data_16711
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR structure of the protein NP_415897.1
;
_BMRB_accession_number 16711
_BMRB_flat_file_name bmr16711.str
_Entry_type original
_Submission_date 2010-02-06
_Accession_date 2010-02-06
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'NMR structure of the protein NP_415897.1'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Serrano Pedro . .
2 Jaudzems Kristaps . .
3 Geralt Michael . .
4 Horst Reto . .
5 Wuthrich Kurt . .
6 Wilson Ian A. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 682
"13C chemical shifts" 387
"15N chemical shifts" 131
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-08-03 original author .
stop_
_Original_release_date 2012-08-03
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR structure of the protein NP_415897.1'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Serrano Pedro . .
2 Jaudzems Kristaps . .
3 Geralt Michael . .
4 Horst Reto . .
5 Wilson Ian A. .
6 Wuthrich Kurt . .
stop_
_Journal_abbreviation 'Not known'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name NP_415897.1
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
NP_415897.1 $entity
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common NP_415897.1
_Molecular_mass 12846.825
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 117
_Mol_residue_sequence
;
MVTPEQLQHHRFVLESVNGK
PVTSDKNPPEISFGEKMMIS
GSMCNRFSGEGKLSNGELTA
KGLAMTRMMCANPQLNELDN
TISEMLKEGAQVDLTANQLT
LATAKQTLTYKLADLMN
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 VAL 3 THR 4 PRO 5 GLU
6 GLN 7 LEU 8 GLN 9 HIS 10 HIS
11 ARG 12 PHE 13 VAL 14 LEU 15 GLU
16 SER 17 VAL 18 ASN 19 GLY 20 LYS
21 PRO 22 VAL 23 THR 24 SER 25 ASP
26 LYS 27 ASN 28 PRO 29 PRO 30 GLU
31 ILE 32 SER 33 PHE 34 GLY 35 GLU
36 LYS 37 MET 38 MET 39 ILE 40 SER
41 GLY 42 SER 43 MET 44 CYS 45 ASN
46 ARG 47 PHE 48 SER 49 GLY 50 GLU
51 GLY 52 LYS 53 LEU 54 SER 55 ASN
56 GLY 57 GLU 58 LEU 59 THR 60 ALA
61 LYS 62 GLY 63 LEU 64 ALA 65 MET
66 THR 67 ARG 68 MET 69 MET 70 CYS
71 ALA 72 ASN 73 PRO 74 GLN 75 LEU
76 ASN 77 GLU 78 LEU 79 ASP 80 ASN
81 THR 82 ILE 83 SER 84 GLU 85 MET
86 LEU 87 LYS 88 GLU 89 GLY 90 ALA
91 GLN 92 VAL 93 ASP 94 LEU 95 THR
96 ALA 97 ASN 98 GLN 99 LEU 100 THR
101 LEU 102 ALA 103 THR 104 ALA 105 LYS
106 GLN 107 THR 108 LEU 109 THR 110 TYR
111 LYS 112 LEU 113 ALA 114 ASP 115 LEU
116 MET 117 ASN
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-08-26
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 2KTS "Nmr Structure Of The Protein Np_415897.1" 100.00 117 100.00 100.00 1.97e-79
DBJ BAA14984 "heat-inducible protein [Escherichia coli str. K12 substr. W3110]" 99.15 140 100.00 100.00 7.14e-79
DBJ BAB35424 "heat shock protein hslJ [Escherichia coli O157:H7 str. Sakai]" 99.15 140 99.14 99.14 4.82e-78
DBJ BAG76988 "heat shock protein [Escherichia coli SE11]" 99.15 140 100.00 100.00 7.14e-79
