.03 1
118 13 13 SER HA H 4.965 0.03 1
119 13 13 SER HB2 H 3.639 0.03 2
120 13 13 SER HB3 H 3.760 0.03 2
121 13 13 SER CA C 57.910 0.30 1
122 13 13 SER CB C 67.020 0.30 1
123 13 13 SER N N 121.300 0.30 1
124 14 14 VAL H H 8.361 0.03 1
125 14 14 VAL HA H 4.958 0.03 1
126 14 14 VAL HB H 1.861 0.03 1
127 14 14 VAL HG1 H 0.746 0.03 2
128 14 14 VAL HG2 H 0.681 0.03 2
129 14 14 VAL CA C 61.520 0.30 1
130 14 14 VAL CB C 33.103 0.30 1
131 14 14 VAL CG1 C 20.663 0.30 1
132 14 14 VAL CG2 C 21.617 0.30 1
133 14 14 VAL N N 122.620 0.30 1
134 15 15 ILE H H 9.159 0.03 1
135 15 15 ILE HA H 4.410 0.03 1
136 15 15 ILE HB H 1.399 0.03 1
137 15 15 ILE HG12 H 0.802 0.03 1
138 15 15 ILE HG13 H 1.048 0.03 1
139 15 15 ILE HG2 H 0.615 0.03 1
140 15 15 ILE HD1 H 0.243 0.03 1
141 15 15 ILE C C 175.506 0.30 1
142 15 15 ILE CA C 58.810 0.30 1
143 15 15 ILE CB C 41.496 0.30 1
144 15 15 ILE CG1 C 27.130 0.30 1
145 15 15 ILE CG2 C 17.679 0.30 1
146 15 15 ILE CD1 C 12.755 0.30 1
147 15 15 ILE N N 128.380 0.30 1
148 16 16 HIS H H 8.885 0.03 1
149 16 16 HIS HA H 4.436 0.03 1
150 16 16 HIS HB2 H 3.296 0.03 2
151 16 16 HIS CA C 60.240 0.30 1
152 16 16 HIS CB C 29.260 0.30 1
153 16 16 HIS N N 124.180 0.30 1
154 17 17 SER H H 7.376 0.03 1
155 17 17 SER HA H 4.609 0.03 1
156 17 17 SER HB2 H 3.669 0.03 2
157 17 17 SER HB3 H 3.860 0.03 2
158 17 17 SER C C 171.396 0.30 1
159 17 17 SER CA C 57.330 0.30 1
160 17 17 SER CB C 64.810 0.30 1
161 17 17 SER N N 106.380 0.30 1
162 18 18 ALA H H 9.294 0.03 1
163 18 18 ALA HA H 5.018 0.03 1
164 18 18 ALA HB H 1.323 0.03 1
165 18 18 ALA C C 177.044 0.30 1
166 18 18 ALA CA C 50.070 0.30 1
167 18 18 ALA CB C 22.520 0.30 1
168 18 18 ALA N N 122.470 0.30 1
169 19 19 LYS H H 9.761 0.03 1
170 19 19 LYS HA H 3.942 0.03 1
171 19 19 LYS HB2 H 1.576 0.03 2
172 19 19 LYS HB3 H 1.750 0.03 2
173 19 19 LYS HG2 H 1.446 0.03 2
174 19 19 LYS HG3 H 1.311 0.03 2
175 19 19 LYS HD2 H 1.628 0.03 2
176 19 19 LYS HE2 H 2.945 0.03 2
177 19 19 LYS C C 176.402 0.30 1
178 19 19 LYS CA C 59.110 0.30 1
179 19 19 LYS CB C 33.180 0.30 1
180 19 19 LYS CG C 24.743 0.30 1
181 19 19 LYS CD C 29.483 0.30 1
182 19 19 LYS CE C 42.103 0.30 1
183 19 19 LYS N N 122.650 0.30 1
184 20 20 ASP H H 7.350 0.03 1
185 20 20 ASP HA H 4.469 0.03 1
186 20 20 ASP HB2 H 3.088 0.03 2
187 20 20 ASP HB3 H 2.826 0.03 2
188 20 20 ASP C C 176.438 0.30 1
189 20 20 ASP CA C 52.320 0.30 1
190 20 20 ASP CB C 41.970 0.30 1
191 20 20 ASP N N 111.650 0.30 1
192 21 21 TRP H H 8.353 0.03 1
193 21 21 TRP HA H 3.614 0.03 1
194 21 21 TRP HB2 H 1.437 0.03 2
195 21 21 TRP HB3 H 2.567 0.03 2
196 21 21 TRP HD1 H 7.495 0.03 1
197 21 21 TRP HE1 H 10.386 0.03 1
198 21 21 TRP C C 176.592 0.30 1
199 21 21 TRP CA C 59.110 0.30 1
200 21 21 TRP CB C 25.160 0.30 1
201 21 21 TRP CD1 C 127.562 0.30 1
202 21 21 TRP N N 119.040 0.30 1
203 21 21 TRP NE1 N 131.845 0.30 1
204 22 22 GLN H H 6.910 0.03 1
205 22 22 GLN HA H 2.981 0.03 1
206 22 22 GLN HB2 H 1.380 0.03 2
207 22 22 GLN HB3 H 1.511 0.03 2
208 22 22 GLN HG2 H 0.093 0.03 2
209 22 22 GLN HG3 H 0.367 0.03 2
210 22 22 GLN C C 177.509 0.30 1
211 22 22 GLN CA C 61.460 0.30 1
212 22 22 GLN CB C 26.600 0.30 1
213 22 22 GLN CG C 33.327 0.30 1
214 22 22 GLN N N 122.500 0.30 1
215 23 23 GLU H H 7.938 0.03 1
216 23 23 GLU HA H 3.799 0.03 1
217 23 23 GLU HB2 H 1.860 0.03 2
218 23 23 GLU HG2 H 1.847 0.03 2
219 23 23 GLU HG3 H 1.536 0.03 2
220 23 23 GLU C C 177.486 0.30 1
221 23 23 GLU CA C 58.620 0.30 1
222 23 23 GLU CB C 29.430 0.30 1
223 23 23 GLU CG C 38.683 0.30 1
224 23 23 GLU N N 121.440 0.30 1
225 24 24 ALA H H 7.745 0.03 1
226 24 24 ALA HA H 3.938 0.03 1
227 24 24 ALA HB H 1.615 0.03 1
228 24 24 ALA C C 179.413 0.30 1
229 24 24 ALA CA C 55.790 0.30 1
230 24 24 ALA CB C 18.160 0.30 1
231 24 24 ALA N N 120.130 0.30 1
232 25 25 ILE H H 7.967 0.03 1
233 25 25 ILE HA H 3.724 0.03 1
234 25 25 ILE HB H 2.278 0.03 1
235 25 25 ILE HG12 H 1.887 0.03 1
236 25 25 ILE HG2 H 0.819 0.03 1
237 25 25 ILE HD1 H 1.102 0.03 1
238 25 25 ILE C C 178.998 0.30 1
239 25 25 ILE CA C 63.580 0.30 1
240 25 25 ILE CB C 35.350 0.30 1
241 25 25 ILE CG1 C 28.329 0.30 1
242 25 25 ILE CG2 C 18.303 0.30 1
243 25 25 ILE CD1 C 11.741 0.30 1
244 25 25 ILE N N 118.040 0.30 1
245 26 26 ASP H H 7.944 0.03 1
246 26 26 ASP HA H 4.153 0.03 1
247 26 26 ASP HB2 H 2.930 0.03 2
248 26 26 ASP HB3 H 2.528 0.03 2
249 26 26 ASP C C 179.793 0.30 1
250 26 26 ASP CA C 59.080 0.30 1
251 26 26 ASP CB C 39.150 0.30 1
252 26 26 ASP N N 123.930 0.30 1
253 27 27 PHE H H 8.788 0.03 1
254 27 27 PHE HA H 4.595 0.03 1
255 27 27 PHE HB2 H 3.181 0.03 2
256 27 27 PHE HB3 H 3.250 0.03 2
257 27 27 PHE HD1 H 7.073 0.03 3
258 27 27 PHE HD2 H 7.432 0.03 3
259 27 27 PHE C C 178.855 0.30 1
260 27 27 PHE CA C 58.620 0.30 1
261 27 27 PHE CB C 37.740 0.30 1
262 27 27 PHE CD1 C 129.921 0.30 3
263 27 27 PHE CD2 C 131.856 0.30 3
264 27 27 PHE N N 119.400 0.30 1
265 28 28 SER H H 8.312 0.03 1
266 28 28 SER HA H 4.584 0.03 1
267 28 28 SER HB2 H 3.849 0.03 2
268 28 28 SER HB3 H 3.929 0.03 2
269 28 28 SER C C 176.122 0.30 1
270 28 28 SER CA C 60.500 0.30 1
271 28 28 SER CB C 64.450 0.30 1
272 28 28 SER N N 115.770 0.30 1
273 29 29 MET H H 7.748 0.03 1
274 29 29 MET HA H 5.055 0.03 1
275 29 29 MET HB2 H 1.961 0.03 2
276 29 29 MET HB3 H 1.892 0.03 2
277 29 29 MET HG2 H 2.517 0.03 2
278 29 29 MET HG3 H 2.786 0.03 2
279 29 29 MET HE H 1.987 0.03 1
280 29 29 MET CA C 53.990 0.30 1
281 29 29 MET CB C 35.530 0.30 1
282 29 29 MET CG C 33.992 0.30 1
283 29 29 MET CE C 20.291 0.30 1
284 29 29 MET N N 119.460 0.30 1
285 30 30 VAL H H 7.892 0.03 1
286 30 30 VAL HA H 3.836 0.03 1
287 30 30 VAL HB H 2.289 0.03 1
288 30 30 VAL HG1 H 1.152 0.03 2
289 30 30 VAL HG2 H 1.160 0.03 2
290 30 30 VAL C C 176.696 0.30 1
291 30 30 VAL CA C 67.090 0.30 1
292 30 30 VAL CB C 31.410 0.30 1
293 30 30 VAL CG1 C 22.400 0.30 1
294 30 30 VAL CG2 C 20.130 0.30 1
