data_15152
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Hydrogenase isoenzymes formation protein HypC
;
_BMRB_accession_number 15152
_BMRB_flat_file_name bmr15152.str
_Entry_type original
_Submission_date 2007-03-01
_Accession_date 2007-03-01
_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 Wang Lei . .
2 Jin Changwen . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 489
"13C chemical shifts" 362
"15N chemical shifts" 100
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-10-24 original author .
stop_
_Original_release_date 2007-10-24
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of hydrogenase isoenzymes formation protein HypC from Escherichia coli'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 17669368
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Wang Lei . .
2 Xia B. . .
3 Jin Changwen . .
stop_
_Journal_abbreviation 'Biochem Biophys Res Commun.'
_Journal_volume 361
_Journal_issue 3
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 665
_Page_last 669
_Year 2007
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name HypC
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
HypC $HypC
stop_
_System_molecular_weight 9594.40
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_HypC
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common HypC
_Molecular_mass 9742.051
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 90
_Mol_residue_sequence
;
MCIGVPGQIRTIDGNQAKVD
VCGIQRDVDLTLVGSCDENG
QPRVGQWVLVHVGFAMSVIN
EAEARDTLDALQNMFDVEPD
VGALLYGEEK
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 CYS 3 ILE 4 GLY 5 VAL
6 PRO 7 GLY 8 GLN 9 ILE 10 ARG
11 THR 12 ILE 13 ASP 14 GLY 15 ASN
16 GLN 17 ALA 18 LYS 19 VAL 20 ASP
21 VAL 22 CYS 23 GLY 24 ILE 25 GLN
26 ARG 27 ASP 28 VAL 29 ASP 30 LEU
31 THR 32 LEU 33 VAL 34 GLY 35 SER
36 CYS 37 ASP 38 GLU 39 ASN 40 GLY
41 GLN 42 PRO 43 ARG 44 VAL 45 GLY
46 GLN 47 TRP 48 VAL 49 LEU 50 VAL
51 HIS 52 VAL 53 GLY 54 PHE 55 ALA
56 MET 57 SER 58 VAL 59 ILE 60 ASN
61 GLU 62 ALA 63 GLU 64 ALA 65 ARG
66 ASP 67 THR 68 LEU 69 ASP 70 ALA
71 LEU 72 GLN 73 ASN 74 MET 75 PHE
76 ASP 77 VAL 78 GLU 79 PRO 80 ASP
81 VAL 82 GLY 83 ALA 84 LEU 85 LEU
86 TYR 87 GLY 88 GLU 89 GLU 90 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-10-21
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 2OT2 "Solution Structure Of Hypc" 100.00 90 100.00 100.00 1.70e-57
DBJ BAB37007 "hydrogenase isoenzyme HypC [Escherichia coli O157:H7 str. Sakai]" 100.00 90 100.00 100.00 1.70e-57
DBJ BAE76805 "protein required for maturation of hydrogenases 1 and 3 [Escherichia coli str. K12 substr. W3110]" 100.00 90 100.00 100.00 1.70e-57
DBJ BAG78500 "hydrogenase isoenzyme [Escherichia coli SE11]" 100.00 90 100.00 100.00 1.70e-57
DBJ BAI26986 "HypC protein [Escherichia coli O26:H11 str. 11368]" 100.00 90 100.00 100.00 1.70e-57
DBJ BAI32015 "HypC protein [Escherichia coli O103:H2 str. 12009]" 100.00 90 100.00 100.00 1.70e-57
EMBL CAA38414 "hydrogenase isoenzyme hypC [Escherichia coli]" 100.00 90 100.00 100.00 1.70e-57
EMBL CAP77164 "hydrogenase isoenzymes formation protein hypC [Escherichia coli LF82]" 100.00 90 100.00 100.00 1.70e-57
EMBL CAQ33060 "protein involved in hydrogenase 3 maturation [Escherichia coli BL21(DE3)]" 100.00 90 100.00 100.00 1.70e-57
EMBL CAQ87912 "protein required for maturation of hydrogenases 1 and 3 [Escherichia fergusonii ATCC 35469]" 100.00 90 100.00 100.00 1.70e-57
EMBL CAQ99647 "protein required for maturation of hydrogenases 1 and 3 [Escherichia coli IAI1]" 100.00 90 100.00 100.00 1.70e-57
GB AAA69238 "CG Site no. 33113; ORF_o90 [Escherichia coli str. K-12 substr. MG1655]" 100.00 90 100.00 100.00 1.70e-57
GB AAC75770 "hydrogenase maturation protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 90 100.00 100.00 1.70e-57
GB AAG57836 "pleiotrophic effects on 3 hydrogenase isozymes [Escherichia coli O157:H7 str. EDL933]" 100.00 90 100.00 100.00 1.70e-57
GB AAN44236 "hydrogenase isoenzyme HypC [Shigella flexneri 2a str. 301]" 100.00 90 100.00 100.00 1.70e-57
GB AAN81737 "Hydrogenase isoenzymes formation protein hypC [Escherichia coli CFT073]" 100.00 90 100.00 100.00 1.70e-57
REF NP_311611 "hydrogenase assembly chaperone [Escherichia coli O157:H7 str. Sakai]" 100.00 90 100.00 100.00 1.70e-57
REF NP_417208 "hydrogenase maturation protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 90 100.00 100.00 1.70e-57
REF NP_708529 "hydrogenase assembly chaperone [Shigella flexneri 2a str. 301]" 100.00 90 100.00 100.00 1.70e-57
REF WP_000334869 "MULTISPECIES: hydrogenase assembly chaperone [Escherichia]" 100.00 90 97.78 97.78 1.18e-55
REF WP_000334872 "MULTISPECIES: hydrogenase assembly protein HypC [Escherichia]" 100.00 90 98.89 98.89 7.81e-57
SP P0AAM3 "RecName: Full=Hydrogenase isoenzymes formation protein HypC" 100.00 90 100.00 100.00 1.70e-57
SP P0AAM4 "RecName: Full=Hydrogenase isoenzymes formation protein HypC" 100.00 90 100.00 100.00 1.70e-57
SP P0AAM5 "RecName: Full=Hydrogenase isoenzymes formation protein HypC" 100.00 90 100.00 100.00 1.70e-57
SP P0AAM6 "RecName: Full=Hydrogenase isoenzymes formation protein HypC" 100.00 90 100.00 100.00 1.70e-57
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
_Gene_mnemonic
$HypC 'E. coli' 562 Eubacteria . Escherichia coli K12 hypC
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
$HypC 'recombinant technology' . Escherichia coli . pET21a
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
$HypC 1 mM '[U-95% 15N]'
'potassium phosphate' 30 mM .
KCl 30 mM .
dithiothreitol 25 uM .
'sodium azide' 0.02 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HypC 1 mM '[U-95% 13C; U-95% 15N]'
'potassium phosphate' 30 mM .
KCl 30 mM .
dithiothreitol 25 uM .
'sodium azide' 0.02 % .