DBJ BAI25261 "heat-inducible protein HslJ [Escherichia coli O26:H11 str. 11368]" 99.15 140 100.00 100.00 7.88e-79
DBJ BAI30341 "heat-inducible protein HslJ [Escherichia coli O103:H2 str. 12009]" 99.15 140 100.00 100.00 7.14e-79
EMBL CAP75894 "Heat shock protein hslJ [Escherichia coli LF82]" 99.15 140 100.00 100.00 4.52e-79
EMBL CAQ31880 "heat shock protein HslJ [Escherichia coli BL21(DE3)]" 99.15 140 100.00 100.00 7.14e-79
EMBL CAQ98238 "heat-inducible protein [Escherichia coli IAI1]" 99.15 140 100.00 100.00 7.14e-79
EMBL CAR02814 "heat-inducible protein [Escherichia coli S88]" 99.15 140 99.14 99.14 1.81e-78
EMBL CAR07740 "heat-inducible protein [Escherichia coli ED1a]" 99.15 140 100.00 100.00 4.52e-79
GB AAC74461 "heat-inducible lipoprotein involved in novobiocin resistance [Escherichia coli str. K-12 substr. MG1655]" 99.15 140 100.00 100.00 7.14e-79
GB AAG56381 "heat shock protein hslJ [Escherichia coli O157:H7 str. EDL933]" 99.15 140 99.14 99.14 4.82e-78
GB AAN80290 "Heat shock protein hslJ [Escherichia coli CFT073]" 99.15 144 100.00 100.00 3.67e-79
GB AAZ88432 "heat shock protein hslJ [Shigella sonnei Ss046]" 99.15 140 100.00 100.00 7.14e-79
GB ABB66292 "heat shock protein hslJ [Shigella boydii Sb227]" 99.15 140 100.00 100.00 7.14e-79
REF NP_310028 "heat-inducible protein [Escherichia coli O157:H7 str. Sakai]" 99.15 140 99.14 99.14 4.82e-78
REF NP_415897 "heat-inducible lipoprotein involved in novobiocin resistance [Escherichia coli str. K-12 substr. MG1655]" 99.15 140 100.00 100.00 7.14e-79
REF WP_000129114 "heat-inducible protein [Escherichia coli]" 99.15 156 99.14 100.00 1.45e-77
REF WP_001295716 "heat-shock protein HslJ [Escherichia coli]" 99.15 140 100.00 100.00 7.88e-79
REF WP_001296048 "MULTISPECIES: heat-inducible protein [Enterobacteriaceae]" 99.15 140 100.00 100.00 4.52e-79
SP P52644 "RecName: Full=Heat shock protein HslJ" 99.15 140 100.00 100.00 7.14e-79
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
$entity 'E. coli' 562 Eubacteria . Escherichia coli k12
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Variant
_Vector_name
$entity 'recombinant technology' . Escherichia coli BL21 (DE3) pET25b
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 1.2 mM '[U-98% 13C; U-98% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 50 mM 'natural abundance'
'sodium azide' 0.05 % 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_CARA
_Saveframe_category software
_Name CARA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_Topspin
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
processing
stop_
_Details .
save_
save_OPAL
_Saveframe_category software
_Name OPAL
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Luginbuhl, Guntert, Billeter and Wuthrich' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_UNIO