295 30 30 VAL N N 123.270 0.30 1
296 31 31 SER H H 8.084 0.03 1
297 31 31 SER HA H 4.241 0.03 1
298 31 31 SER HB2 H 3.850 0.03 2
299 31 31 SER HB3 H 3.575 0.03 2
300 31 31 SER C C 176.492 0.30 1
301 31 31 SER CA C 61.220 0.30 1
302 31 31 SER CB C 62.680 0.30 1
303 31 31 SER N N 116.020 0.30 1
304 32 32 LEU H H 6.797 0.03 1
305 32 32 LEU HA H 3.883 0.03 1
306 32 32 LEU HB2 H 1.245 0.03 2
307 32 32 LEU HB3 H 1.963 0.03 2
308 32 32 LEU HG H 1.472 0.03 1
309 32 32 LEU HD1 H 0.727 0.03 2
310 32 32 LEU HD2 H 0.124 0.03 2
311 32 32 LEU CA C 56.772 0.30 1
312 32 32 LEU CB C 41.180 0.30 1
313 32 32 LEU CG C 27.250 0.30 1
314 32 32 LEU CD1 C 24.940 0.30 1
315 32 32 LEU CD2 C 20.936 0.30 1
316 32 32 LEU N N 120.670 0.30 1
317 33 33 LEU H H 8.530 0.03 1
318 33 33 LEU HA H 4.217 0.03 1
319 33 33 LEU HB2 H 2.114 0.03 2
320 33 33 LEU HB3 H 1.342 0.03 2
321 33 33 LEU HG H 0.951 0.03 1
322 33 33 LEU HD1 H 0.909 0.03 2
323 33 33 LEU HD2 H 1.626 0.03 2
324 33 33 LEU C C 180.794 0.30 1
325 33 33 LEU CA C 58.350 0.30 1
326 33 33 LEU CB C 42.340 0.30 1
327 33 33 LEU CG C 26.090 0.30 1
328 33 33 LEU CD1 C 23.410 0.30 1
329 33 33 LEU N N 124.410 0.30 1
330 34 34 ASP H H 8.793 0.03 1
331 34 34 ASP HA H 4.398 0.03 1
332 34 34 ASP HB2 H 2.859 0.03 2
333 34 34 ASP HB3 H 2.671 0.03 2
334 34 34 ASP C C 177.787 0.30 1
335 34 34 ASP CA C 57.510 0.30 1
336 34 34 ASP CB C 41.400 0.30 1
337 34 34 ASP N N 121.560 0.30 1
338 35 35 LYS H H 7.208 0.03 1
339 35 35 LYS HA H 4.536 0.03 1
340 35 35 LYS HB2 H 1.756 0.03 2
341 35 35 LYS HB3 H 2.419 0.03 2
342 35 35 LYS HG2 H 1.610 0.03 2
343 35 35 LYS HD2 H 1.601 0.03 2
344 35 35 LYS HD3 H 1.785 0.03 2
345 35 35 LYS HE2 H 3.101 0.03 2
346 35 35 LYS C C 175.361 0.30 1
347 35 35 LYS CA C 55.160 0.30 1
348 35 35 LYS CB C 32.570 0.30 1
349 35 35 LYS CG C 25.831 0.30 1
350 35 35 LYS CD C 28.909 0.30 1
351 35 35 LYS CE C 42.623 0.30 1
352 35 35 LYS N N 114.360 0.30 1
353 36 36 ASN H H 8.321 0.03 1
354 36 36 ASN HA H 4.422 0.03 1
355 36 36 ASN HB2 H 2.899 0.03 2
356 36 36 ASN HB3 H 2.976 0.03 2
357 36 36 ASN HD21 H 7.539 0.03 2
358 36 36 ASN HD22 H 6.858 0.03 2
359 36 36 ASN C C 174.303 0.30 1
360 36 36 ASN CA C 55.310 0.30 1
361 36 36 ASN CB C 36.840 0.30 1
362 36 36 ASN N N 114.400 0.30 1
363 36 36 ASN ND2 N 112.499 0.30 1
364 37 37 TYR H H 9.286 0.03 1
365 37 37 TYR HA H 4.167 0.03 1
366 37 37 TYR HB2 H 2.967 0.03 2
367 37 37 TYR HB3 H 3.076 0.03 2
368 37 37 TYR HD1 H 6.872 0.03 3
369 37 37 TYR HD2 H 6.861 0.03 3
370 37 37 TYR C C 175.743 0.30 1
371 37 37 TYR CA C 59.850 0.30 1
372 37 37 TYR CB C 38.460 0.30 1
373 37 37 TYR CD1 C 132.937 0.30 3
374 37 37 TYR CD2 C 118.192 0.30 3
375 37 37 TYR N N 115.750 0.30 1
376 38 38 ILE H H 7.088 0.03 1
377 38 38 ILE HA H 5.177 0.03 1
378 38 38 ILE HB H 1.890 0.03 1
379 38 38 ILE HG12 H 1.204 0.03 1
380 38 38 ILE HG13 H 0.490 0.03 1
381 38 38 ILE HG2 H 0.524 0.03 1
382 38 38 ILE HD1 H 1.068 0.03 1
383 38 38 ILE C C 174.296 0.30 1
384 38 38 ILE CA C 58.140 0.30 1
385 38 38 ILE CB C 42.420 0.30 1
386 38 38 ILE CG1 C 24.583 0.30 1
387 38 38 ILE CG2 C 19.153 0.30 1
388 38 38 ILE CD1 C 16.536 0.30 1
389 38 38 ILE N N 108.590 0.30 1
390 39 39 SER H H 8.439 0.03 1
391 39 39 SER HA H 4.850 0.03 1
392 39 39 SER HB2 H 4.431 0.03 2
393 39 39 SER HB3 H 3.909 0.03 2
394 39 39 SER C C 175.817 0.30 1
395 39 39 SER CA C 55.830 0.30 1
396 39 39 SER CB C 66.720 0.30 1
397 39 39 SER N N 115.520 0.30 1
398 40 40 GLU H H 9.337 0.03 1
399 40 40 GLU HA H 3.967 0.03 1
400 40 40 GLU HB2 H 2.415 0.03 2
401 40 40 GLU HB3 H 2.124 0.03 2
402 40 40 GLU HG2 H 2.126 0.03 2
403 40 40 GLU HG3 H 2.415 0.03 2
404 40 40 GLU CA C 60.380 0.30 1
405 40 40 GLU CB C 29.275 0.30 1
406 40 40 GLU CG C 37.321 0.30 1
407 40 40 GLU N N 120.550 0.30 1
408 41 41 ASN H H 8.420 0.03 1
409 41 41 ASN HA H 4.445 0.03 1
410 41 41 ASN HB2 H 2.921 0.03 2
411 41 41 ASN HB3 H 2.806 0.03 2
412 41 41 ASN HD21 H 7.802 0.03 2
413 41 41 ASN HD22 H 7.139 0.03 2
414 41 41 ASN C C 176.368 0.30 1
415 41 41 ASN CA C 56.190 0.30 1
416 41 41 ASN CB C 38.170 0.30 1
417 41 41 ASN N N 118.600 0.30 1
418 41 41 ASN ND2 N 115.175 0.30 1
419 42 42 TYR H H 7.799 0.03 1
420 42 42 TYR HA H 3.887 0.03 1
421 42 42 TYR HB2 H 3.022 0.03 2
422 42 42 TYR HB3 H 3.287 0.03 2
423 42 42 TYR HD1 H 6.817 0.03 3
424 42 42 TYR C C 176.157 0.30 1
425 42 42 TYR CA C 62.220 0.30 1
426 42 42 TYR CB C 40.700 0.30 1
427 42 42 TYR CD1 C 133.868 0.30 3
428 42 42 TYR N N 124.180 0.30 1
429 43 43 ILE H H 6.944 0.03 1
430 43 43 ILE HA H 3.316 0.03 1
431 43 43 ILE HB H 2.019 0.03 1
432 43 43 ILE HG12 H 1.976 0.03 1
433 43 43 ILE HG13 H 0.703 0.03 1
434 43 43 ILE HG2 H 0.909 0.03 1
435 43 43 ILE HD1 H 1.058 0.03 1
436 43 43 ILE C C 178.281 0.30 1
437 43 43 ILE CA C 65.770 0.30 1
438 43 43 ILE CB C 38.210 0.30 1
439 43 43 ILE CG1 C 29.649 0.30 1
440 43 43 ILE CG2 C 17.701 0.30 1
441 43 43 ILE CD1 C 15.243 0.30 1
442 43 43 ILE N N 115.460 0.30 1
443 44 44 GLN H H 7.177 0.03 1
444 44 44 GLN HA H 3.768 0.03 1
445 44 44 GLN HB2 H 2.171 0.03 2
446 44 44 GLN HB3 H 2.108 0.03 2
447 44 44 GLN HG2 H 2.519 0.03 2
448 44 44 GLN HG3 H 2.453 0.03 2
449 44 44 GLN HE21 H 8.129 0.03 2
450 44 44 GLN HE22 H 7.032 0.03 2
451 44 44 GLN C C 177.519 0.30 1
452 44 44 GLN CA C 58.140 0.30 1
453 44 44 GLN CB C 28.130 0.30 1
454 44 44 GLN CG C 33.102 0.30 1
455 44 44 GLN N N 118.900 0.30 1
456 44 44 GLN NE2 N 118.054 0.30 1
457 45 45 ALA H H 8.299 0.03 1
458 45 45 ALA HA H 4.304 0.03 1
459 45 45 ALA HB H 1.549 0.03 1
460 45 45 ALA C C 181.306 0.30 1
461 45 45 ALA CA C 55.300 0.30 1
462 45 45 ALA CB C 17.980 0.30 1
463 45 45 ALA N N 121.970 0.30 1
464 46 46 ILE H H 7.571 0.03 1
465 46 46 ILE HA H 3.824 0.03 1
466 46 46 ILE HB H 1.895 0.03 1
467 46 46 ILE HG12 H 0.268 0.03 1
468 46 46 ILE HG13 H 1.758 0.03 1
469 46 46 ILE HG2 H 0.772 0.03 1
470 46 46 ILE HD1 H 0.565 0.03 1