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
'data analysis'
processing
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
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_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_2
save_
save_3D_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_2
save_
save_3D_CBCA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_2
save_
save_3D_HBHA(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_2
save_
save_3D_HCCH-COSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY'
_Sample_label $sample_2
save_
save_3D_C(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_2
save_
save_3D_1H-15N_TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY'
_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_1
save_
save_3D_1H-13C_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C 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
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'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name HypC
_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 2 2 CYS HA H 4.170 0.03 1
2 2 2 CYS HB2 H 3.130 0.03 1
3 2 2 CYS HB3 H 3.130 0.03 1
4 2 2 CYS C C 182.149 0.3 1
5 2 2 CYS CA C 68.510 0.3 1
6 2 2 CYS CB C 38.760 0.3 1
7 3 3 ILE H H 8.099 0.03 1
8 3 3 ILE HA H 4.210 0.03 1
9 3 3 ILE HB H 1.626 0.03 1
10 3 3 ILE HG12 H 0.810 0.03 1
11 3 3 ILE HG13 H 1.192 0.03 1
12 3 3 ILE HG2 H 0.610 0.03 1
13 3 3 ILE HD1 H 0.609 0.03 1
14 3 3 ILE C C 184.030 0.3 1
15 3 3 ILE CA C 60.279 0.3 1
16 3 3 ILE CB C 40.220 0.3 1
17 3 3 ILE CG1 C 26.810 0.3 1
18 3 3 ILE CG2 C 17.514 0.3 1
19 3 3 ILE CD1 C 12.999 0.3 1
20 3 3 ILE N N 118.648 0.3 1
21 4 4 GLY H H 7.776 0.03 1
22 4 4 GLY HA2 H 4.003 0.03 1
23 4 4 GLY HA3 H 4.003 0.03 1
24 4 4 GLY C C 185.664 0.3 1
25 4 4 GLY CA C 43.811 0.3 1
26 4 4 GLY N N 107.830 0.3 1
27 5 5 VAL H H 8.523 0.03 1
28 5 5 VAL HA H 4.663 0.03 1
29 5 5 VAL HB H 1.965 0.03 1
30 5 5 VAL HG1 H 1.026 0.03 2
31 5 5 VAL HG2 H 1.026 0.03 2
32 5 5 VAL CA C 58.685 0.3 1
33 5 5 VAL CB C 35.311 0.3 1
34 5 5 VAL CG1 C 21.764 0.3 1
35 5 5 VAL CG2 C 21.764 0.3 1
36 5 5 VAL N N 119.271 0.3 1
37 6 6 PRO HA H 5.309 0.03 1
38 6 6 PRO HB2 H 2.104 0.03 2
39 6 6 PRO HB3 H 2.226 0.03 2
40 6 6 PRO HG2 H 1.815 0.03 2
41 6 6 PRO HG3 H 2.330 0.03 2
42 6 6 PRO HD2 H 3.571 0.03 2
43 6 6 PRO HD3 H 3.871 0.03 2
44 6 6 PRO C C 181.620 0.3 1
45 6 6 PRO CA C 62.936 0.3 1
46 6 6 PRO CB C 33.450 0.3 1
47 6 6 PRO CG C 28.405 0.3 1
48 6 6 PRO CD C 50.983 0.3 1
49 7 7 GLY H H 9.505 0.03 1
50 7 7 GLY HA2 H 3.422 0.03 2
51 7 7 GLY HA3 H 4.943 0.03 2
52 7 7 GLY C C 187.280 0.3 1
53 7 7 GLY CA C 45.930 0.3 1
54 7 7 GLY N N 109.868 0.3 1
55 8 8 GLN H H 7.870 0.03 1
56 8 8 GLN HA H 4.195 0.03 1
57 8 8 GLN HB2 H -0.653 0.03 2
58 8 8 GLN HB3 H 1.224 0.03 2
59 8 8 GLN HG2 H 0.682 0.03 2
60 8 8 GLN HG3 H 1.340 0.03 2
61 8 8 GLN HE21 H 7.455 0.03 2
62 8 8 GLN HE22 H 6.863 0.03 2
63 8 8 GLN C C 181.925 0.3 1
64 8 8 GLN CA C 53.639 0.3 1
65 8 8 GLN CB C 29.467 0.3 1
66 8 8 GLN CG C 32.655 0.3 1
67 8 8 GLN N N 122.443 0.3 1
68 8 8 GLN NE2 N 111.790 0.3 1
69 9 9 ILE H H 8.948 0.03 1
70 9 9 ILE HA H 3.585 0.03 1
71 9 9 ILE HB H 1.990 0.03 1
72 9 9 ILE HG12 H 0.557 0.03 1
73 9 9 ILE HG13 H 1.706 0.03 1
74 9 9 ILE HG2 H 0.628 0.03 1
75 9 9 ILE HD1 H 0.720 0.03 1
76 9 9 ILE C C 181.140 0.3 1
77 9 9 ILE CA C 64.264 0.3 1
78 9 9 ILE CB C 37.702 0.3 1
79 9 9 ILE CG1 C 28.936 0.3 1
80 9 9 ILE CG2 C 19.108 0.3 1
81 9 9 ILE CD1 C 14.858 0.3 1
82 9 9 ILE N N 128.616 0.3 1
83 10 10 ARG H H 9.410 0.03 1
84 10 10 ARG HA H 4.487 0.03 1
85 10 10 ARG HB2 H 1.786 0.03 1
86 10 10 ARG HB3 H 1.786 0.03 1
87 10 10 ARG HG2 H 1.597 0.03 1
88 10 10 ARG HG3 H 1.597 0.03 1
89 10 10 ARG HD2 H 2.965 0.03 2
90 10 10 ARG HD3 H 3.112 0.03 2
91 10 10 ARG HE H 7.408 0.03 1
92 10 10 ARG C C 181.934 0.3 1
93 10 10 ARG CA C 56.561 0.3 1
94 10 10 ARG CB C 31.061 0.3 1
95 10 10 ARG CG C 26.014 0.3 1
96 10 10 ARG CD C 42.217 0.3 1
97 10 10 ARG N N 131.108 0.3 1
98 10 10 ARG NE N 114.230 0.3 1
99 11 11 THR H H 7.504 0.03 1
100 11 11 THR HA H 4.547 0.03 1
101 11 11 THR HB H 4.069 0.03 1
102 11 11 THR HG2 H 1.103 0.03 1
103 11 11 THR C C 185.327 0.3 1
104 11 11 THR CA C 60.279 0.3 1
105 11 11 THR CB C 72.232 0.3 1
106 11 11 THR CG2 C 22.030 0.3 1
107 11 11 THR N N 109.472 0.3 1
108 12 12 ILE H H 8.589 0.03 1
109 12 12 ILE HA H 4.421 0.03 1
110 12 12 ILE HB H 1.458 0.03 1
111 12 12 ILE HG12 H 0.696 0.03 1
112 12 12 ILE HG13 H 1.282 0.03 1
113 12 12 ILE HG2 H 0.812 0.03 1
114 12 12 ILE HD1 H 0.836 0.03 1