_Saveframe_category software
_Name UNIO
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Herrmann and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
'peak picking'
'structure solution'
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_1
save_
save_3D_1H-15N_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_(Ali)_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY (Ali)'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_(Aro)_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY (Aro)'
_Sample_label $sample_1
save_
save_APSY_5D-CBCACONH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name 'APSY 5D-CBCACONH'
_Sample_label $sample_1
save_
save_APSY_5D-HACACONH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name 'APSY 5D-HACACONH'
_Sample_label $sample_1
save_
save_APSY_4D-HACANH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name 'APSY 4D-HACANH'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.1 . M
pH 6.0 . 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 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$CARA
$Topspin
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY (Ali)'
'3D 1H-13C NOESY (Aro)'
'APSY 5D-CBCACONH'
'APSY 5D-HACACONH'
'APSY 4D-HACANH'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name NP_415897.1
_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 HA H 4.110 0.006 1
2 1 1 MET HB2 H 2.049 0.006 2
3 1 1 MET HB3 H 2.049 0.006 2
4 1 1 MET HG2 H 2.516 0.006 2
5 1 1 MET HG3 H 2.410 0.006 2
6 1 1 MET CA C 55.120 0.16 1
7 1 1 MET CB C 33.492 0.16 1
8 1 1 MET CG C 31.060 0.16 1
9 2 2 VAL H H 8.457 0.006 1
10 2 2 VAL HA H 4.409 0.006 1
11 2 2 VAL HB H 1.756 0.006 1
12 2 2 VAL HG1 H 0.671 0.006 1
13 2 2 VAL HG2 H 0.848 0.006 1
14 2 2 VAL CA C 62.287 0.16 1
15 2 2 VAL CB C 33.156 0.16 1
16 2 2 VAL CG1 C 21.666 0.16 2
17 2 2 VAL CG2 C 23.178 0.16 2
18 2 2 VAL N N 124.856 0.12 1
19 3 3 THR H H 7.709 0.006 1
20 3 3 THR HA H 4.760 0.006 1
21 3 3 THR HB H 4.570 0.006 1
22 3 3 THR HG2 H 1.151 0.006 1
23 3 3 THR CA C 58.591 0.16 1
24 3 3 THR CB C 69.384 0.16 1
25 3 3 THR CG2 C 22.393 0.16 1
26 3 3 THR N N 115.665 0.12 1
27 4 4 PRO HA H 3.953 0.006 1
28 4 4 PRO HB2 H 1.793 0.006 2
29 4 4 PRO HB3 H 2.172 0.006 2
30 4 4 PRO HD2 H 3.889 0.006 2
31 4 4 PRO HD3 H 3.732 0.006 2
32 4 4 PRO HG2 H 1.906 0.006 2
33 4 4 PRO HG3 H 2.245 0.006 2
34 4 4 PRO CA C 66.334 0.16 1
35 4 4 PRO CB C 32.271 0.16 1
36 4 4 PRO CD C 50.900 0.16 1
37 4 4 PRO CG C 28.543 0.16 1
38 5 5 GLU H H 8.757 0.006 1
39 5 5 GLU HA H 3.940 0.006 1
40 5 5 GLU HB2 H 1.993 0.006 2
41 5 5 GLU HB3 H 1.939 0.006 2
42 5 5 GLU HG2 H 2.396 0.006 2
43 5 5 GLU HG3 H 2.201 0.006 2
44 5 5 GLU CA C 60.032 0.16 1
45 5 5 GLU CB C 28.799 0.16 1
46 5 5 GLU CG C 37.282 0.16 1
47 5 5 GLU N N 115.254 0.12 1
48 6 6 GLN H H 7.538 0.006 1
49 6 6 GLN HA H 4.117 0.006 1
50 6 6 GLN HB2 H 1.931 0.006 2