471 46 46 ILE C C 180.771 0.30 1
472 46 46 ILE CA C 65.530 0.30 1
473 46 46 ILE CB C 38.930 0.30 1
474 46 46 ILE CG1 C 27.605 0.30 1
475 46 46 ILE CG2 C 17.728 0.30 1
476 46 46 ILE CD1 C 14.708 0.30 1
477 46 46 ILE N N 119.140 0.30 1
478 47 47 LYS H H 7.783 0.03 1
479 47 47 LYS HA H 4.233 0.03 1
480 47 47 LYS HB2 H 2.032 0.03 2
481 47 47 LYS HB3 H 2.075 0.03 2
482 47 47 LYS HG2 H 1.098 0.03 2
483 47 47 LYS HG3 H 1.641 0.03 2
484 47 47 LYS HD2 H 1.683 0.03 2
485 47 47 LYS HD3 H 1.395 0.03 2
486 47 47 LYS HE2 H 2.675 0.03 2
487 47 47 LYS HE3 H 2.444 0.03 2
488 47 47 LYS C C 178.032 0.30 1
489 47 47 LYS CA C 61.760 0.30 1
490 47 47 LYS CB C 32.680 0.30 1
491 47 47 LYS CG C 27.510 0.30 1
492 47 47 LYS CD C 30.307 0.30 1
493 47 47 LYS CE C 42.099 0.30 1
494 47 47 LYS N N 123.810 0.30 1
495 48 48 ASP H H 9.314 0.03 1
496 48 48 ASP HA H 4.471 0.03 1
497 48 48 ASP HB2 H 2.764 0.03 2
498 48 48 ASP HB3 H 2.711 0.03 2
499 48 48 ASP C C 179.393 0.30 1
500 48 48 ASP CA C 57.990 0.30 1
501 48 48 ASP CB C 40.300 0.30 1
502 48 48 ASP N N 121.020 0.30 1
503 49 49 SER H H 8.539 0.03 1
504 49 49 SER HA H 4.398 0.03 1
505 49 49 SER HB2 H 4.326 0.03 2
506 49 49 SER HB3 H 4.094 0.03 2
507 49 49 SER C C 176.727 0.30 1
508 49 49 SER CA C 62.160 0.30 1
509 49 49 SER CB C 63.560 0.30 1
510 49 49 SER N N 115.170 0.30 1
511 50 50 THR H H 8.227 0.03 1
512 50 50 THR HA H 3.973 0.03 1
513 50 50 THR HB H 4.709 0.03 1
514 50 50 THR HG2 H 0.333 0.03 1
515 50 50 THR C C 176.422 0.30 1
516 50 50 THR CA C 66.840 0.30 1
517 50 50 THR CB C 68.600 0.30 1
518 50 50 THR CG2 C 19.516 0.30 1
519 50 50 THR N N 119.660 0.30 1
520 51 51 ILE H H 8.248 0.03 1
521 51 51 ILE HA H 3.719 0.03 1
522 51 51 ILE HB H 2.078 0.03 1
523 51 51 ILE HG12 H 1.487 0.03 1
524 51 51 ILE HG2 H 1.016 0.03 1
525 51 51 ILE HD1 H 1.053 0.03 1
526 51 51 ILE C C 177.534 0.30 1
527 51 51 ILE CA C 64.960 0.30 1
528 51 51 ILE CB C 38.400 0.30 1
529 51 51 ILE CG1 C 29.865 0.30 1
530 51 51 ILE CG2 C 17.119 0.30 1
531 51 51 ILE CD1 C 13.210 0.30 1
532 51 51 ILE N N 123.910 0.30 1
533 52 52 ASN H H 8.054 0.03 1
534 52 52 ASN HA H 4.569 0.03 1
535 52 52 ASN HB2 H 2.766 0.03 2
536 52 52 ASN HD21 H 7.477 0.03 2
537 52 52 ASN HD22 H 6.986 0.03 2
538 52 52 ASN C C 176.693 0.30 1
539 52 52 ASN CA C 56.180 0.30 1
540 52 52 ASN CB C 39.400 0.30 1
541 52 52 ASN N N 116.580 0.30 1
542 52 52 ASN ND2 N 113.689 0.30 1
543 53 53 ASN H H 8.439 0.03 1
544 53 53 ASN HA H 5.011 0.03 1
545 53 53 ASN HB2 H 2.893 0.03 2
546 53 53 ASN HB3 H 2.939 0.03 2
547 53 53 ASN HD21 H 7.370 0.03 2
548 53 53 ASN HD22 H 6.947 0.03 2
549 53 53 ASN C C 176.137 0.30 1
550 53 53 ASN CA C 53.860 0.30 1
551 53 53 ASN CB C 41.120 0.30 1
552 53 53 ASN N N 115.050 0.30 1
553 53 53 ASN ND2 N 114.173 0.30 1
554 54 54 GLY H H 7.666 0.03 1
555 54 54 GLY HA2 H 3.897 0.03 2
556 54 54 GLY HA3 H 4.353 0.03 2
557 54 54 GLY CA C 44.570 0.30 1
558 54 54 GLY N N 110.780 0.30 1
559 55 55 PRO HA H 3.688 0.03 1
560 55 55 PRO HB2 H 1.418 0.03 2
561 55 55 PRO HG2 H 1.780 0.03 2
562 55 55 PRO HG3 H 2.121 0.03 2
563 55 55 PRO HD2 H 3.614 0.03 2
564 55 55 PRO HD3 H 3.366 0.03 2
565 55 55 PRO C C 175.796 0.30 1
566 55 55 PRO CA C 63.440 0.30 1
567 55 55 PRO CB C 29.775 0.30 1
568 55 55 PRO CG C 28.272 0.30 1
569 55 55 PRO CD C 49.323 0.30 1
570 56 56 TYR H H 6.371 0.03 1
571 56 56 TYR HA H 4.699 0.03 1
572 56 56 TYR HB2 H 2.814 0.03 2
573 56 56 TYR HB3 H 3.424 0.03 2
574 56 56 TYR HD1 H 7.276 0.03 3
575 56 56 TYR CA C 56.000 0.30 1
576 56 56 TYR CB C 36.610 0.30 1
577 56 56 TYR CD1 C 134.740 0.30 3
578 56 56 TYR N N 121.250 0.30 1
579 57 57 TYR H H 5.481 0.03 1
580 57 57 TYR HA H 4.926 0.03 1
581 57 57 TYR HB2 H 2.079 0.03 2
582 57 57 TYR HB3 H 3.801 0.03 2
583 57 57 TYR HD1 H 7.939 0.03 3
584 57 57 TYR C C 174.939 0.30 1
585 57 57 TYR CA C 55.270 0.30 1
586 57 57 TYR CB C 37.230 0.30 1
587 57 57 TYR CD1 C 138.647 0.30 3
588 57 57 TYR N N 115.490 0.30 1
589 58 58 ILE H H 8.118 0.03 1
590 58 58 ILE HA H 4.321 0.03 1
591 58 58 ILE HB H 1.904 0.03 1
592 58 58 ILE HG12 H 1.157 0.03 1
593 58 58 ILE HG2 H 0.754 0.03 1
594 58 58 ILE HD1 H 0.386 0.03 1
595 58 58 ILE C C 176.123 0.30 1
596 58 58 ILE CA C 61.520 0.30 1
597 58 58 ILE CB C 35.150 0.30 1
598 58 58 ILE CG1 C 27.147 0.30 1
599 58 58 ILE CG2 C 16.975 0.30 1
600 58 58 ILE CD1 C 10.725 0.30 1
601 58 58 ILE N N 126.330 0.30 1
602 59 59 LEU H H 8.181 0.03 1
603 59 59 LEU HA H 4.256 0.03 1
604 59 59 LEU HB2 H 1.366 0.03 2
605 59 59 LEU HB3 H 1.489 0.03 2
606 59 59 LEU HD1 H 0.802 0.03 2
607 59 59 LEU HD2 H 0.898 0.03 2
608 59 59 LEU C C 176.092 0.30 1
609 59 59 LEU CA C 56.050 0.30 1
610 59 59 LEU CB C 44.310 0.30 1
611 59 59 LEU CG C 26.694 0.30 1
612 59 59 LEU CD1 C 22.442 0.30 1
613 59 59 LEU CD2 C 25.636 0.30 1
614 59 59 LEU N N 130.290 0.30 1
615 60 60 ALA H H 8.216 0.03 1
616 60 60 ALA HA H 4.547 0.03 1
617 60 60 ALA HB H 1.236 0.03 1
618 60 60 ALA CA C 50.100 0.30 1
619 60 60 ALA CB C 18.420 0.30 1
620 60 60 ALA N N 122.020 0.30 1
621 61 61 PRO HA H 4.296 0.03 1
622 61 61 PRO HB2 H 1.920 0.03 2
623 61 61 PRO HB3 H 2.169 0.03 2
624 61 61 PRO HG2 H 1.911 0.03 2
625 61 61 PRO HG3 H 2.159 0.03 2
626 61 61 PRO HD2 H 3.497 0.03 2
627 61 61 PRO HD3 H 3.722 0.03 2
628 61 61 PRO C C 178.014 0.30 1
629 61 61 PRO CA C 64.380 0.30 1
630 61 61 PRO CB C 30.720 0.30 1
631 61 61 PRO CG C 28.326 0.30 1
632 61 61 PRO CD C 49.804 0.30 1
633 62 62 GLY H H 9.141 0.03 1
634 62 62 GLY HA2 H 4.395 0.03 2
635 62 62 GLY C C 174.696 0.30 1
636 62 62 GLY CA C 45.900 0.30 1
637 62 62 GLY N N 113.420 0.30 1
638 63 63 VAL H H 8.714 0.03 1
639 63 63 VAL HA H 5.144 0.03 1
640 63 63 VAL HB H 1.926 0.03 1
641 63 63 VAL HG1 H 0.912 0.03 2
642 63 63 VAL HG2 H 0.808 0.03 2
643 63 63 VAL CA C 61.680 0.30 1
644 63 63 VAL CB C 34.420 0.30 1
645 63 63 VAL CG2 C 21.627 0.30 1
646 63 63 VAL N N 123.050 0.30 1
647 64 64 ALA H H 9.159 0.03 1