115 12 12 ILE C C 183.387 0.3 1
116 12 12 ILE CA C 61.342 0.3 1
117 12 12 ILE CB C 42.217 0.3 1
118 12 12 ILE CG1 C 28.671 0.3 1
119 12 12 ILE CG2 C 18.577 0.3 1
120 12 12 ILE CD1 C 15.921 0.3 1
121 12 12 ILE N N 121.706 0.3 1
122 13 13 ASP H H 8.777 0.03 1
123 13 13 ASP HA H 4.760 0.03 1
124 13 13 ASP HB2 H 2.423 0.03 2
125 13 13 ASP HB3 H 2.707 0.03 2
126 13 13 ASP C C 181.760 0.3 1
127 13 13 ASP CA C 53.320 0.3 1
128 13 13 ASP CB C 42.217 0.3 1
129 13 13 ASP N N 128.673 0.3 1
130 14 14 GLY H H 8.993 0.03 1
131 14 14 GLY HA2 H 3.576 0.03 2
132 14 14 GLY HA3 H 3.968 0.03 2
133 14 14 GLY C C 183.708 0.3 1
134 14 14 GLY CA C 47.264 0.3 1
135 14 14 GLY N N 117.118 0.3 1
136 15 15 ASN H H 8.851 0.03 1
137 15 15 ASN HA H 4.820 0.03 1
138 15 15 ASN HB2 H 2.674 0.03 2
139 15 15 ASN HB3 H 2.941 0.03 2
140 15 15 ASN HD21 H 7.505 0.03 2
141 15 15 ASN HD22 H 7.017 0.03 2
142 15 15 ASN C C 184.216 0.3 1
143 15 15 ASN CA C 52.820 0.3 1
144 15 15 ASN CB C 39.030 0.3 1
145 15 15 ASN N N 124.935 0.3 1
146 15 15 ASN ND2 N 113.720 0.3 1
147 16 16 GLN H H 7.997 0.03 1
148 16 16 GLN HA H 4.780 0.03 1
149 16 16 GLN HB2 H 2.079 0.03 2
150 16 16 GLN HB3 H 2.142 0.03 2
151 16 16 GLN HG2 H 2.314 0.03 1
152 16 16 GLN HG3 H 2.314 0.03 1
153 16 16 GLN HE21 H 7.388 0.03 2
154 16 16 GLN HE22 H 6.608 0.03 2
155 16 16 GLN C C 183.512 0.3 1
156 16 16 GLN CA C 54.630 0.3 1
157 16 16 GLN CB C 30.790 0.3 1
158 16 16 GLN CG C 33.717 0.3 1
159 16 16 GLN N N 119.780 0.3 1
160 16 16 GLN NE2 N 111.796 0.3 1
161 17 17 ALA H H 9.208 0.03 1
162 17 17 ALA HA H 5.280 0.03 1
163 17 17 ALA HB H 1.217 0.03 1
164 17 17 ALA C C 180.348 0.3 1
165 17 17 ALA CA C 49.920 0.3 1
166 17 17 ALA CB C 23.624 0.3 1
167 17 17 ALA N N 125.331 0.3 1
168 18 18 LYS H H 8.219 0.03 1
169 18 18 LYS HA H 4.980 0.03 1
170 18 18 LYS HB2 H 1.433 0.03 2
171 18 18 LYS HB3 H 1.958 0.03 2
172 18 18 LYS HG2 H 1.267 0.03 2
173 18 18 LYS HG3 H 1.332 0.03 2
174 18 18 LYS HD2 H 1.622 0.03 2
175 18 18 LYS HD3 H 1.300 0.03 2
176 18 18 LYS HE2 H 2.832 0.03 1
177 18 18 LYS HE3 H 2.832 0.03 1
178 18 18 LYS C C 181.645 0.3 1
179 18 18 LYS CA C 54.436 0.3 1
180 18 18 LYS CB C 32.390 0.3 1
181 18 18 LYS CG C 24.150 0.3 1
182 18 18 LYS CD C 28.405 0.3 1
183 18 18 LYS CE C 42.217 0.3 1
184 18 18 LYS N N 120.517 0.3 1
185 19 19 VAL H H 9.241 0.03 1
186 19 19 VAL HA H 4.437 0.03 1
187 19 19 VAL HB H 1.670 0.03 1
188 19 19 VAL HG1 H 0.418 0.03 2
189 19 19 VAL HG2 H 0.608 0.03 2
190 19 19 VAL C C 181.965 0.3 1
191 19 19 VAL CA C 59.750 0.3 1
192 19 19 VAL CB C 35.310 0.3 1
193 19 19 VAL CG1 C 21.233 0.3 1
194 19 19 VAL CG2 C 23.757 0.3 1
195 19 19 VAL N N 125.784 0.3 1
196 20 20 ASP H H 8.707 0.03 1
197 20 20 ASP HA H 4.494 0.03 1
198 20 20 ASP HB2 H 2.262 0.03 2
199 20 20 ASP HB3 H 2.663 0.03 2
200 20 20 ASP C C 182.737 0.3 1
201 20 20 ASP CA C 54.436 0.3 1
202 20 20 ASP CB C 41.952 0.3 1
203 20 20 ASP N N 128.730 0.3 1
204 21 21 VAL H H 8.841 0.03 1
205 21 21 VAL HA H 4.560 0.03 1
206 21 21 VAL HB H 2.054 0.03 1
207 21 21 VAL HG1 H 0.760 0.03 2
208 21 21 VAL HG2 H 0.900 0.03 2
209 21 21 VAL C C 181.629 0.3 1
210 21 21 VAL CA C 61.340 0.3 1
211 21 21 VAL CB C 32.124 0.3 1
212 21 21 VAL CG1 C 20.968 0.3 1
213 21 21 VAL CG2 C 22.030 0.3 1
214 21 21 VAL N N 128.616 0.3 1
215 22 22 CYS H H 10.101 0.03 1
216 22 22 CYS HA H 4.017 0.03 1
217 22 22 CYS HB2 H 2.955 0.03 2
218 22 22 CYS HB3 H 3.233 0.03 2
219 22 22 CYS C C 183.192 0.3 1
220 22 22 CYS CA C 60.280 0.3 1
221 22 22 CYS CB C 26.280 0.3 1
222 22 22 CYS N N 124.990 0.3 1
223 23 23 GLY H H 8.567 0.03 1
224 23 23 GLY HA2 H 3.815 0.03 2
225 23 23 GLY HA3 H 4.233 0.03 2
226 23 23 GLY C C 183.593 0.3 1
227 23 23 GLY CA C 45.670 0.3 1
228 23 23 GLY N N 105.507 0.3 1
229 24 24 ILE H H 7.560 0.03 1
230 24 24 ILE HA H 4.272 0.03 1
231 24 24 ILE HB H 1.838 0.03 1
232 24 24 ILE HG12 H 1.148 0.03 1
233 24 24 ILE HG13 H 1.423 0.03 1
234 24 24 ILE HG2 H 0.825 0.03 1
235 24 24 ILE HD1 H 0.823 0.03 1
236 24 24 ILE C C 182.097 0.3 1
237 24 24 ILE CA C 59.217 0.3 1
238 24 24 ILE CB C 39.827 0.3 1
239 24 24 ILE CG1 C 27.340 0.3 1
240 24 24 ILE CG2 C 17.514 0.3 1
241 24 24 ILE CD1 C 12.200 0.3 1
242 24 24 ILE N N 122.330 0.3 1
243 25 25 GLN H H 8.707 0.03 1
244 25 25 GLN HA H 4.661 0.03 1
245 25 25 GLN HB2 H 1.811 0.03 2
246 25 25 GLN HB3 H 1.950 0.03 2
247 25 25 GLN HG2 H 1.965 0.03 2
248 25 25 GLN HG3 H 2.290 0.03 2
249 25 25 GLN HE21 H 7.683 0.03 2
250 25 25 GLN HE22 H 6.725 0.03 2
251 25 25 GLN C C 181.985 0.3 1
252 25 25 GLN CA C 56.560 0.3 1
253 25 25 GLN CB C 29.467 0.3 1
254 25 25 GLN CG C 35.311 0.3 1