51 6 6 GLN HB3 H 2.120 0.006 2
52 6 6 GLN HE21 H 6.831 0.006 2
53 6 6 GLN HE22 H 7.498 0.006 2
54 6 6 GLN HG2 H 2.314 0.006 2
55 6 6 GLN HG3 H 2.314 0.006 2
56 6 6 GLN CA C 58.084 0.16 1
57 6 6 GLN CB C 30.769 0.16 1
58 6 6 GLN CG C 35.817 0.16 1
59 6 6 GLN N N 116.415 0.12 1
60 6 6 GLN NE2 N 111.060 0.12 1
61 7 7 LEU H H 6.891 0.006 1
62 7 7 LEU HA H 4.268 0.006 1
63 7 7 LEU HB2 H 1.177 0.006 2
64 7 7 LEU HB3 H 0.590 0.006 2
65 7 7 LEU HD1 H -0.007 0.006 1
66 7 7 LEU HD2 H 0.163 0.006 1
67 7 7 LEU HG H 1.152 0.006 1
68 7 7 LEU CA C 56.100 0.16 1
69 7 7 LEU CB C 43.801 0.16 1
70 7 7 LEU CD1 C 25.488 0.16 2
71 7 7 LEU CD2 C 23.239 0.16 2
72 7 7 LEU CG C 26.039 0.16 1
73 7 7 LEU N N 115.020 0.12 1
74 8 8 GLN H H 7.808 0.006 1
75 8 8 GLN HA H 3.485 0.006 1
76 8 8 GLN HB2 H 1.710 0.006 2
77 8 8 GLN HB3 H 1.190 0.006 2
78 8 8 GLN HE21 H 6.964 0.006 2
79 8 8 GLN HE22 H 7.102 0.006 2
80 8 8 GLN HG2 H 2.333 0.006 2
81 8 8 GLN HG3 H 2.462 0.006 2
82 8 8 GLN CA C 58.476 0.16 1
83 8 8 GLN CB C 29.596 0.16 1
84 8 8 GLN CG C 36.177 0.16 1
85 8 8 GLN N N 114.473 0.12 1
86 8 8 GLN NE2 N 108.912 0.12 1
87 9 9 HIS H H 8.428 0.006 1
88 9 9 HIS HA H 4.152 0.006 1
89 9 9 HIS HB2 H 3.160 0.006 2
90 9 9 HIS HB3 H 3.309 0.006 2
91 9 9 HIS HD2 H 7.017 0.006 1
92 9 9 HIS HE1 H 8.399 0.006 1
93 9 9 HIS CA C 57.299 0.16 1
94 9 9 HIS CB C 26.616 0.16 1
95 9 9 HIS CD2 C 118.953 0.16 1
96 9 9 HIS CE1 C 135.486 0.16 1
97 9 9 HIS N N 111.025 0.12 1
98 10 10 HIS H H 7.760 0.006 1
99 10 10 HIS HA H 5.575 0.006 1
100 10 10 HIS HB2 H 3.265 0.006 2
101 10 10 HIS HB3 H 2.445 0.006 2
102 10 10 HIS HD2 H 6.874 0.006 1
103 10 10 HIS HE1 H 8.312 0.006 1
104 10 10 HIS CA C 54.790 0.16 1
105 10 10 HIS CB C 32.748 0.16 1
106 10 10 HIS CD2 C 120.677 0.16 1
107 10 10 HIS CE1 C 136.043 0.16 1
108 10 10 HIS N N 114.450 0.12 1
109 11 11 ARG H H 8.358 0.006 1
110 11 11 ARG HA H 4.889 0.006 1
111 11 11 ARG HB2 H 1.573 0.006 2
112 11 11 ARG HB3 H 1.573 0.006 2
113 11 11 ARG HD2 H 3.054 0.006 2
114 11 11 ARG HD3 H 3.054 0.006 2
115 11 11 ARG HE H 7.358 0.006 1
116 11 11 ARG HG2 H 1.385 0.006 2
117 11 11 ARG HG3 H 1.120 0.006 2
118 11 11 ARG HH11 H 6.340 0.006 2
119 11 11 ARG HH12 H 6.340 0.006 2
120 11 11 ARG HH21 H 7.040 0.006 2
121 11 11 ARG HH22 H 7.040 0.006 2
122 11 11 ARG CA C 54.588 0.16 1
123 11 11 ARG CB C 33.859 0.16 1
124 11 11 ARG CD C 43.851 0.16 1
125 11 11 ARG CG C 29.444 0.16 1
126 11 11 ARG N N 122.786 0.12 1
127 11 11 ARG NE N 85.548 0.12 1
128 11 11 ARG NH1 N 70.046 0.12 2
129 11 11 ARG NH2 N 71.562 0.12 2
130 12 12 PHE H H 9.301 0.006 1
131 12 12 PHE HA H 5.249 0.006 1
132 12 12 PHE HB2 H 2.851 0.006 2
133 12 12 PHE HB3 H 2.693 0.006 2
134 12 12 PHE HD1 H 6.932 0.006 3
135 12 12 PHE HD2 H 6.932 0.006 3
136 12 12 PHE HE1 H 6.952 0.006 3
137 12 12 PHE HE2 H 6.952 0.006 3
138 12 12 PHE HZ H 7.140 0.006 1