648 64 64 ALA HA H 5.256 0.03 1
649 64 64 ALA HB H 1.029 0.03 1
650 64 64 ALA C C 175.076 0.30 1
651 64 64 ALA CA C 49.490 0.30 1
652 64 64 ALA CB C 23.450 0.30 1
653 64 64 ALA N N 128.380 0.30 1
654 65 65 MET H H 9.065 0.03 1
655 65 65 MET HA H 6.006 0.03 1
656 65 65 MET HB2 H 1.591 0.03 2
657 65 65 MET HB3 H 2.456 0.03 2
658 65 65 MET HG2 H 2.317 0.03 2
659 65 65 MET HG3 H 2.461 0.03 2
660 65 65 MET HE H 1.712 0.03 1
661 65 65 MET CA C 51.240 0.30 1
662 65 65 MET CB C 35.720 0.30 1
663 65 65 MET CG C 31.422 0.30 1
664 65 65 MET CE C 17.070 0.30 1
665 65 65 MET N N 123.360 0.30 1
666 66 66 PRO HA H 2.576 0.03 1
667 66 66 PRO HB2 H 1.502 0.03 2
668 66 66 PRO HB3 H 1.774 0.03 2
669 66 66 PRO HG2 H 1.413 0.03 2
670 66 66 PRO HG3 H 1.993 0.03 2
671 66 66 PRO HD2 H 3.382 0.03 2
672 66 66 PRO HD3 H 2.945 0.03 2
673 66 66 PRO C C 172.765 0.30 1
674 66 66 PRO CA C 63.880 0.30 1
675 66 66 PRO CB C 32.114 0.30 1
676 66 66 PRO CG C 28.160 0.30 1
677 66 66 PRO CD C 49.114 0.30 1
678 67 67 HIS H H 6.368 0.03 1
679 67 67 HIS HA H 4.774 0.03 1
680 67 67 HIS HB2 H 3.171 0.03 2
681 67 67 HIS HB3 H 3.601 0.03 2
682 67 67 HIS HD2 H 6.722 0.03 1
683 67 67 HIS C C 170.865 0.30 1
684 67 67 HIS CA C 55.280 0.30 1
685 67 67 HIS CB C 31.510 0.30 1
686 67 67 HIS N N 113.860 0.30 1
687 68 68 ALA H H 8.598 0.03 1
688 68 68 ALA HA H 4.526 0.03 1
689 68 68 ALA HB H 0.977 0.03 1
690 68 68 ALA C C 174.500 0.30 1
691 68 68 ALA CA C 50.670 0.30 1
692 68 68 ALA CB C 20.730 0.30 1
693 68 68 ALA N N 123.500 0.30 1
694 69 69 ARG H H 7.964 0.03 1
695 69 69 ARG HA H 4.522 0.03 1
696 69 69 ARG HB2 H 2.208 0.03 2
697 69 69 ARG HB3 H 1.812 0.03 2
698 69 69 ARG HD2 H 3.220 0.03 2
699 69 69 ARG HD3 H 3.289 0.03 2
700 69 69 ARG CA C 55.491 0.30 1
701 69 69 ARG CB C 28.610 0.30 1
702 69 69 ARG CD C 43.316 0.30 1
703 69 69 ARG N N 118.610 0.30 1
704 70 70 PRO HA H 4.515 0.03 1
705 70 70 PRO HB2 H 2.025 0.03 2
706 70 70 PRO HB3 H 2.666 0.03 2
707 70 70 PRO HG2 H 1.968 0.03 2
708 70 70 PRO HG3 H 2.149 0.03 2
709 70 70 PRO HD2 H 3.806 0.03 2
710 70 70 PRO HD3 H 3.914 0.03 2
711 70 70 PRO C C 180.018 0.30 1
712 70 70 PRO CA C 66.030 0.30 1
713 70 70 PRO CB C 32.060 0.30 1
714 70 70 PRO CG C 27.623 0.30 1
715 70 70 PRO CD C 50.124 0.30 1
716 71 71 GLU H H 10.017 0.03 1
717 71 71 GLU HA H 4.376 0.03 1
718 71 71 GLU HB2 H 2.172 0.03 2
719 71 71 GLU HG2 H 2.333 0.03 2
720 71 71 GLU HG3 H 2.451 0.03 2
721 71 71 GLU C C 177.640 0.30 1
722 71 71 GLU CA C 58.550 0.30 1
723 71 71 GLU CB C 27.630 0.30 1
724 71 71 GLU CG C 35.921 0.30 1
725 71 71 GLU N N 117.080 0.30 1
726 72 72 CYS H H 8.383 0.03 1
727 72 72 CYS HA H 4.308 0.03 1
728 72 72 CYS HB2 H 3.048 0.03 2
729 72 72 CYS C C 173.676 0.30 1
730 72 72 CYS CA C 60.450 0.30 1
731 72 72 CYS CB C 27.510 0.30 1
732 72 72 CYS N N 120.610 0.30 1
733 73 73 GLY H H 7.866 0.03 1
734 73 73 GLY HA2 H 3.719 0.03 2
735 73 73 GLY HA3 H 4.867 0.03 2
736 73 73 GLY C C 171.866 0.30 1
737 73 73 GLY CA C 46.140 0.30 1
738 73 73 GLY N N 104.100 0.30 1
739 74 74 ALA H H 8.199 0.03 1
740 74 74 ALA HA H 4.226 0.03 1
741 74 74 ALA HB H 1.242 0.03 1
742 74 74 ALA CA C 52.260 0.30 1
743 74 74 ALA CB C 20.050 0.30 1
744 74 74 ALA N N 124.940 0.30 1
745 75 75 LEU H H 8.540 0.03 1
746 75 75 LEU HA H 4.318 0.03 1
747 75 75 LEU HB2 H 1.380 0.03 2
748 75 75 LEU HB3 H 1.475 0.03 2
749 75 75 LEU HG H 1.381 0.03 1
750 75 75 LEU HD1 H 0.626 0.03 2
751 75 75 LEU HD2 H 0.681 0.03 2
752 75 75 LEU CA C 56.040 0.30 1
753 75 75 LEU CB C 42.220 0.30 1
754 75 75 LEU CG C 27.043 0.30 1
755 75 75 LEU CD1 C 24.352 0.30 1
756 75 75 LEU CD2 C 22.291 0.30 1
757 75 75 LEU N N 124.410 0.30 1
758 76 76 LYS H H 8.404 0.03 1
759 76 76 LYS HA H 4.393 0.03 1
760 76 76 LYS HB2 H 1.109 0.03 2
761 76 76 LYS HB3 H 1.344 0.03 2
762 76 76 LYS HG2 H 1.109 0.03 2
763 76 76 LYS HG3 H 1.203 0.03 2
764 76 76 LYS HD2 H 1.095 0.03 2
765 76 76 LYS HE2 H 2.193 0.03 2
766 76 76 LYS HE3 H 2.504 0.03 2
767 76 76 LYS C C 174.698 0.30 1
768 76 76 LYS CA C 54.740 0.30 1
769 76 76 LYS CB C 37.140 0.30 1
770 76 76 LYS CG C 24.786 0.30 1
771 76 76 LYS CD C 29.150 0.30 1
772 76 76 LYS CE C 41.668 0.30 1
773 76 76 LYS N N 118.600 0.30 1
774 77 77 THR H H 8.691 0.03 1
775 77 77 THR HA H 5.076 0.03 1
776 77 77 THR HB H 4.164 0.03 1
777 77 77 THR HG2 H 1.459 0.03 1
778 77 77 THR C C 174.842 0.30 1
779 77 77 THR CA C 61.880 0.30 1
780 77 77 THR CB C 69.060 0.30 1
781 77 77 THR CG2 C 21.954 0.30 1
782 77 77 THR N N 123.050 0.30 1
783 78 78 GLY H H 9.504 0.03 1
784 78 78 GLY HA2 H 3.813 0.03 2
785 78 78 GLY HA3 H 4.638 0.03 2
786 78 78 GLY C C 169.404 0.30 1
787 78 78 GLY CA C 45.920 0.30 1
788 78 78 GLY N N 116.150 0.30 1
789 79 79 MET H H 7.815 0.03 1
790 79 79 MET HA H 5.415 0.03 1
791 79 79 MET HB2 H 0.210 0.03 2
792 79 79 MET HB3 H 1.555 0.03 2
793 79 79 MET HG2 H 1.745 0.03 2
794 79 79 MET HG3 H 2.446 0.03 2
795 79 79 MET C C 172.178 0.30 1
796 79 79 MET CA C 54.160 0.30 1
797 79 79 MET CB C 39.240 0.30 1
798 79 79 MET CG C 34.717 0.30 1
799 79 79 MET N N 117.220 0.30 1
800 80 80 SER H H 8.521 0.03 1
801 80 80 SER HA H 5.006 0.03 1
802 80 80 SER HB2 H 3.627 0.03 2
803 80 80 SER HB3 H 4.381 0.03 2
804 80 80 SER C C 173.307 0.30 1
805 80 80 SER CA C 55.310 0.30 1
806 80 80 SER CB C 68.000 0.30 1
807 80 80 SER N N 110.930 0.30 1
808 81 81 LEU H H 8.937 0.03 1
809 81 81 LEU HA H 5.378 0.03 1
810 81 81 LEU HB2 H 1.779 0.03 2
811 81 81 LEU HB3 H 1.561 0.03 2
812 81 81 LEU HG H 0.744 0.03 1
813 81 81 LEU HD1 H 0.818 0.03 2
814 81 81 LEU C C 174.330 0.30 1
815 81 81 LEU CA C 55.360 0.30 1
816 81 81 LEU CB C 46.640 0.30 1
817 81 81 LEU CG C 27.205 0.30 1
818 81 81 LEU CD1 C 25.953 0.30 1
819 81 81 LEU N N 123.030 0.30 1
820 82 82 THR H H 8.951 0.03 1
821 82 82 THR HA H 5.206 0.03 1
822 82 82 THR HB H 3.913 0.03 1
823 82 82 THR HG2 H 0.983 0.03 1
824 82 82 THR C C 171.917 0.30 1