255 25 25 GLN N N 127.030 0.3 1
256 25 25 GLN NE2 N 111.851 0.3 1
257 26 26 ARG H H 9.208 0.03 1
258 26 26 ARG HA H 4.664 0.03 1
259 26 26 ARG HB2 H 1.555 0.03 2
260 26 26 ARG HB3 H 1.836 0.03 2
261 26 26 ARG HG2 H 1.700 0.03 1
262 26 26 ARG HG3 H 1.700 0.03 1
263 26 26 ARG HD2 H 3.000 0.03 2
264 26 26 ARG HD3 H 3.160 0.03 2
265 26 26 ARG HE H 7.149 0.03 1
266 26 26 ARG C C 182.697 0.3 1
267 26 26 ARG CA C 53.506 0.3 1
268 26 26 ARG CB C 32.920 0.3 1
269 26 26 ARG CG C 26.280 0.3 1
270 26 26 ARG CD C 42.740 0.3 1
271 26 26 ARG N N 125.500 0.3 1
272 26 26 ARG NE N 114.060 0.3 1
273 27 27 ASP H H 8.505 0.03 1
274 27 27 ASP HA H 5.170 0.03 1
275 27 27 ASP HB2 H 2.485 0.03 2
276 27 27 ASP HB3 H 2.540 0.03 2
277 27 27 ASP C C 181.620 0.3 1
278 27 27 ASP CA C 54.701 0.3 1
279 27 27 ASP CB C 41.420 0.3 1
280 27 27 ASP N N 123.350 0.3 1
281 28 28 VAL H H 9.054 0.03 1
282 28 28 VAL HA H 4.220 0.03 1
283 28 28 VAL HB H 1.576 0.03 1
284 28 28 VAL HG1 H 0.598 0.03 2
285 28 28 VAL HG2 H 0.598 0.03 2
286 28 28 VAL C C 185.044 0.3 1
287 28 28 VAL CA C 60.545 0.3 1
288 28 28 VAL CB C 36.905 0.3 1
289 28 28 VAL CG1 C 23.360 0.3 1
290 28 28 VAL CG2 C 23.360 0.3 1
291 28 28 VAL N N 124.760 0.3 1
292 29 29 ASP H H 8.346 0.03 1
293 29 29 ASP HA H 4.780 0.03 1
294 29 29 ASP HB2 H 2.299 0.03 2
295 29 29 ASP HB3 H 2.188 0.03 2
296 29 29 ASP C C 179.032 0.3 1
297 29 29 ASP CA C 53.940 0.3 1
298 29 29 ASP CB C 42.480 0.3 1
299 29 29 ASP N N 127.484 0.3 1
300 30 30 LEU H H 9.352 0.03 1
301 30 30 LEU HA H 4.540 0.03 1
302 30 30 LEU HB2 H 1.584 0.03 2
303 30 30 LEU HB3 H 1.537 0.03 2
304 30 30 LEU HG H 1.520 0.03 1
305 30 30 LEU HD1 H 0.710 0.03 2
306 30 30 LEU HD2 H 0.430 0.03 2
307 30 30 LEU C C 180.318 0.3 1
308 30 30 LEU CA C 54.967 0.3 1
309 30 30 LEU CB C 40.890 0.3 1
310 30 30 LEU CG C 25.750 0.3 1
311 30 30 LEU CD1 C 27.608 0.3 1
312 30 30 LEU CD2 C 21.764 0.3 1
313 30 30 LEU N N 128.277 0.3 1
314 31 31 THR H H 9.536 0.03 1
315 31 31 THR HA H 3.714 0.03 1
316 31 31 THR HB H 4.082 0.03 1
317 31 31 THR HG2 H 1.300 0.03 1
318 31 31 THR C C 181.547 0.3 1
319 31 31 THR CA C 68.780 0.3 1
320 31 31 THR CB C 69.576 0.3 1
321 31 31 THR CG2 C 21.500 0.3 1
322 31 31 THR N N 118.930 0.3 1
323 32 32 LEU H H 9.593 0.03 1
324 32 32 LEU HA H 4.202 0.03 1
325 32 32 LEU HB2 H 1.611 0.03 2
326 32 32 LEU HB3 H 2.065 0.03 2
327 32 32 LEU HG H 1.775 0.03 1
328 32 32 LEU HD1 H 0.926 0.03 2
329 32 32 LEU HD2 H 0.860 0.03 2
330 32 32 LEU C C 178.591 0.3 1
331 32 32 LEU CA C 57.623 0.3 1
332 32 32 LEU CB C 41.155 0.3 1
333 32 32 LEU CG C 27.340 0.3 1
334 32 32 LEU CD1 C 25.220 0.3 1
335 32 32 LEU CD2 C 22.823 0.3 1
336 32 32 LEU N N 118.870 0.3 1
337 33 33 VAL H H 7.125 0.03 1
338 33 33 VAL HA H 4.535 0.03 1
339 33 33 VAL HB H 2.217 0.03 1
340 33 33 VAL HG1 H 0.800 0.03 2
341 33 33 VAL HG2 H 0.684 0.03 2
342 33 33 VAL C C 180.931 0.3 1
343 33 33 VAL CA C 60.678 0.3 1
344 33 33 VAL CB C 33.186 0.3 1
345 33 33 VAL CG1 C 18.310 0.3 1
346 33 33 VAL CG2 C 21.500 0.3 1
347 33 33 VAL N N 107.660 0.3 1
348 34 34 GLY H H 8.336 0.03 1
349 34 34 GLY HA2 H 3.778 0.03 2
350 34 34 GLY HA3 H 4.587 0.03 2
351 34 34 GLY C C 183.907 0.3 1
352 34 34 GLY CA C 44.340 0.3 1
353 34 34 GLY N N 113.320 0.3 1
354 35 35 SER H H 8.723 0.03 1
355 35 35 SER HA H 4.180 0.03 1
356 35 35 SER HB2 H 4.005 0.03 2
357 35 35 SER HB3 H 3.920 0.03 2
358 35 35 SER C C 183.459 0.3 1
359 35 35 SER CA C 60.010 0.3 1
360 35 35 SER CB C 63.733 0.3 1
361 35 35 SER N N 118.760 0.3 1
362 36 36 CYS H H 7.838 0.03 1
363 36 36 CYS HA H 5.050 0.03 1
364 36 36 CYS HB2 H 2.282 0.03 2
365 36 36 CYS HB3 H 2.738 0.03 2
366 36 36 CYS C C 184.372 0.3 1
367 36 36 CYS CA C 56.030 0.3 1
368 36 36 CYS CB C 31.327 0.3 1
369 36 36 CYS N N 116.610 0.3 1
370 37 37 ASP H H 8.555 0.03 1
371 37 37 ASP HA H 4.510 0.03 1
372 37 37 ASP HB2 H 2.621 0.03 2
373 37 37 ASP HB3 H 3.308 0.03 2
374 37 37 ASP C C 179.979 0.3 1
375 37 37 ASP CA C 52.310 0.3 1
376 37 37 ASP CB C 41.951 0.3 1
377 37 37 ASP N N 120.177 0.3 1
378 38 38 GLU H H 9.766 0.03 1
379 38 38 GLU HA H 4.177 0.03 1
380 38 38 GLU HB2 H 2.070 0.03 2
381 38 38 GLU HB3 H 2.127 0.03 2
382 38 38 GLU HG2 H 2.380 0.03 1
383 38 38 GLU HG3 H 2.380 0.03 1
384 38 38 GLU C C 180.776 0.3 1
385 38 38 GLU CA C 58.951 0.3 1
386 38 38 GLU CB C 28.405 0.3 1
387 38 38 GLU CG C 35.840 0.3 1
388 38 38 GLU N N 119.214 0.3 1
389 39 39 ASN H H 8.360 0.03 1
390 39 39 ASN HA H 4.943 0.03 1
391 39 39 ASN HB2 H 2.840 0.03 2
392 39 39 ASN HB3 H 3.029 0.03 2
393 39 39 ASN HD21 H 6.992 0.03 2
394 39 39 ASN HD22 H 7.849 0.03 2