139 12 12 PHE CA C 56.087 0.16 1
140 12 12 PHE CB C 42.425 0.16 1
141 12 12 PHE CD1 C 131.558 0.16 3
142 12 12 PHE CE1 C 128.290 0.16 3
143 12 12 PHE CZ C 131.040 0.16 1
144 12 12 PHE N N 122.451 0.12 1
145 13 13 VAL H H 9.332 0.006 1
146 13 13 VAL HA H 5.030 0.006 1
147 13 13 VAL HB H 1.957 0.006 1
148 13 13 VAL HG1 H 0.982 0.006 1
149 13 13 VAL HG2 H 0.958 0.006 1
150 13 13 VAL CA C 60.768 0.16 1
151 13 13 VAL CB C 35.152 0.16 1
152 13 13 VAL CG1 C 21.815 0.16 2
153 13 13 VAL CG2 C 21.296 0.16 2
154 13 13 VAL N N 118.656 0.12 1
155 14 14 LEU H H 8.564 0.006 1
156 14 14 LEU HA H 3.451 0.006 1
157 14 14 LEU HB2 H 0.829 0.006 2
158 14 14 LEU HB3 H 1.569 0.006 2
159 14 14 LEU HD1 H 0.072 0.006 1
160 14 14 LEU HD2 H 0.562 0.006 1
161 14 14 LEU HG H 1.044 0.006 1
162 14 14 LEU CA C 57.026 0.16 1
163 14 14 LEU CB C 43.765 0.16 1
164 14 14 LEU CD1 C 22.183 0.16 2
165 14 14 LEU CD2 C 28.161 0.16 2
166 14 14 LEU CG C 26.733 0.16 1
167 14 14 LEU N N 129.265 0.12 1
168 15 15 GLU H H 9.405 0.006 1
169 15 15 GLU HA H 4.558 0.006 1
170 15 15 GLU HB2 H 1.813 0.006 2
171 15 15 GLU HB3 H 1.869 0.006 2
172 15 15 GLU HG2 H 2.183 0.006 2
173 15 15 GLU HG3 H 2.029 0.006 2
174 15 15 GLU CA C 57.483 0.16 1
175 15 15 GLU CB C 33.436 0.16 1
176 15 15 GLU CG C 37.171 0.16 1
177 15 15 GLU N N 125.495 0.12 1
178 16 16 SER H H 8.051 0.006 1
179 16 16 SER HA H 4.975 0.006 1
180 16 16 SER HB2 H 3.522 0.006 2
181 16 16 SER HB3 H 3.269 0.006 2
182 16 16 SER CA C 57.904 0.16 1
183 16 16 SER CB C 66.379 0.16 1
184 16 16 SER N N 112.253 0.12 1
185 17 17 VAL H H 8.628 0.006 1
186 17 17 VAL HA H 4.626 0.006 1
187 17 17 VAL HB H 1.801 0.006 1
188 17 17 VAL HG1 H 0.861 0.006 1
189 17 17 VAL HG2 H 0.817 0.006 1
190 17 17 VAL CA C 60.341 0.16 1
191 17 17 VAL CB C 34.230 0.16 1
192 17 17 VAL CG1 C 20.124 0.16 2
193 17 17 VAL CG2 C 22.040 0.16 2
194 17 17 VAL N N 119.501 0.12 1
195 18 18 ASN H H 9.679 0.006 1
196 18 18 ASN HA H 4.347 0.006 1
197 18 18 ASN HB2 H 2.957 0.006 2
198 18 18 ASN HB3 H 2.847 0.006 2
199 18 18 ASN HD21 H 7.630 0.006 2
200 18 18 ASN HD22 H 6.883 0.006 2
201 18 18 ASN CA C 55.145 0.16 1
202 18 18 ASN CB C 37.639 0.16 1
203 18 18 ASN N N 127.695 0.12 1
204 18 18 ASN ND2 N 114.055 0.12 1
205 19 19 GLY H H 8.519 0.006 1
206 19 19 GLY HA2 H 4.084 0.006 2
207 19 19 GLY HA3 H 3.507 0.006 2
208 19 19 GLY CA C 45.591 0.16 1
209 19 19 GLY N N 102.001 0.12 1
210 20 20 LYS H H 7.906 0.006 1
211 20 20 LYS HA H 4.835 0.006 1
212 20 20 LYS HB2 H 1.813 0.006 2
213 20 20 LYS HD2 H 1.661 0.006 2
214 20 20 LYS HD3 H 1.661 0.006 2
215 20 20 LYS HE2 H 2.901 0.006 2
216 20 20 LYS HG2 H 1.372 0.006 2
217 20 20 LYS HG3 H 1.437 0.006 2
218 20 20 LYS CA C 53.100 0.16 1
219 20 20 LYS CB C 33.484 0.16 1
220 20 20 LYS CD C 29.235 0.16 1
221 20 20 LYS CE C 42.420 0.16 1
222 20 20 LYS CG C 24.931 0.16 1
223 20 20 LYS N N 122.187 0.12 1