825 82 82 THR CA C 61.690 0.30 1
826 82 82 THR CB C 71.250 0.30 1
827 82 82 THR CG2 C 21.052 0.30 1
828 82 82 THR N N 124.780 0.30 1
829 83 83 LEU H H 8.700 0.03 1
830 83 83 LEU HA H 5.234 0.03 1
831 83 83 LEU HB2 H 1.167 0.03 2
832 83 83 LEU HB3 H 1.853 0.03 2
833 83 83 LEU HG H 1.351 0.03 1
834 83 83 LEU HD1 H 0.963 0.03 2
835 83 83 LEU HD2 H 1.027 0.03 2
836 83 83 LEU C C 174.147 0.30 1
837 83 83 LEU CA C 52.960 0.30 1
838 83 83 LEU CB C 45.810 0.30 1
839 83 83 LEU CG C 27.948 0.30 1
840 83 83 LEU CD1 C 27.071 0.30 1
841 83 83 LEU CD2 C 23.845 0.30 1
842 83 83 LEU N N 130.770 0.30 1
843 84 84 LEU H H 9.325 0.03 1
844 84 84 LEU HA H 5.256 0.03 1
845 84 84 LEU HB2 H 1.679 0.03 2
846 84 84 LEU HB3 H 1.446 0.03 2
847 84 84 LEU HG H 0.963 0.03 1
848 84 84 LEU HD1 H 0.717 0.03 2
849 84 84 LEU CA C 52.580 0.30 1
850 84 84 LEU CB C 43.200 0.30 1
851 84 84 LEU CG C 26.842 0.30 1
852 84 84 LEU CD1 C 24.446 0.30 1
853 84 84 LEU N N 126.870 0.30 1
854 85 85 GLU H H 8.350 0.03 1
855 85 85 GLU HA H 3.927 0.03 1
856 85 85 GLU HB2 H 2.129 0.03 2
857 85 85 GLU HB3 H 2.414 0.03 2
858 85 85 GLU HG2 H 2.127 0.03 2
859 85 85 GLU HG3 H 2.295 0.03 2
860 85 85 GLU C C 177.312 0.30 1
861 85 85 GLU CA C 59.390 0.30 1
862 85 85 GLU CB C 29.460 0.30 1
863 85 85 GLU CG C 37.190 0.30 1
864 85 85 GLU N N 122.330 0.30 1
865 86 86 GLN H H 7.751 0.03 1
866 86 86 GLN HA H 4.465 0.03 1
867 86 86 GLN HB2 H 1.961 0.03 2
868 86 86 GLN HB3 H 1.821 0.03 2
869 86 86 GLN HG2 H 2.196 0.03 2
870 86 86 GLN C C 175.582 0.30 1
871 86 86 GLN CA C 54.100 0.30 1
872 86 86 GLN CB C 29.960 0.30 1
873 86 86 GLN CG C 33.524 0.30 1
874 86 86 GLN N N 117.910 0.30 1
875 87 87 GLY H H 8.564 0.03 1
876 87 87 GLY HA2 H 3.092 0.03 2
877 87 87 GLY HA3 H 4.148 0.03 2
878 87 87 GLY C C 171.712 0.30 1
879 87 87 GLY CA C 45.780 0.30 1
880 87 87 GLY N N 110.900 0.30 1
881 88 88 VAL H H 8.610 0.03 1
882 88 88 VAL HA H 4.724 0.03 1
883 88 88 VAL HB H 2.099 0.03 1
884 88 88 VAL HG1 H 0.924 0.03 2
885 88 88 VAL HG2 H 0.858 0.03 2
886 88 88 VAL C C 173.905 0.30 1
887 88 88 VAL CA C 58.510 0.30 1
888 88 88 VAL CB C 35.240 0.30 1
889 88 88 VAL CG1 C 21.183 0.30 1
890 88 88 VAL CG2 C 21.183 0.30 1
891 88 88 VAL N N 118.940 0.30 1
892 89 89 TYR H H 8.788 0.03 1
893 89 89 TYR HA H 4.908 0.03 1
894 89 89 TYR HB2 H 2.863 0.03 2
895 89 89 TYR HB3 H 2.999 0.03 2
896 89 89 TYR HD1 H 7.250 0.03 3
897 89 89 TYR C C 176.826 0.30 1
898 89 89 TYR CA C 59.210 0.30 1
899 89 89 TYR CB C 38.250 0.30 1
900 89 89 TYR CD1 C 133.305 0.30 3
901 89 89 TYR N N 126.220 0.30 1
902 90 90 PHE H H 10.088 0.03 1
903 90 90 PHE HA H 4.449 0.03 1
904 90 90 PHE HB2 H 2.328 0.03 2
905 90 90 PHE HB3 H 2.917 0.03 2
906 90 90 PHE HD1 H 7.110 0.03 3
907 90 90 PHE CA C 55.330 0.30 1
908 90 90 PHE CB C 39.440 0.30 1
909 90 90 PHE N N 128.920 0.30 1
910 91 91 PRO HA H 4.146 0.03 1
911 91 91 PRO HB2 H 1.630 0.03 2
912 91 91 PRO HB3 H 2.167 0.03 2
913 91 91 PRO HG2 H 1.513 0.03 2
914 91 91 PRO HG3 H 1.247 0.03 2
915 91 91 PRO HD2 H 2.292 0.03 2
916 91 91 PRO C C 177.214 0.30 1
917 91 91 PRO CA C 63.470 0.30 1
918 91 91 PRO CB C 31.890 0.30 1
919 91 91 PRO CG C 27.773 0.30 1
920 91 91 PRO CD C 49.458 0.30 1
921 92 92 GLY H H 8.479 0.03 1
922 92 92 GLY HA2 H 4.000 0.03 2
923 92 92 GLY HA3 H 3.672 0.03 2
924 92 92 GLY C C 173.690 0.30 1
925 92 92 GLY CA C 45.860 0.30 1
926 92 92 GLY N N 109.550 0.30 1
927 93 93 ASN H H 7.537 0.03 1
928 93 93 ASN HA H 4.987 0.03 1
929 93 93 ASN HB2 H 2.754 0.03 2
930 93 93 ASN HB3 H 2.373 0.03 2
931 93 93 ASN HD21 H 7.246 0.03 2
932 93 93 ASN C C 175.050 0.30 1
933 93 93 ASN CA C 52.950 0.30 1
934 93 93 ASN CB C 41.590 0.30 1
935 93 93 ASN N N 119.140 0.30 1
936 93 93 ASN ND2 N 113.638 0.30 1
937 94 94 ASP H H 8.904 0.03 1
938 94 94 ASP HA H 4.650 0.03 1
939 94 94 ASP HB2 H 2.809 0.03 2
940 94 94 ASP HB3 H 2.683 0.03 2
941 94 94 ASP CA C 56.150 0.30 1
942 94 94 ASP CB C 41.410 0.30 1
943 94 94 ASP N N 127.500 0.30 1
944 95 95 GLU H H 8.229 0.03 1
945 95 95 GLU HA H 4.930 0.03 1
946 95 95 GLU HB2 H 2.048 0.03 2
947 95 95 GLU HB3 H 2.013 0.03 2
948 95 95 GLU HG2 H 2.240 0.03 2
949 95 95 GLU CA C 53.380 0.30 1
950 95 95 GLU CB C 29.740 0.30 1
951 95 95 GLU CG C 35.692 0.30 1
952 95 95 GLU N N 121.490 0.30 1
953 96 96 PRO HA H 3.811 0.03 1
954 96 96 PRO HB2 H 1.194 0.03 2
955 96 96 PRO HB3 H 0.962 0.03 2
956 96 96 PRO HG2 H 1.587 0.03 2
957 96 96 PRO HG3 H 1.856 0.03 2
958 96 96 PRO HD2 H 3.860 0.03 2
959 96 96 PRO HD3 H 3.715 0.03 2
960 96 96 PRO C C 175.280 0.30 1
961 96 96 PRO CA C 62.660 0.30 1
962 96 96 PRO CB C 31.440 0.30 1
963 96 96 PRO CG C 26.634 0.30 1
964 96 96 PRO CD C 50.471 0.30 1
965 97 97 ILE H H 9.181 0.03 1
966 97 97 ILE HA H 3.883 0.03 1
967 97 97 ILE HB H 2.200 0.03 1
968 97 97 ILE HG12 H 0.743 0.03 1
969 97 97 ILE HG13 H 1.616 0.03 1
970 97 97 ILE HG2 H 0.643 0.03 1
971 97 97 ILE HD1 H 0.589 0.03 1
972 97 97 ILE C C 175.039 0.30 1
973 97 97 ILE CA C 58.680 0.30 1
974 97 97 ILE CB C 36.500 0.30 1
975 97 97 ILE CG1 C 27.752 0.30 1
976 97 97 ILE CG2 C 18.661 0.30 1
977 97 97 ILE CD1 C 10.899 0.30 1
978 97 97 ILE N N 122.670 0.30 1
979 98 98 LYS H H 8.510 0.03 1
980 98 98 LYS HA H 4.647 0.03 1
981 98 98 LYS HB2 H 1.568 0.03 2
982 98 98 LYS HB3 H 2.045 0.03 2
983 98 98 LYS HG2 H 1.276 0.03 2
984 98 98 LYS HG3 H 1.465 0.03 2
985 98 98 LYS HD2 H 1.779 0.03 2
986 98 98 LYS HD3 H 1.705 0.03 2
987 98 98 LYS HE2 H 2.985 0.03 2
988 98 98 LYS HE3 H 3.072 0.03 2
989 98 98 LYS C C 173.349 0.30 1
990 98 98 LYS CA C 56.430 0.30 1
991 98 98 LYS CB C 35.970 0.30 1
992 98 98 LYS CG C 25.199 0.30 1
993 98 98 LYS CD C 28.861 0.30 1
994 98 98 LYS CE C 41.642 0.30 1
995 98 98 LYS N N 124.890 0.30 1
996 99 99 LEU H H 8.201 0.03 1
997 99 99 LEU HA H 5.333 0.03 1
998 99 99 LEU HB2 H 1.239 0.03 2
999 99 99 LEU HB3 H 1.961 0.03 2
1000 99 99 LEU HG H 1.430 0.03 1
1001 99 99 LEU HD1 H 0.896 0.03 2