395 39 39 ASN C C 181.879 0.3 1
396 39 39 ASN CA C 52.842 0.3 1
397 39 39 ASN CB C 39.560 0.3 1
398 39 39 ASN N N 118.530 0.3 1
399 39 39 ASN ND2 N 115.532 0.3 1
400 40 40 GLY H H 8.290 0.03 1
401 40 40 GLY HA2 H 3.695 0.03 2
402 40 40 GLY HA3 H 4.204 0.03 2
403 40 40 GLY C C 183.670 0.3 1
404 40 40 GLY CA C 45.670 0.3 1
405 40 40 GLY N N 109.530 0.3 1
406 41 41 GLN H H 8.258 0.03 1
407 41 41 GLN HA H 4.720 0.03 1
408 41 41 GLN HB2 H 2.100 0.03 1
409 41 41 GLN HB3 H 2.100 0.03 1
410 41 41 GLN HG2 H 2.260 0.03 2
411 41 41 GLN HG3 H 2.410 0.03 2
412 41 41 GLN HE21 H 7.559 0.03 2
413 41 41 GLN HE22 H 6.925 0.03 2
414 41 41 GLN CA C 52.810 0.3 1
415 41 41 GLN CB C 28.670 0.3 1
416 41 41 GLN CG C 33.450 0.3 1
417 41 41 GLN N N 121.930 0.3 1
418 41 41 GLN NE2 N 113.776 0.3 1
419 42 42 PRO HA H 4.880 0.03 1
420 42 42 PRO HB2 H 1.860 0.03 2
421 42 42 PRO HB3 H 2.400 0.03 2
422 42 42 PRO HG2 H 2.066 0.03 2
423 42 42 PRO HG3 H 2.170 0.03 2
424 42 42 PRO HD2 H 3.685 0.03 2
425 42 42 PRO HD3 H 4.082 0.03 2
426 42 42 PRO C C 178.521 0.3 1
427 42 42 PRO CA C 63.200 0.3 1
428 42 42 PRO CB C 33.186 0.3 1
429 42 42 PRO CG C 28.140 0.3 1
430 42 42 PRO CD C 50.980 0.3 1
431 43 43 ARG H H 7.916 0.03 1
432 43 43 ARG HA H 4.170 0.03 1
433 43 43 ARG HB2 H 1.115 0.03 2
434 43 43 ARG HB3 H 2.006 0.03 2
435 43 43 ARG HG2 H 1.145 0.03 2
436 43 43 ARG HG3 H 1.342 0.03 2
437 43 43 ARG HD2 H 2.816 0.03 2
438 43 43 ARG HD3 H 3.028 0.03 2
439 43 43 ARG HE H 6.642 0.03 1
440 43 43 ARG C C 182.298 0.3 1
441 43 43 ARG CA C 57.890 0.3 1
442 43 43 ARG CB C 29.467 0.3 1
443 43 43 ARG CG C 28.405 0.3 1
444 43 43 ARG CD C 43.540 0.3 1
445 43 43 ARG N N 123.236 0.3 1
446 43 43 ARG NE N 114.966 0.3 1
447 44 44 VAL H H 6.742 0.03 1
448 44 44 VAL HA H 3.050 0.03 1
449 44 44 VAL HB H 1.855 0.03 1
450 44 44 VAL HG1 H 0.890 0.03 2
451 44 44 VAL HG2 H 0.900 0.03 2
452 44 44 VAL C C 180.685 0.3 1
453 44 44 VAL CA C 65.858 0.3 1
454 44 44 VAL CB C 31.858 0.3 1
455 44 44 VAL CG1 C 21.670 0.3 1
456 44 44 VAL CG2 C 22.030 0.3 1
457 44 44 VAL N N 120.290 0.3 1
458 45 45 GLY H H 8.486 0.03 1
459 45 45 GLY HA2 H 3.544 0.03 2
460 45 45 GLY HA3 H 4.380 0.03 2
461 45 45 GLY C C 183.124 0.3 1
462 45 45 GLY CA C 45.140 0.3 1
463 45 45 GLY N N 116.380 0.3 1
464 46 46 GLN H H 7.781 0.03 1
465 46 46 GLN HA H 4.487 0.03 1
466 46 46 GLN HB2 H 2.128 0.03 2
467 46 46 GLN HB3 H 2.284 0.03 2
468 46 46 GLN HG2 H 2.296 0.03 1
469 46 46 GLN HG3 H 2.296 0.03 1
470 46 46 GLN HE21 H 7.300 0.03 2
471 46 46 GLN HE22 H 6.515 0.03 2
472 46 46 GLN C C 183.150 0.3 1
473 46 46 GLN CA C 56.560 0.3 1
474 46 46 GLN CB C 29.200 0.3 1
475 46 46 GLN CG C 35.311 0.3 1
476 46 46 GLN N N 120.170 0.3 1
477 46 46 GLN NE2 N 109.585 0.3 1
478 47 47 TRP H H 8.939 0.03 1
479 47 47 TRP HA H 5.240 0.03 1
480 47 47 TRP HB2 H 2.756 0.03 2
481 47 47 TRP HB3 H 3.200 0.03 2
482 47 47 TRP HD1 H 7.353 0.03 1
483 47 47 TRP HE1 H 10.355 0.03 1
484 47 47 TRP HE3 H 7.160 0.03 1
485 47 47 TRP HZ2 H 7.318 0.03 1
486 47 47 TRP HZ3 H 6.860 0.03 1
487 47 47 TRP HH2 H 7.063 0.03 1
488 47 47 TRP C C 181.809 0.3 1
489 47 47 TRP CA C 56.300 0.3 1
490 47 47 TRP CB C 30.264 0.3 1
491 47 47 TRP CD1 C 126.228 0.3 1
492 47 47 TRP CE3 C 120.062 0.3 1
493 47 47 TRP CZ2 C 114.555 0.3 1
494 47 47 TRP CZ3 C 118.891 0.3 1
495 47 47 TRP CH2 C 124.398 0.3 1
496 47 47 TRP N N 122.273 0.3 1
497 47 47 TRP NE1 N 130.429 0.3 1
498 48 48 VAL H H 9.265 0.03 1
499 48 48 VAL HA H 5.554 0.03 1
500 48 48 VAL HB H 2.040 0.03 1
501 48 48 VAL HG1 H 0.610 0.03 2
502 48 48 VAL HG2 H 0.876 0.03 2
503 48 48 VAL C C 182.127 0.3 1
504 48 48 VAL CA C 56.826 0.3 1
505 48 48 VAL CB C 36.370 0.3 1
506 48 48 VAL CG1 C 18.046 0.3 1
507 48 48 VAL CG2 C 23.360 0.3 1
508 48 48 VAL N N 111.340 0.3 1
509 49 49 LEU H H 7.800 0.03 1
510 49 49 LEU HA H 4.476 0.03 1
511 49 49 LEU HB2 H 1.190 0.03 2
512 49 49 LEU HB3 H 1.570 0.03 2
513 49 49 LEU HG H 1.425 0.03 1
514 49 49 LEU HD1 H 0.696 0.03 2
515 49 49 LEU HD2 H 0.639 0.03 2
516 49 49 LEU C C 181.445 0.3 1
517 49 49 LEU CA C 53.639 0.3 1
518 49 49 LEU CB C 43.280 0.3 1
519 49 49 LEU CG C 26.810 0.3 1
520 49 49 LEU CD1 C 24.950 0.3 1
521 49 49 LEU CD2 C 23.358 0.3 1
522 49 49 LEU N N 119.950 0.3 1
523 50 50 VAL H H 9.116 0.03 1
524 50 50 VAL HA H 4.610 0.03 1
525 50 50 VAL HB H 2.168 0.03 1
526 50 50 VAL HG1 H 0.760 0.03 2
527 50 50 VAL HG2 H 0.830 0.03 2
528 50 50 VAL C C 181.989 0.3 1
529 50 50 VAL CA C 62.404 0.3 1
530 50 50 VAL CB C 32.920 0.3 1
531 50 50 VAL CG1 C 22.560 0.3 1
532 50 50 VAL CG2 C 22.830 0.3 1