224 21 21 PRO HA H 4.564 0.006 1
225 21 21 PRO HB2 H 2.287 0.006 2
226 21 21 PRO HB3 H 1.781 0.006 2
227 21 21 PRO HD2 H 3.852 0.006 2
228 21 21 PRO HD3 H 3.607 0.006 2
229 21 21 PRO HG2 H 1.979 0.006 2
230 21 21 PRO HG3 H 1.940 0.006 2
231 21 21 PRO CA C 62.991 0.16 1
232 21 21 PRO CB C 32.830 0.16 1
233 21 21 PRO CD C 51.155 0.16 1
234 21 21 PRO CG C 27.719 0.16 1
235 22 22 VAL H H 7.757 0.006 1
236 22 22 VAL HA H 4.202 0.006 1
237 22 22 VAL HB H 1.685 0.006 1
238 22 22 VAL HG1 H 0.657 0.006 1
239 22 22 VAL HG2 H 0.665 0.006 1
240 22 22 VAL CA C 61.459 0.16 1
241 22 22 VAL CB C 33.518 0.16 1
242 22 22 VAL CG1 C 21.126 0.16 2
243 22 22 VAL CG2 C 21.340 0.16 2
244 22 22 VAL N N 120.929 0.12 1
245 23 23 THR H H 8.453 0.006 1
246 23 23 THR HA H 4.308 0.006 1
247 23 23 THR HB H 4.097 0.006 1
248 23 23 THR HG2 H 1.124 0.006 1
249 23 23 THR CA C 62.160 0.16 1
250 23 23 THR CB C 69.831 0.16 1
251 23 23 THR CG2 C 21.802 0.16 1
252 23 23 THR N N 120.920 0.12 1
253 24 24 SER H H 8.225 0.006 1
254 24 24 SER HA H 4.470 0.006 1
255 24 24 SER HB2 H 3.660 0.006 2
256 24 24 SER HB3 H 3.723 0.006 2
257 24 24 SER CA C 58.021 0.16 1
258 24 24 SER CB C 64.587 0.16 1
259 24 24 SER N N 118.333 0.12 1
260 25 25 ASP H H 8.385 0.006 1
261 25 25 ASP HA H 4.546 0.006 1
262 25 25 ASP HB2 H 2.616 0.006 2
263 25 25 ASP HB3 H 2.616 0.006 2
264 25 25 ASP CA C 54.671 0.16 1
265 25 25 ASP CB C 41.985 0.16 1
266 25 25 ASP N N 123.206 0.12 1
267 26 26 LYS H H 8.050 0.006 1
268 26 26 LYS HA H 4.200 0.006 1
269 26 26 LYS HB2 H 1.695 0.006 2
270 26 26 LYS HB3 H 1.759 0.006 2
271 26 26 LYS HD3 H 1.597 0.006 2
272 26 26 LYS HE2 H 2.923 0.006 2
273 26 26 LYS HE3 H 2.923 0.006 2
274 26 26 LYS HG2 H 1.338 0.006 2
275 26 26 LYS HG3 H 1.338 0.006 2
276 26 26 LYS CA C 56.853 0.16 1
277 26 26 LYS CB C 33.403 0.16 1
278 26 26 LYS CD C 29.247 0.16 1
279 26 26 LYS CE C 42.510 0.16 1
280 26 26 LYS CG C 24.889 0.16 1
281 26 26 LYS N N 119.320 0.12 1
282 27 27 ASN H H 8.505 0.006 1
283 27 27 ASN HA H 4.788 0.006 1
284 27 27 ASN HB2 H 2.629 0.006 2
285 27 27 ASN HB3 H 2.671 0.006 2
286 27 27 ASN HD21 H 7.601 0.006 2
287 27 27 ASN HD22 H 6.787 0.006 2
288 27 27 ASN CA C 52.233 0.16 1
289 27 27 ASN CB C 38.902 0.16 1
290 27 27 ASN N N 117.631 0.12 1
291 27 27 ASN ND2 N 113.528 0.12 1
292 28 28 PRO HA H 4.610 0.006 1
293 28 28 PRO HB2 H 1.980 0.006 2
294 28 28 PRO HB3 H 2.251 0.006 2
295 28 28 PRO HD3 H 3.571 0.006 2
296 28 28 PRO HG2 H 1.960 0.006 2
297 28 28 PRO HG3 H 1.960 0.006 2
298 28 28 PRO CA C 61.981 0.16 1
299 28 28 PRO CB C 31.457 0.16 1
300 28 28 PRO CD C 50.944 0.16 1
301 28 28 PRO CG C 27.736 0.16 1
302 29 29 PRO HA H 4.390 0.006 1
303 29 29 PRO HB2 H 1.870 0.006 2
304 29 29 PRO HB3 H 3.199 0.006 2
305 29 29 PRO HD2 H 3.907 0.006 2
306 29 29 PRO HD3 H 3.455 0.006 2
307 29 29 PRO HG2 H 1.725 0.006 2