1002 99 99 LEU HD2 H 0.830 0.03 2
1003 99 99 LEU C C 174.262 0.30 1
1004 99 99 LEU CA C 53.300 0.30 1
1005 99 99 LEU CB C 45.890 0.30 1
1006 99 99 LEU CG C 27.026 0.30 1
1007 99 99 LEU CD1 C 24.232 0.30 1
1008 99 99 LEU N N 121.170 0.30 1
1009 100 100 LEU H H 9.373 0.03 1
1010 100 100 LEU HA H 5.368 0.03 1
1011 100 100 LEU HB2 H 1.207 0.03 2
1012 100 100 LEU HB3 H 1.802 0.03 2
1013 100 100 LEU HG H 1.528 0.03 1
1014 100 100 LEU HD1 H 0.951 0.03 2
1015 100 100 LEU HD2 H 0.886 0.03 2
1016 100 100 LEU C C 176.389 0.30 1
1017 100 100 LEU CA C 53.880 0.30 1
1018 100 100 LEU CB C 43.800 0.30 1
1019 100 100 LEU CG C 27.948 0.30 1
1020 100 100 LEU CD1 C 26.750 0.30 1
1021 100 100 LEU CD2 C 26.804 0.30 1
1022 100 100 LEU N N 125.070 0.30 1
1023 101 101 ILE H H 9.551 0.03 1
1024 101 101 ILE HA H 5.266 0.03 1
1025 101 101 ILE HB H 1.806 0.03 1
1026 101 101 ILE HG12 H 1.495 0.03 1
1027 101 101 ILE HG13 H 1.083 0.03 1
1028 101 101 ILE HG2 H 1.002 0.03 1
1029 101 101 ILE HD1 H 0.791 0.03 1
1030 101 101 ILE C C 176.466 0.30 1
1031 101 101 ILE CA C 59.240 0.30 1
1032 101 101 ILE CB C 38.900 0.30 1
1033 101 101 ILE CG1 C 27.864 0.30 1
1034 101 101 ILE CG2 C 18.714 0.30 1
1035 101 101 ILE CD1 C 14.930 0.30 1
1036 101 101 ILE N N 131.170 0.30 1
1037 102 102 GLY H H 7.957 0.03 1
1038 102 102 GLY HA2 H 3.976 0.03 2
1039 102 102 GLY HA3 H 3.392 0.03 2
1040 102 102 GLY C C 172.779 0.30 1
1041 102 102 GLY CA C 45.740 0.30 1
1042 102 102 GLY N N 112.440 0.30 1
1043 103 103 LEU H H 7.886 0.03 1
1044 103 103 LEU HA H 5.135 0.03 1
1045 103 103 LEU HB2 H 1.560 0.03 2
1046 103 103 LEU HB3 H 1.193 0.03 2
1047 103 103 LEU HG H 1.246 0.03 1
1048 103 103 LEU HD1 H 0.500 0.03 2
1049 103 103 LEU HD2 H 0.676 0.03 2
1050 103 103 LEU CA C 54.470 0.30 1
1051 103 103 LEU CB C 45.770 0.30 1
1052 103 103 LEU CG C 28.040 0.30 1
1053 103 103 LEU CD1 C 25.711 0.30 1
1054 103 103 LEU CD2 C 23.660 0.30 1
1055 103 103 LEU N N 122.170 0.30 1
1056 104 104 SER H H 8.955 0.03 1
1057 104 104 SER HA H 4.362 0.03 1
1058 104 104 SER HB2 H 3.304 0.03 2
1059 104 104 SER HB3 H 3.643 0.03 2
1060 104 104 SER C C 172.154 0.30 1
1061 104 104 SER CA C 57.330 0.30 1
1062 104 104 SER CB C 64.770 0.30 1
1063 104 104 SER N N 123.260 0.30 1
1064 105 105 ALA H H 8.467 0.03 1
1065 105 105 ALA HA H 4.898 0.03 1
1066 105 105 ALA HB H 1.409 0.03 1
1067 105 105 ALA C C 175.344 0.30 1
1068 105 105 ALA CA C 50.430 0.30 1
1069 105 105 ALA CB C 19.660 0.30 1
1070 105 105 ALA N N 127.970 0.30 1
1071 106 106 ALA H H 7.899 0.03 1
1072 106 106 ALA HA H 3.867 0.03 1
1073 106 106 ALA HB H 1.175 0.03 1
1074 106 106 ALA C C 176.232 0.30 1
1075 106 106 ALA CA C 53.660 0.30 1
1076 106 106 ALA CB C 19.320 0.30 1
1077 106 106 ALA N N 122.510 0.30 1
1078 107 107 ASP H H 7.511 0.03 1
1079 107 107 ASP HA H 4.589 0.03 1
1080 107 107 ASP HB2 H 2.951 0.03 2
1081 107 107 ASP HB3 H 3.075 0.03 2
1082 107 107 ASP CA C 52.500 0.30 1
1083 107 107 ASP CB C 42.470 0.30 1
1084 107 107 ASP N N 111.420 0.30 1
1085 108 108 ALA H H 8.738 0.03 1
1086 108 108 ALA HA H 4.258 0.03 1
1087 108 108 ALA HB H 1.535 0.03 1
1088 108 108 ALA C C 180.063 0.30 1
1089 108 108 ALA CA C 55.500 0.30 1
1090 108 108 ALA CB C 18.730 0.30 1
1091 108 108 ALA N N 123.050 0.30 1
1092 109 109 ASP H H 8.502 0.03 1
1093 109 109 ASP HA H 4.547 0.03 1
1094 109 109 ASP HB2 H 2.664 0.03 2
1095 109 109 ASP C C 179.779 0.30 1
1096 109 109 ASP CA C 57.390 0.30 1
1097 109 109 ASP CB C 40.700 0.30 1
1098 109 109 ASP N N 118.870 0.30 1
1099 110 110 SER H H 8.859 0.03 1
1100 110 110 SER HA H 4.394 0.03 1
1101 110 110 SER HB2 H 4.060 0.03 2
1102 110 110 SER C C 176.451 0.30 1
1103 110 110 SER CA C 61.890 0.30 1
1104 110 110 SER CB C 62.740 0.30 1
1105 110 110 SER N N 118.600 0.30 1
1106 111 111 HIS H H 8.098 0.03 1
1107 111 111 HIS HA H 3.914 0.03 1
1108 111 111 HIS HB2 H 3.016 0.03 2
1109 111 111 HIS HB3 H 3.462 0.03 2
1110 111 111 HIS C C 175.998 0.30 1
1111 111 111 HIS CA C 60.450 0.30 1
1112 111 111 HIS CB C 31.530 0.30 1
1113 111 111 HIS N N 124.560 0.30 1
1114 112 112 ILE H H 7.731 0.03 1
1115 112 112 ILE HA H 3.668 0.03 1
1116 112 112 ILE HB H 2.011 0.03 1
1117 112 112 ILE HG12 H 1.331 0.03 1
1118 112 112 ILE HG13 H 1.718 0.03 1
1119 112 112 ILE HG2 H 0.956 0.03 1
1120 112 112 ILE HD1 H 0.923 0.03 1
1121 112 112 ILE C C 179.146 0.30 1
1122 112 112 ILE CA C 64.210 0.30 1
1123 112 112 ILE CB C 37.920 0.30 1
1124 112 112 ILE CG1 C 29.166 0.30 1
1125 112 112 ILE CG2 C 17.357 0.30 1
1126 112 112 ILE CD1 C 12.763 0.30 1
1127 112 112 ILE N N 118.440 0.30 1
1128 113 113 GLY H H 8.079 0.03 1
1129 113 113 GLY HA2 H 3.855 0.03 2
1130 113 113 GLY HA3 H 3.916 0.03 2
1131 113 113 GLY C C 175.927 0.30 1
1132 113 113 GLY CA C 47.250 0.30 1
1133 113 113 GLY N N 107.050 0.30 1
1134 114 114 ALA H H 7.930 0.03 1
1135 114 114 ALA HA H 3.659 0.03 1
1136 114 114 ALA HB H 1.087 0.03 1
1137 114 114 ALA C C 178.922 0.30 1
1138 114 114 ALA CA C 55.090 0.30 1
1139 114 114 ALA CB C 18.380 0.30 1
1140 114 114 ALA N N 126.340 0.30 1
1141 115 115 ILE H H 7.851 0.03 1
1142 115 115 ILE HA H 3.561 0.03 1
1143 115 115 ILE HB H 1.799 0.03 1
1144 115 115 ILE HG12 H 1.049 0.03 1
1145 115 115 ILE HG13 H 1.320 0.03 1
1146 115 115 ILE HG2 H 0.766 0.03 1
1147 115 115 ILE HD1 H 0.479 0.03 1
1148 115 115 ILE C C 179.811 0.30 1
1149 115 115 ILE CA C 64.210 0.30 1
1150 115 115 ILE CB C 36.910 0.30 1
1151 115 115 ILE CG1 C 28.629 0.30 1
1152 115 115 ILE CG2 C 17.549 0.30 1
1153 115 115 ILE CD1 C 12.415 0.30 1
1154 115 115 ILE N N 116.460 0.30 1
1155 116 116 GLN H H 8.261 0.03 1
1156 116 116 GLN HA H 4.013 0.03 1
1157 116 116 GLN HB2 H 2.096 0.03 2
1158 116 116 GLN HB3 H 2.233 0.03 2
1159 116 116 GLN HG2 H 2.378 0.03 2
1160 116 116 GLN HG3 H 2.506 0.03 2
1161 116 116 GLN HE21 H 7.618 0.03 2
1162 116 116 GLN HE22 H 6.792 0.03 2
1163 116 116 GLN C C 178.442 0.30 1