533 50 50 VAL N N 125.670 0.3 1
534 51 51 HIS H H 9.252 0.03 1
535 51 51 HIS HA H 5.043 0.03 1
536 51 51 HIS HB2 H 2.955 0.03 2
537 51 51 HIS HB3 H 3.280 0.03 2
538 51 51 HIS HD2 H 7.064 0.03 1
539 51 51 HIS C C 183.827 0.3 1
540 51 51 HIS CA C 56.295 0.3 1
541 51 51 HIS CB C 33.452 0.3 1
542 51 51 HIS CD2 C 120.414 0.3 1
543 51 51 HIS N N 128.956 0.3 1
544 52 52 VAL H H 8.980 0.03 1
545 52 52 VAL HA H 3.470 0.03 1
546 52 52 VAL HB H 2.244 0.03 1
547 52 52 VAL HG1 H 0.495 0.03 2
548 52 52 VAL HG2 H 0.710 0.03 2
549 52 52 VAL C C 182.417 0.3 1
550 52 52 VAL CA C 62.936 0.3 1
551 52 52 VAL CB C 30.796 0.3 1
552 52 52 VAL CG1 C 20.160 0.3 1
553 52 52 VAL CG2 C 22.561 0.3 1
554 52 52 VAL N N 125.275 0.3 1
555 53 53 GLY H H 8.346 0.03 1
556 53 53 GLY HA2 H 3.690 0.03 2
557 53 53 GLY HA3 H 4.110 0.03 2
558 53 53 GLY C C 183.634 0.3 1
559 53 53 GLY CA C 45.670 0.3 1
560 53 53 GLY N N 104.600 0.3 1
561 54 54 PHE H H 8.589 0.03 1
562 54 54 PHE HA H 5.100 0.03 1
563 54 54 PHE HB2 H 3.000 0.03 2
564 54 54 PHE HB3 H 3.170 0.03 2
565 54 54 PHE HD1 H 7.407 0.03 3
566 54 54 PHE HE1 H 7.342 0.03 3
567 54 54 PHE C C 182.978 0.3 1
568 54 54 PHE CA C 57.620 0.3 1
569 54 54 PHE CB C 42.748 0.3 1
570 54 54 PHE CD1 C 131.899 0.3 1
571 54 54 PHE CE1 C 131.899 0.3 1
572 54 54 PHE N N 121.140 0.3 1
573 55 55 ALA H H 7.619 0.03 1
574 55 55 ALA HA H 4.821 0.03 1
575 55 55 ALA HB H 1.220 0.03 1
576 55 55 ALA C C 181.358 0.3 1
577 55 55 ALA CA C 50.490 0.3 1
578 55 55 ALA CB C 19.370 0.3 1
579 55 55 ALA N N 122.839 0.3 1
580 56 56 MET H H 9.486 0.03 1
581 56 56 MET HA H 4.650 0.03 1
582 56 56 MET HB2 H 1.920 0.03 2
583 56 56 MET HB3 H 2.156 0.03 2
584 56 56 MET HG2 H 2.779 0.03 2
585 56 56 MET HG3 H 2.580 0.03 2
586 56 56 MET C C 181.081 0.3 1
587 56 56 MET CA C 55.498 0.3 1
588 56 56 MET CB C 33.452 0.3 1
589 56 56 MET CG C 32.650 0.3 1
590 56 56 MET N N 122.500 0.3 1
591 57 57 SER H H 7.187 0.03 1
592 57 57 SER HA H 4.440 0.03 1
593 57 57 SER HB2 H 3.830 0.03 2
594 57 57 SER HB3 H 3.738 0.03 2
595 57 57 SER C C 185.136 0.3 1
596 57 57 SER CA C 57.358 0.3 1
597 57 57 SER CB C 64.530 0.3 1
598 57 57 SER N N 108.565 0.3 1
599 58 58 VAL H H 8.739 0.03 1
600 58 58 VAL HA H 4.839 0.03 1
601 58 58 VAL HB H 2.015 0.03 1
602 58 58 VAL HG1 H 0.877 0.03 2
603 58 58 VAL HG2 H 1.110 0.03 2
604 58 58 VAL C C 181.378 0.3 1
605 58 58 VAL CA C 62.350 0.3 1
606 58 58 VAL CB C 32.655 0.3 1
607 58 58 VAL CG1 C 20.700 0.3 1
608 58 58 VAL CG2 C 20.700 0.3 1
609 58 58 VAL N N 124.820 0.3 1
610 59 59 ILE H H 8.575 0.03 1
611 59 59 ILE HA H 4.830 0.03 1
612 59 59 ILE HB H 1.920 0.03 1
613 59 59 ILE HG12 H 0.767 0.03 1
614 59 59 ILE HG13 H 1.370 0.03 1
615 59 59 ILE HG2 H 0.763 0.03 1
616 59 59 ILE HD1 H 0.646 0.03 1
617 59 59 ILE C C 183.567 0.3 1
618 59 59 ILE CA C 59.250 0.3 1
619 59 59 ILE CB C 41.420 0.3 1
620 59 59 ILE CG1 C 26.014 0.3 1
621 59 59 ILE CG2 C 18.040 0.3 1
622 59 59 ILE CD1 C 13.530 0.3 1
623 59 59 ILE N N 123.518 0.3 1
624 60 60 ASN H H 8.745 0.03 1
625 60 60 ASN HA H 4.856 0.03 1
626 60 60 ASN HB2 H 2.890 0.03 2
627 60 60 ASN HB3 H 3.125 0.03 2
628 60 60 ASN HD21 H 6.951 0.03 2
629 60 60 ASN HD22 H 7.649 0.03 2
630 60 60 ASN C C 182.397 0.3 1
631 60 60 ASN CA C 52.280 0.3 1
632 60 60 ASN CB C 39.560 0.3 1
633 60 60 ASN N N 119.720 0.3 1
634 60 60 ASN ND2 N 113.890 0.3 1
635 61 61 GLU H H 8.723 0.03 1
636 61 61 GLU HA H 2.881 0.03 1
637 61 61 GLU HB2 H 1.940 0.03 2
638 61 61 GLU HB3 H 2.079 0.03 2
639 61 61 GLU HG2 H 1.996 0.03 2
640 61 61 GLU HG3 H 2.077 0.03 2
641 61 61 GLU C C 180.606 0.3 1
642 61 61 GLU CA C 59.748 0.3 1
643 61 61 GLU CB C 29.467 0.3 1
644 61 61 GLU CG C 36.370 0.3 1
645 61 61 GLU N N 121.140 0.3 1
646 62 62 ALA H H 8.201 0.03 1
647 62 62 ALA HA H 3.923 0.03 1
648 62 62 ALA HB H 1.369 0.03 1
649 62 62 ALA C C 177.769 0.3 1
650 62 62 ALA CA C 55.498 0.3 1
651 62 62 ALA CB C 18.046 0.3 1
652 62 62 ALA N N 122.500 0.3 1
653 63 63 GLU H H 7.839 0.03 1
654 63 63 GLU HA H 4.037 0.03 1
655 63 63 GLU HB2 H 1.870 0.03 2
656 63 63 GLU HB3 H 2.129 0.03 2
657 63 63 GLU HG2 H 2.359 0.03 2
658 63 63 GLU HG3 H 2.131 0.03 2
659 63 63 GLU C C 178.113 0.3 1
660 63 63 GLU CA C 58.686 0.3 1
661 63 63 GLU CB C 29.470 0.3 1
662 63 63 GLU CG C 36.905 0.3 1
663 63 63 GLU N N 119.160 0.3 1
664 64 64 ALA H H 8.143 0.03 1
665 64 64 ALA HA H 3.515 0.03 1
666 64 64 ALA HB H 0.555 0.03 1
667 64 64 ALA C C 179.207 0.3 1
668 64 64 ALA CA C 55.500 0.3 1
669 64 64 ALA CB C 17.780 0.3 1
670 64 64 ALA N N 124.370 0.3 1
671 65 65 ARG H H 7.928 0.03 1
672 65 65 ARG HA H 3.740 0.03 1