308 29 29 PRO HG3 H 1.812 0.006 2
309 29 29 PRO CA C 63.978 0.16 1
310 29 29 PRO CB C 33.168 0.16 1
311 29 29 PRO CD C 50.941 0.16 1
312 29 29 PRO CG C 28.283 0.16 1
313 30 30 GLU H H 8.023 0.006 1
314 30 30 GLU HA H 5.780 0.006 1
315 30 30 GLU HB2 H 2.161 0.006 2
316 30 30 GLU HB3 H 1.947 0.006 2
317 30 30 GLU HG2 H 2.301 0.006 2
318 30 30 GLU HG3 H 2.058 0.006 2
319 30 30 GLU CA C 54.796 0.16 1
320 30 30 GLU CB C 34.970 0.16 1
321 30 30 GLU CG C 35.035 0.16 1
322 30 30 GLU N N 116.317 0.12 1
323 31 31 ILE H H 9.591 0.006 1
324 31 31 ILE HA H 4.818 0.006 1
325 31 31 ILE HB H 1.450 0.006 1
326 31 31 ILE HD1 H 0.552 0.006 1
327 31 31 ILE HG12 H 1.386 0.006 2
328 31 31 ILE HG13 H 0.435 0.006 2
329 31 31 ILE HG2 H -0.040 0.006 1
330 31 31 ILE CA C 62.194 0.16 1
331 31 31 ILE CB C 43.068 0.16 1
332 31 31 ILE CD1 C 13.497 0.16 1
333 31 31 ILE CG1 C 29.434 0.16 1
334 31 31 ILE CG2 C 15.228 0.16 1
335 31 31 ILE N N 124.758 0.12 1
336 32 32 SER H H 9.007 0.006 1
337 32 32 SER HA H 5.299 0.006 1
338 32 32 SER HB2 H 3.567 0.006 2
339 32 32 SER HB3 H 3.622 0.006 2
340 32 32 SER CA C 57.471 0.16 1
341 32 32 SER CB C 66.361 0.16 1
342 32 32 SER N N 120.864 0.12 1
343 33 33 PHE H H 7.800 0.006 1
344 33 33 PHE HA H 5.242 0.006 1
345 33 33 PHE HB2 H 3.238 0.006 2
346 33 33 PHE HB3 H 2.708 0.006 2
347 33 33 PHE HD1 H 7.143 0.006 3
348 33 33 PHE HD2 H 7.143 0.006 3
349 33 33 PHE HE1 H 6.791 0.006 3
350 33 33 PHE HE2 H 6.791 0.006 3
351 33 33 PHE HZ H 6.542 0.006 1
352 33 33 PHE CA C 56.063 0.16 1
353 33 33 PHE CB C 41.732 0.16 1
354 33 33 PHE CD1 C 132.306 0.16 3
355 33 33 PHE CE1 C 129.533 0.16 3
356 33 33 PHE CZ C 126.738 0.16 1
357 33 33 PHE N N 117.991 0.12 1
358 34 34 GLY H H 9.487 0.006 1
359 34 34 GLY HA2 H 3.577 0.006 2
360 34 34 GLY HA3 H 4.373 0.006 2
361 34 34 GLY CA C 43.157 0.16 1
362 34 34 GLY N N 115.011 0.12 1
363 35 35 GLU H H 8.239 0.006 1
364 35 35 GLU HA H 3.818 0.006 1
365 35 35 GLU HB2 H 1.941 0.006 2
366 35 35 GLU HB3 H 1.941 0.006 2
367 35 35 GLU HG2 H 2.315 0.006 2
368 35 35 GLU HG3 H 2.315 0.006 2
369 35 35 GLU CA C 57.577 0.16 1
370 35 35 GLU CB C 30.267 0.16 1
371 35 35 GLU CG C 36.680 0.16 1
372 35 35 GLU N N 117.502 0.12 1
373 36 36 LYS H H 8.780 0.006 1
374 36 36 LYS HA H 3.814 0.006 1
375 36 36 LYS HB2 H 1.854 0.006 2
376 36 36 LYS HB3 H 2.029 0.006 2
377 36 36 LYS HD2 H 1.670 0.006 2
378 36 36 LYS HD3 H 1.670 0.006 2
379 36 36 LYS HE2 H 2.954 0.006 2
380 36 36 LYS HE3 H 2.908 0.006 2
381 36 36 LYS HG2 H 1.369 0.006 2
382 36 36 LYS HG3 H 1.369 0.006 2
383 36 36 LYS CA C 57.636 0.16 1
384 36 36 LYS CB C 30.382 0.16 1
385 36 36 LYS CD C 29.654 0.16 1
386 36 36 LYS CE C 42.605 0.16 1
387 36 36 LYS CG C 26.082 0.16 1
388 36 36 LYS N N 119.552 0.12 1
389 37 37 MET H H 8.284 0.006 1
390 37 37 MET HA H 4.132 0.006 1
391 37 37 MET HB2 H 2.461 0.006 2
392 37 37 MET HB3 H 2.461 0.006 2