1164 116 116 GLN CA C 59.380 0.30 1
1165 116 116 GLN CB C 27.930 0.30 1
1166 116 116 GLN CG C 33.908 0.30 1
1167 116 116 GLN N N 123.090 0.30 1
1168 116 116 GLN NE2 N 112.673 0.30 1
1169 117 117 ALA H H 7.910 0.03 1
1170 117 117 ALA HA H 4.140 0.03 1
1171 117 117 ALA HB H 1.469 0.03 1
1172 117 117 ALA C C 180.841 0.30 1
1173 117 117 ALA CA C 55.020 0.30 1
1174 117 117 ALA CB C 18.110 0.30 1
1175 117 117 ALA N N 122.730 0.30 1
1176 118 118 LEU H H 8.232 0.03 1
1177 118 118 LEU HA H 4.053 0.03 1
1178 118 118 LEU HB2 H 1.469 0.03 2
1179 118 118 LEU HB3 H 1.656 0.03 2
1180 118 118 LEU HG H 1.589 0.03 1
1181 118 118 LEU HD1 H 0.846 0.03 2
1182 118 118 LEU C C 179.175 0.30 1
1183 118 118 LEU CA C 57.400 0.30 1
1184 118 118 LEU CB C 42.420 0.30 1
1185 118 118 LEU CG C 27.056 0.30 1
1186 118 118 LEU CD1 C 24.509 0.30 1
1187 118 118 LEU N N 118.850 0.30 1
1188 119 119 SER H H 8.536 0.03 1
1189 119 119 SER HA H 4.050 0.03 1
1190 119 119 SER C C 176.028 0.30 1
1191 119 119 SER CA C 62.660 0.30 1
1192 119 119 SER N N 116.470 0.30 1
1193 120 120 GLU H H 7.626 0.03 1
1194 120 120 GLU HA H 4.092 0.03 1
1195 120 120 GLU HB2 H 2.134 0.03 2
1196 120 120 GLU HG2 H 2.324 0.03 2
1197 120 120 GLU HG3 H 2.557 0.03 2
1198 120 120 GLU C C 178.099 0.30 1
1199 120 120 GLU CA C 59.060 0.30 1
1200 120 120 GLU CB C 29.580 0.30 1
1201 120 120 GLU CG C 36.756 0.30 1
1202 120 120 GLU N N 120.250 0.30 1
1203 121 121 LEU H H 7.336 0.03 1
1204 121 121 LEU HA H 4.355 0.03 1
1205 121 121 LEU HB2 H 1.687 0.03 2
1206 121 121 LEU HB3 H 1.874 0.03 2
1207 121 121 LEU HG H 1.587 0.03 1
1208 121 121 LEU HD1 H 0.796 0.03 2
1209 121 121 LEU HD2 H 0.906 0.03 2
1210 121 121 LEU C C 177.613 0.30 1
1211 121 121 LEU CA C 57.620 0.30 1
1212 121 121 LEU CB C 42.640 0.30 1
1213 121 121 LEU CG C 27.227 0.30 1
1214 121 121 LEU CD1 C 25.220 0.30 1
1215 121 121 LEU CD2 C 24.366 0.30 1
1216 121 121 LEU N N 119.660 0.30 1
1217 122 122 LEU H H 7.871 0.03 1
1218 122 122 LEU HA H 3.931 0.03 1
1219 122 122 LEU HB2 H 1.521 0.03 2
1220 122 122 LEU HB3 H 1.747 0.03 2
1221 122 122 LEU HG H 0.741 0.03 1
1222 122 122 LEU HD1 H 0.653 0.03 2
1223 122 122 LEU C C 177.425 0.30 1
1224 122 122 LEU CA C 56.390 0.30 1
1225 122 122 LEU CB C 41.460 0.30 1
1226 122 122 LEU CG C 26.162 0.30 1
1227 122 122 LEU CD1 C 22.561 0.30 1
1228 122 122 LEU N N 113.280 0.30 1
1229 123 123 CYS H H 7.516 0.03 1
1230 123 123 CYS HA H 4.437 0.03 1
1231 123 123 CYS HB2 H 3.074 0.03 2
1232 123 123 CYS C C 174.702 0.30 1
1233 123 123 CYS CA C 59.810 0.30 1
1234 123 123 CYS CB C 27.390 0.30 1
1235 123 123 CYS N N 113.400 0.30 1
1236 124 124 GLU H H 7.332 0.03 1
1237 124 124 GLU HA H 4.525 0.03 1
1238 124 124 GLU HB2 H 2.156 0.03 2
1239 124 124 GLU HG2 H 2.381 0.03 2
1240 124 124 GLU HG3 H 2.466 0.03 2
1241 124 124 GLU C C 176.345 0.30 1
1242 124 124 GLU CA C 55.360 0.30 1
1243 124 124 GLU CB C 29.480 0.30 1
1244 124 124 GLU CG C 35.763 0.30 1
1245 124 124 GLU N N 123.130 0.30 1
1246 125 125 GLU H H 8.907 0.03 1
1247 125 125 GLU HA H 3.961 0.03 1
1248 125 125 GLU HB2 H 2.088 0.03 2
1249 125 125 GLU HG2 H 2.374 0.03 2
1250 125 125 GLU C C 178.201 0.30 1
1251 125 125 GLU CA C 60.080 0.30 1
1252 125 125 GLU CB C 29.570 0.30 1
1253 125 125 GLU CG C 36.467 0.30 1
1254 125 125 GLU N N 128.020 0.30 1
1255 126 126 GLU H H 9.119 0.03 1
1256 126 126 GLU HA H 4.146 0.03 1
1257 126 126 GLU HB2 H 2.110 0.03 2
1258 126 126 GLU HG2 H 2.303 0.03 2
1259 126 126 GLU C C 178.594 0.30 1
1260 126 126 GLU CA C 59.260 0.30 1
1261 126 126 GLU CB C 29.450 0.30 1
1262 126 126 GLU CG C 36.925 0.30 1
1263 126 126 GLU N N 118.080 0.30 1
1264 127 127 ILE H H 7.331 0.03 1
1265 127 127 ILE HA H 3.804 0.03 1
1266 127 127 ILE HB H 2.243 0.03 1
1267 127 127 ILE HG12 H 1.295 0.03 1
1268 127 127 ILE HG13 H 1.576 0.03 1
1269 127 127 ILE HG2 H 0.804 0.03 1
1270 127 127 ILE HD1 H 0.804 0.03 1
1271 127 127 ILE C C 177.875 0.30 1
1272 127 127 ILE CA C 63.120 0.30 1
1273 127 127 ILE CB C 35.990 0.30 1
1274 127 127 ILE CG1 C 28.280 0.30 1
1275 127 127 ILE CG2 C 17.777 0.30 1
1276 127 127 ILE CD1 C 10.869 0.30 1
1277 127 127 ILE N N 121.010 0.30 1
1278 128 128 LEU H H 8.071 0.03 1
1279 128 128 LEU HA H 3.961 0.03 1
1280 128 128 LEU HB2 H 1.776 0.03 2
1281 128 128 LEU HB3 H 1.648 0.03 2
1282 128 128 LEU HG H 1.663 0.03 1
1283 128 128 LEU HD1 H 0.894 0.03 2
1284 128 128 LEU HD2 H 0.884 0.03 2
1285 128 128 LEU C C 178.226 0.30 1
1286 128 128 LEU CA C 58.700 0.30 1
1287 128 128 LEU CB C 41.100 0.30 1
1288 128 128 LEU CG C 27.082 0.30 1
1289 128 128 LEU CD1 C 25.359 0.30 1
1290 128 128 LEU CD2 C 24.142 0.30 1
1291 128 128 LEU N N 122.140 0.30 1
1292 129 129 GLU H H 7.962 0.03 1
1293 129 129 GLU HA H 4.019 0.03 1
1294 129 129 GLU HB2 H 2.022 0.03 2
1295 129 129 GLU HG2 H 2.266 0.03 2
1296 129 129 GLU C C 179.747 0.30 1
1297 129 129 GLU CA C 59.660 0.30 1
1298 129 129 GLU CB C 29.280 0.30 1
1299 129 129 GLU CG C 36.080 0.30 1
1300 129 129 GLU N N 116.670 0.30 1
1301 130 130 GLN H H 7.628 0.03 1
1302 130 130 GLN HA H 3.846 0.03 1
1303 130 130 GLN HB2 H 2.308 0.03 2
1304 130 130 GLN HB3 H 2.070 0.03 2
1305 130 130 GLN HG2 H 2.308 0.03 2
1306 130 130 GLN HG3 H 2.711 0.03 2
1307 130 130 GLN HE21 H 7.172 0.03 2
1308 130 130 GLN HE22 H 6.764 0.03 2
1309 130 130 GLN CA C 59.230 0.30 1
1310 130 130 GLN CB C 29.000 0.30 1
1311 130 130 GLN CG C 34.761 0.30 1
1312 130 130 GLN N N 119.670 0.30 1
1313 130 130 GLN NE2 N 111.287 0.30 1
1314 131 131 LEU H H 8.273 0.03 1
1315 131 131 LEU HA H 3.830 0.03 1
1316 131 131 LEU HB2 H 1.259 0.03 2
1317 131 131 LEU HB3 H 2.147 0.03 2
1318 131 131 LEU HG H 1.836 0.03 1
1319 131 131 LEU HD1 H 0.723 0.03 2
1320 131 131 LEU C C 177.181 0.30 1
1321 131 131 LEU CA C 58.230 0.30 1
1322 131 131 LEU CB C 42.840 0.30 1
1323 131 131 LEU CG C 26.486 0.30 1
1324 131 131 LEU CD1 C 24.589 0.30 1
1325 131 131 LEU N N 120.120 0.30 1