673 65 65 ARG HB2 H 1.773 0.03 2
674 65 65 ARG HB3 H 1.842 0.03 2
675 65 65 ARG HG2 H 1.500 0.03 2
676 65 65 ARG HG3 H 1.600 0.03 2
677 65 65 ARG HD2 H 3.105 0.03 1
678 65 65 ARG HD3 H 3.105 0.03 1
679 65 65 ARG HE H 7.383 0.03 1
680 65 65 ARG C C 184.234 0.3 1
681 65 65 ARG CA C 58.950 0.3 1
682 65 65 ARG CB C 29.467 0.3 1
683 65 65 ARG CG C 27.077 0.3 1
684 65 65 ARG CD C 43.150 0.3 1
685 65 65 ARG N N 118.138 0.3 1
686 65 65 ARG NE N 114.965 0.3 1
687 66 66 ASP H H 8.003 0.03 1
688 66 66 ASP HA H 4.373 0.03 1
689 66 66 ASP HB2 H 2.701 0.03 2
690 66 66 ASP HB3 H 2.653 0.03 2
691 66 66 ASP C C 178.282 0.3 1
692 66 66 ASP CA C 57.225 0.3 1
693 66 66 ASP CB C 40.358 0.3 1
694 66 66 ASP N N 120.347 0.3 1
695 67 67 THR H H 8.263 0.03 1
696 67 67 THR HA H 3.990 0.03 1
697 67 67 THR HB H 4.183 0.03 1
698 67 67 THR HG2 H 1.190 0.03 1
699 67 67 THR C C 181.650 0.3 1
700 67 67 THR CA C 66.654 0.3 1
701 67 67 THR CB C 68.510 0.3 1
702 67 67 THR CG2 C 21.764 0.3 1
703 67 67 THR N N 118.760 0.3 1
704 68 68 LEU H H 8.415 0.03 1
705 68 68 LEU HA H 4.016 0.03 1
706 68 68 LEU HB2 H 1.507 0.03 2
707 68 68 LEU HB3 H 1.855 0.03 2
708 68 68 LEU HG H 1.620 0.03 1
709 68 68 LEU HD1 H 0.900 0.03 2
710 68 68 LEU HD2 H 1.002 0.03 2
711 68 68 LEU C C 181.676 0.3 1
712 68 68 LEU CA C 58.420 0.3 1
713 68 68 LEU CB C 41.686 0.3 1
714 68 68 LEU CG C 27.608 0.3 1
715 68 68 LEU CD1 C 25.480 0.3 1
716 68 68 LEU CD2 C 23.620 0.3 1
717 68 68 LEU N N 123.240 0.3 1
718 69 69 ASP H H 8.161 0.03 1
719 69 69 ASP HA H 4.407 0.03 1
720 69 69 ASP HB2 H 2.662 0.03 2
721 69 69 ASP HB3 H 2.776 0.03 2
722 69 69 ASP C C 179.453 0.3 1
723 69 69 ASP CA C 57.358 0.3 1
724 69 69 ASP CB C 40.680 0.3 1
725 69 69 ASP N N 120.234 0.3 1
726 70 70 ALA H H 7.681 0.03 1
727 70 70 ALA HA H 4.208 0.03 1
728 70 70 ALA HB H 1.544 0.03 1
729 70 70 ALA C C 177.300 0.3 1
730 70 70 ALA CA C 54.700 0.3 1
731 70 70 ALA CB C 18.310 0.3 1
732 70 70 ALA N N 122.500 0.3 1
733 71 71 LEU H H 8.136 0.03 1
734 71 71 LEU HA H 4.178 0.03 1
735 71 71 LEU HB2 H 1.552 0.03 2
736 71 71 LEU HB3 H 1.902 0.03 2
737 71 71 LEU HG H 0.990 0.03 1
738 71 71 LEU HD1 H 0.930 0.03 2
739 71 71 LEU HD2 H 0.930 0.03 2
740 71 71 LEU C C 180.171 0.3 1
741 71 71 LEU CA C 57.090 0.3 1
742 71 71 LEU CB C 42.480 0.3 1
743 71 71 LEU CG C 26.280 0.3 1
744 71 71 LEU CD1 C 23.360 0.3 1
745 71 71 LEU CD2 C 23.360 0.3 1
746 71 71 LEU N N 119.890 0.3 1
747 72 72 GLN H H 7.998 0.03 1
748 72 72 GLN HA H 4.144 0.03 1
749 72 72 GLN HB2 H 2.169 0.03 1
750 72 72 GLN HB3 H 2.169 0.03 1
751 72 72 GLN HG2 H 2.520 0.03 2
752 72 72 GLN HG3 H 2.450 0.03 2
753 72 72 GLN HE21 H 7.453 0.03 2
754 72 72 GLN HE22 H 6.862 0.03 2
755 72 72 GLN C C 181.025 0.3 1
756 72 72 GLN CA C 57.623 0.3 1
757 72 72 GLN CB C 28.940 0.3 1
758 72 72 GLN CG C 34.250 0.3 1
759 72 72 GLN N N 118.138 0.3 1
760 72 72 GLN NE2 N 112.417 0.3 1
761 73 73 ASN H H 7.907 0.03 1
762 73 73 ASN HA H 4.670 0.03 1
763 73 73 ASN HB2 H 2.734 0.03 2
764 73 73 ASN HB3 H 2.854 0.03 2
765 73 73 ASN HD21 H 7.628 0.03 2
766 73 73 ASN HD22 H 6.918 0.03 2
767 73 73 ASN C C 179.099 0.3 1
768 73 73 ASN CA C 54.170 0.3 1
769 73 73 ASN CB C 39.290 0.3 1
770 73 73 ASN N N 117.000 0.3 1
771 73 73 ASN ND2 N 114.280 0.3 1
772 74 74 MET H H 7.782 0.03 1
773 74 74 MET HA H 4.340 0.03 1
774 74 74 MET HB2 H 1.994 0.03 1
775 74 74 MET HB3 H 1.994 0.03 1
776 74 74 MET HG2 H 2.560 0.03 2
777 74 74 MET HG3 H 2.455 0.03 2
778 74 74 MET C C 178.440 0.3 1
779 74 74 MET CA C 56.295 0.3 1
780 74 74 MET CB C 33.190 0.3 1
781 74 74 MET CG C 32.120 0.3 1
782 74 74 MET N N 120.010 0.3 1
783 75 75 PHE H H 8.114 0.03 1
784 75 75 PHE HA H 4.656 0.03 1
785 75 75 PHE HB2 H 3.030 0.03 2
786 75 75 PHE HB3 H 3.240 0.03 2
787 75 75 PHE HD1 H 7.292 0.03 3
788 75 75 PHE HE1 H 7.356 0.03 3
789 75 75 PHE C C 182.078 0.3 1
790 75 75 PHE CA C 57.960 0.3 1
791 75 75 PHE CB C 39.560 0.3 1
792 75 75 PHE CD1 C 131.780 0.3 1
793 75 75 PHE CE1 C 131.899 0.3 1
794 75 75 PHE N N 120.460 0.3 1
795 76 76 ASP H H 8.257 0.03 1
796 76 76 ASP HA H 4.636 0.03 1
797 76 76 ASP HB2 H 2.712 0.03 2
798 76 76 ASP HB3 H 2.600 0.03 2
799 76 76 ASP C C 181.967 0.3 1
800 76 76 ASP CA C 54.436 0.3 1
801 76 76 ASP CB C 41.420 0.3 1
802 76 76 ASP N N 121.080 0.3 1
803 77 77 VAL H H 7.858 0.03 1
804 77 77 VAL HA H 4.220 0.03 1
805 77 77 VAL HB H 2.111 0.03 1
806 77 77 VAL HG1 H 0.935 0.03 2
807 77 77 VAL HG2 H 0.940 0.03 2
808 77 77 VAL C C 181.709 0.3 1
809 77 77 VAL CA C 61.610 0.3 1
810 77 77 VAL CB C 33.452 0.3 1
811 77 77 VAL CG1 C 20.702 0.3 1
812 77 77 VAL CG2 C 21.230 0.3 1
813 77 77 VAL N N 118.420 0.3 1
814 78 78 GLU H H 8.555 0.03 1
815 78 78 GLU HA H 4.580 0.03 1
816 78 78 GLU HB2 H 1.957 0.03 2
817 78 78 GLU HB3 H 2.128 0.03 2
818 78 78 GLU HG2 H 2.350 0.03 1
819 78 78 GLU HG3 H 2.350 0.03 1
820 78 78 GLU CA C 54.700 0.3 1
821 78 78 GLU CB C 29.470 0.3 1
822 78 78 GLU CG C 36.370 0.3 1
823 78 78 GLU N N 126.070 0.3 1
824 79 79 PRO HA H 4.374 0.03 1
825 79 79 PRO HB2 H 1.917 0.03 2
826 79 79 PRO HB3 H 2.297 0.03 2
827 79 79 PRO HG2 H 2.028 0.03 1
828 79 79 PRO HG3 H 2.028 0.03 1
829 79 79 PRO HD2 H 3.800 0.03 1
830 79 79 PRO HD3 H 3.800 0.03 1
831 79 79 PRO C C 180.310 0.3 1
832 79 79 PRO CA C 64.264 0.3 1
833 79 79 PRO CB C 32.120 0.3 1
834 79 79 PRO CG C 27.340 0.3 1
835 79 79 PRO CD C 50.717 0.3 1
836 80 80 ASP H H 8.604 0.03 1
837 80 80 ASP HA H 4.573 0.03 1
838 80 80 ASP HB2 H 2.633 0.03 2
839 80 80 ASP HB3 H 2.727 0.03 2
840 80 80 ASP C C 180.477 0.3 1
841 80 80 ASP CA C 55.100 0.3 1
842 80 80 ASP CB C 40.889 0.3 1
843 80 80 ASP N N 120.011 0.3 1
844 81 81 VAL H H 7.950 0.03 1
845 81 81 VAL HA H 3.968 0.03 1
846 81 81 VAL HB H 2.192 0.03 1
847 81 81 VAL HG1 H 0.996 0.03 2
848 81 81 VAL HG2 H 0.933 0.03 2
849 81 81 VAL C C 180.276 0.3 1
850 81 81 VAL CA C 64.000 0.3 1
851 81 81 VAL CB C 32.390 0.3 1
852 81 81 VAL CG1 C 21.200 0.3 1
853 81 81 VAL CG2 C 21.233 0.3 1
854 81 81 VAL N N 121.370 0.3 1
855 82 82 GLY H H 8.530 0.03 1
856 82 82 GLY HA2 H 3.767 0.03 2
857 82 82 GLY HA3 H 3.929 0.03 2
858 82 82 GLY C C 183.069 0.3 1
859 82 82 GLY CA C 46.200 0.3 1
860 82 82 GLY N N 110.550 0.3 1
861 83 83 ALA H H 7.978 0.03 1
862 83 83 ALA HA H 4.210 0.03 1
863 83 83 ALA HB H 1.400 0.03 1
864 83 83 ALA C C 179.081 0.3 1
865 83 83 ALA CA C 53.640 0.3 1
866 83 83 ALA CB C 19.100 0.3 1
867 83 83 ALA N N 123.575 0.3 1
868 84 84 LEU H H 7.737 0.03 1
869 84 84 LEU HA H 4.220 0.03 1
870 84 84 LEU HB2 H 1.460 0.03 2
871 84 84 LEU HB3 H 1.766 0.03 2
872 84 84 LEU HG H 1.686 0.03 1
873 84 84 LEU HD1 H 0.924 0.03 2
874 84 84 LEU HD2 H 0.873 0.03 2
875 84 84 LEU C C 179.934 0.3 1
876 84 84 LEU CA C 56.030 0.3 1
877 84 84 LEU CB C 42.480 0.3 1
878 84 84 LEU CG C 27.077 0.3 1
879 84 84 LEU CD1 C 25.217 0.3 1
880 84 84 LEU CD2 C 23.358 0.3 1
881 84 84 LEU N N 119.500 0.3 1
882 85 85 LEU H H 8.029 0.03 1
883 85 85 LEU HA H 4.270 0.03 1
884 85 85 LEU HB2 H 1.180 0.03 2
885 85 85 LEU HB3 H 1.405 0.03 2
886 85 85 LEU HG H 1.480 0.03 1
887 85 85 LEU HD1 H 0.800 0.03 2
888 85 85 LEU HD2 H 0.760 0.03 2
889 85 85 LEU C C 180.024 0.3 1
890 85 85 LEU CA C 55.500 0.3 1
891 85 85 LEU CB C 42.750 0.3 1
892 85 85 LEU CG C 27.077 0.3 1
893 85 85 LEU CD1 C 25.480 0.3 1
894 85 85 LEU CD2 C 23.889 0.3 1
895 85 85 LEU N N 121.250 0.3 1
896 86 86 TYR H H 8.087 0.03 1
897 86 86 TYR HA H 4.660 0.03 1
898 86 86 TYR HB2 H 2.920 0.03 2
899 86 86 TYR HB3 H 3.170 0.03 2
900 86 86 TYR HD1 H 7.138 0.03 3
901 86 86 TYR HE1 H 6.800 0.03 3
902 86 86 TYR C C 181.109 0.3 1
903 86 86 TYR CA C 57.650 0.3 1
904 86 86 TYR CB C 38.760 0.3 1
905 86 86 TYR CD1 C 133.530 0.3 1
906 86 86 TYR CE1 C 118.188 0.3 1
907 86 86 TYR N N 119.040 0.3 1
908 87 87 GLY H H 8.081 0.03 1
909 87 87 GLY HA2 H 3.971 0.03 2
910 87 87 GLY HA3 H 3.931 0.03 2
911 87 87 GLY C C 183.936 0.3 1
912 87 87 GLY CA C 45.670 0.3 1
913 87 87 GLY N N 110.550 0.3 1
914 88 88 GLU H H 8.269 0.03 1
915 88 88 GLU HA H 4.320 0.03 1
916 88 88 GLU HB2 H 1.920 0.03 2
917 88 88 GLU HB3 H 2.070 0.03 2
918 88 88 GLU HG2 H 2.231 0.03 1
919 88 88 GLU HG3 H 2.231 0.03 1
920 88 88 GLU C C 181.426 0.3 1
921 88 88 GLU CA C 56.290 0.3 1
922 88 88 GLU CB C 30.790 0.3 1
923 88 88 GLU CG C 36.506 0.3 1
924 88 88 GLU N N 120.630 0.3 1
925 89 89 GLU H H 8.554 0.03 1
926 89 89 GLU HA H 4.300 0.03 1
927 89 89 GLU HB2 H 1.925 0.03 2
928 89 89 GLU HB3 H 2.076 0.03 2
929 89 89 GLU HG2 H 2.270 0.03 1
930 89 89 GLU HG3 H 2.270 0.03 1
931 89 89 GLU C C 182.213 0.3 1
932 89 89 GLU CA C 56.290 0.3 1
933 89 89 GLU CB C 30.796 0.3 1
934 89 89 GLU CG C 36.500 0.3 1
935 89 89 GLU N N 123.630 0.3 1
936 90 90 LYS H H 8.004 0.03 1
937 90 90 LYS HA H 4.140 0.03 1
938 90 90 LYS HB2 H 1.820 0.03 2
939 90 90 LYS HB3 H 1.650 0.03 2
940 90 90 LYS HG2 H 1.700 0.03 1
941 90 90 LYS HG3 H 1.700 0.03 1
942 90 90 LYS HD2 H 1.370 0.03 1
943 90 90 LYS HD3 H 1.370 0.03 1
944 90 90 LYS HE2 H 2.970 0.03 1
945 90 90 LYS HE3 H 2.970 0.03 1
946 90 90 LYS CA C 57.620 0.3 1
947 90 90 LYS CB C 33.830 0.3 1
948 90 90 LYS CG C 29.160 0.3 1
949 90 90 LYS CD C 24.550 0.3 1
950 90 90 LYS CE C 42.217 0.3 1
951 90 90 LYS N N 128.670 0.3 1
stop_
save_