1326 132 132 LEU H H 7.832 0.03 1
1327 132 132 LEU HA H 4.078 0.03 1
1328 132 132 LEU HB2 H 1.881 0.03 2
1329 132 132 LEU HB3 H 1.475 0.03 2
1330 132 132 LEU HG H 1.779 0.03 1
1331 132 132 LEU HD1 H 0.861 0.03 2
1332 132 132 LEU HD2 H 0.848 0.03 2
1333 132 132 LEU CA C 56.910 0.30 1
1334 132 132 LEU CB C 42.770 0.30 1
1335 132 132 LEU CG C 27.657 0.30 1
1336 132 132 LEU CD1 C 25.769 0.30 1
1337 132 132 LEU CD2 C 24.417 0.30 1
1338 132 132 LEU N N 112.480 0.30 1
1339 133 133 THR H H 7.391 0.03 1
1340 133 133 THR HA H 4.482 0.03 1
1341 133 133 THR HB H 4.482 0.03 1
1342 133 133 THR HG2 H 1.240 0.03 1
1343 133 133 THR C C 174.299 0.30 1
1344 133 133 THR CA C 60.360 0.30 1
1345 133 133 THR CB C 70.060 0.30 1
1346 133 133 THR CG2 C 21.352 0.30 1
1347 133 133 THR N N 106.380 0.30 1
1348 134 134 ALA H H 6.965 0.03 1
1349 134 134 ALA HA H 4.204 0.03 1
1350 134 134 ALA HB H 1.410 0.03 1
1351 134 134 ALA C C 176.571 0.30 1
1352 134 134 ALA CA C 53.190 0.30 1
1353 134 134 ALA CB C 19.530 0.30 1
1354 134 134 ALA N N 128.050 0.30 1
1355 135 135 SER H H 8.601 0.03 1
1356 135 135 SER HA H 4.614 0.03 1
1357 135 135 SER HB2 H 3.853 0.03 2
1358 135 135 SER HB3 H 4.067 0.03 2
1359 135 135 SER C C 174.422 0.30 1
1360 135 135 SER CA C 58.090 0.30 1
1361 135 135 SER CB C 65.010 0.30 1
1362 135 135 SER N N 110.580 0.30 1
1363 136 136 SER H H 7.583 0.03 1
1364 136 136 SER HA H 4.788 0.03 1
1365 136 136 SER HB2 H 3.953 0.03 2
1366 136 136 SER HB3 H 4.224 0.03 2
1367 136 136 SER C C 173.602 0.30 1
1368 136 136 SER CA C 56.810 0.30 1
1369 136 136 SER CB C 67.050 0.30 1
1370 136 136 SER N N 113.620 0.30 1
1371 137 137 GLU H H 9.622 0.03 1
1372 137 137 GLU HA H 3.825 0.03 1
1373 137 137 GLU HB2 H 2.101 0.03 2
1374 137 137 GLU HB3 H 2.032 0.03 2
1375 137 137 GLU HG2 H 2.331 0.03 2
1376 137 137 GLU HG3 H 2.414 0.03 2
1377 137 137 GLU C C 177.661 0.30 1
1378 137 137 GLU CA C 59.970 0.30 1
1379 137 137 GLU CB C 28.630 0.30 1
1380 137 137 GLU CG C 36.555 0.30 1
1381 137 137 GLU N N 123.040 0.30 1
1382 138 138 LYS H H 8.091 0.03 1
1383 138 138 LYS HA H 4.030 0.03 1
1384 138 138 LYS HB2 H 1.857 0.03 2
1385 138 138 LYS HB3 H 1.744 0.03 2
1386 138 138 LYS HG2 H 1.433 0.03 2
1387 138 138 LYS HD2 H 1.720 0.03 2
1388 138 138 LYS HD3 H 1.615 0.03 2
1389 138 138 LYS HE2 H 2.943 0.03 2
1390 138 138 LYS HE3 H 3.004 0.03 2
1391 138 138 LYS C C 178.177 0.30 1
1392 138 138 LYS CA C 58.930 0.30 1
1393 138 138 LYS CB C 32.320 0.30 1
1394 138 138 LYS CG C 24.945 0.30 1
1395 138 138 LYS CD C 28.783 0.30 1
1396 138 138 LYS CE C 42.383 0.30 1
1397 138 138 LYS N N 121.240 0.30 1
1398 139 139 GLN H H 7.508 0.03 1
1399 139 139 GLN HA H 4.118 0.03 1
1400 139 139 GLN HB2 H 2.205 0.03 2
1401 139 139 GLN HB3 H 2.080 0.03 2
1402 139 139 GLN HG2 H 2.438 0.03 2
1403 139 139 GLN C C 179.213 0.30 1
1404 139 139 GLN CA C 58.860 0.30 1
1405 139 139 GLN CB C 29.300 0.30 1
1406 139 139 GLN CG C 34.283 0.30 1
1407 139 139 GLN N N 118.370 0.30 1
1408 140 140 LEU H H 7.273 0.03 1
1409 140 140 LEU HA H 3.853 0.03 1
1410 140 140 LEU HB2 H 1.119 0.03 2
1411 140 140 LEU HB3 H 1.899 0.03 2
1412 140 140 LEU HG H 1.591 0.03 1
1413 140 140 LEU HD1 H 0.881 0.03 2
1414 140 140 LEU HD2 H 0.670 0.03 2
1415 140 140 LEU C C 177.912 0.30 1
1416 140 140 LEU CA C 58.190 0.30 1
1417 140 140 LEU CB C 42.810 0.30 1
1418 140 140 LEU CG C 26.603 0.30 1
1419 140 140 LEU CD1 C 24.725 0.30 1
1420 140 140 LEU N N 118.140 0.30 1
1421 141 141 ALA H H 8.304 0.03 1
1422 141 141 ALA HA H 3.720 0.03 1
1423 141 141 ALA HB H 1.436 0.03 1
1424 141 141 ALA CA C 55.180 0.30 1
1425 141 141 ALA CB C 17.960 0.30 1
1426 141 141 ALA N N 120.890 0.30 1
1427 142 142 ASP H H 8.278 0.03 1
1428 142 142 ASP HA H 4.319 0.03 1
1429 142 142 ASP HB2 H 2.632 0.03 2
1430 142 142 ASP HB3 H 2.810 0.03 2
1431 142 142 ASP C C 179.130 0.30 1
1432 142 142 ASP CA C 57.110 0.30 1
1433 142 142 ASP CB C 40.350 0.30 1
1434 142 142 ASP N N 119.850 0.30 1
1435 143 143 ILE H H 7.710 0.03 1
1436 143 143 ILE HA H 3.590 0.03 1
1437 143 143 ILE HB H 1.822 0.03 1
1438 143 143 ILE HG12 H 1.881 0.03 1
1439 143 143 ILE HG13 H 0.970 0.03 1
1440 143 143 ILE HG2 H 0.791 0.03 1
1441 143 143 ILE HD1 H 0.760 0.03 1
1442 143 143 ILE C C 178.405 0.30 1
1443 143 143 ILE CA C 65.600 0.30 1
1444 143 143 ILE CB C 38.280 0.30 1
1445 143 143 ILE CG1 C 29.140 0.30 1
1446 143 143 ILE CG2 C 18.434 0.30 1
1447 143 143 ILE CD1 C 15.058 0.30 1
1448 143 143 ILE N N 121.830 0.30 1
1449 144 144 ILE H H 7.611 0.03 1
1450 144 144 ILE HA H 3.739 0.03 1
1451 144 144 ILE HB H 1.798 0.03 1
1452 144 144 ILE HG12 H 1.005 0.03 1
1453 144 144 ILE HG13 H 1.148 0.03 1
1454 144 144 ILE HG2 H 0.535 0.03 1
1455 144 144 ILE HD1 H 0.306 0.03 1
1456 144 144 ILE C C 177.642 0.30 1
1457 144 144 ILE CA C 62.680 0.30 1
1458 144 144 ILE CB C 37.020 0.30 1
1459 144 144 ILE CG1 C 27.830 0.30 1
1460 144 144 ILE CG2 C 18.050 0.30 1
1461 144 144 ILE CD1 C 11.610 0.30 1
1462 144 144 ILE N N 116.640 0.30 1
1463 145 145 SER H H 7.926 0.03 1
1464 145 145 SER HA H 4.346 0.03 1
1465 145 145 SER HB2 H 4.031 0.03 2
1466 145 145 SER C C 174.633 0.30 1
1467 145 145 SER CA C 60.270 0.30 1
1468 145 145 SER CB C 63.480 0.30 1
1469 145 145 SER N N 115.210 0.30 1
1470 146 146 ARG H H 7.430 0.03 1
1471 146 146 ARG HA H 4.276 0.03 1
1472 146 146 ARG HB2 H 2.002 0.03 2
1473 146 146 ARG HB3 H 1.944 0.03 2
1474 146 146 ARG HG2 H 1.706 0.03 2
1475 146 146 ARG HG3 H 1.839 0.03 2
1476 146 146 ARG HD2 H 3.214 0.03 2
1477 146 146 ARG C C 176.620 0.30 1
1478 146 146 ARG CA C 57.280 0.30 1
1479 146 146 ARG CB C 30.660 0.30 1
1480 146 146 ARG CG C 27.429 0.30 1
1481 146 146 ARG CD C 43.853 0.30 1
1482 146 146 ARG N N 121.730 0.30 1
1483 147 147 GLY H H 7.894 0.03 1
1484 147 147 GLY HA2 H 3.647 0.03 2
1485 147 147 GLY HA3 H 3.941 0.03 2
1486 147 147 GLY CA C 46.720 0.30 1
1487 147 147 GLY N N 114.930 0.30 1
stop_
save_