393 37 37 MET HE H 1.649 0.006 1
394 37 37 MET HG2 H 2.601 0.006 2
395 37 37 MET HG3 H 2.541 0.006 2
396 37 37 MET CA C 54.523 0.16 1
397 37 37 MET CB C 27.640 0.16 1
398 37 37 MET CE C 16.605 0.16 1
399 37 37 MET CG C 33.544 0.16 1
400 37 37 MET N N 112.301 0.12 1
401 38 38 MET H H 6.971 0.006 1
402 38 38 MET HA H 4.635 0.006 1
403 38 38 MET HB2 H 1.956 0.006 2
404 38 38 MET HE H 2.018 0.006 1
405 38 38 MET HG2 H 2.692 0.006 2
406 38 38 MET HG3 H 2.553 0.006 2
407 38 38 MET CA C 56.356 0.16 1
408 38 38 MET CB C 31.517 0.16 1
409 38 38 MET CE C 16.973 0.16 1
410 38 38 MET CG C 32.691 0.16 1
411 38 38 MET N N 116.715 0.12 1
412 39 39 ILE H H 9.075 0.006 1
413 39 39 ILE HA H 4.543 0.006 1
414 39 39 ILE HB H 1.582 0.006 1
415 39 39 ILE HD1 H 0.781 0.006 1
416 39 39 ILE HG12 H 0.893 0.006 2
417 39 39 ILE HG13 H 1.926 0.006 2
418 39 39 ILE HG2 H 0.652 0.006 1
419 39 39 ILE CA C 61.121 0.16 1
420 39 39 ILE CB C 41.139 0.16 1
421 39 39 ILE CD1 C 15.645 0.16 1
422 39 39 ILE CG1 C 27.625 0.16 1
423 39 39 ILE CG2 C 17.856 0.16 1
424 39 39 ILE N N 128.462 0.12 1
425 40 40 SER H H 8.304 0.006 1
426 40 40 SER HA H 4.974 0.006 1
427 40 40 SER HB2 H 3.626 0.006 2
428 40 40 SER HB3 H 3.583 0.006 2
429 40 40 SER CA C 57.080 0.16 1
430 40 40 SER CB C 66.039 0.16 1
431 40 40 SER N N 120.073 0.12 1
432 41 41 GLY H H 7.398 0.006 1
433 41 41 GLY HA2 H 3.759 0.006 2
434 41 41 GLY HA3 H 3.698 0.006 2
435 41 41 GLY CA C 46.580 0.16 1
436 41 41 GLY N N 107.645 0.12 1
437 42 42 SER H H 8.496 0.006 1
438 42 42 SER HA H 5.294 0.006 1
439 42 42 SER HB2 H 3.607 0.006 2
440 42 42 SER HB3 H 3.445 0.006 2
441 42 42 SER CA C 57.744 0.16 1
442 42 42 SER CB C 65.449 0.16 1
443 42 42 SER N N 112.284 0.12 1
444 43 43 MET H H 7.942 0.006 1
445 43 43 MET HA H 4.441 0.006 1
446 43 43 MET HB2 H 3.237 0.006 2
447 43 43 MET HB3 H 1.875 0.006 2
448 43 43 MET HE H 2.024 0.006 1
449 43 43 MET HG2 H 2.977 0.006 2
450 43 43 MET HG3 H 2.351 0.006 2
451 43 43 MET CA C 56.699 0.16 1
452 43 43 MET CB C 32.382 0.16 1
453 43 43 MET CE C 20.934 0.16 1
454 43 43 MET CG C 33.604 0.16 1
455 43 43 MET N N 120.247 0.12 1
456 44 44 CYS H H 8.395 0.006 1
457 44 44 CYS HA H 4.586 0.006 1
458 44 44 CYS HB2 H 2.621 0.006 2
459 44 44 CYS HB3 H 3.630 0.006 2
460 44 44 CYS CA C 58.621 0.16 1
461 44 44 CYS CB C 38.414 0.16 1
462 44 44 CYS N N 121.735 0.12 1
463 45 45 ASN H H 9.744 0.006 1
464 45 45 ASN HA H 4.440 0.006 1
465 45 45 ASN HB2 H 2.520 0.006 2
466 45 45 ASN HB3 H 2.629 0.006 2
467 45 45 ASN HD21 H 8.268 0.006 2
468 45 45 ASN HD22 H 9.407 0.006 2
469 45 45 ASN CA C 53.623 0.16 1
470 45 45 ASN CB C 42.599 0.16 1
471 45 45 ASN N N 118.986 0.12 1
472 45 45 ASN ND2 N 122.611 0.12 1
473 46 46 ARG H H 7.729 0.006 1
474 46 46 ARG HA H 4.825 0.006 1
475 46 46 ARG HB2 H 1.788 0.006 2
476 46 46 ARG HB3 H 1.701 0.006 2
477 46 46 ARG HD2 H 3.079 0.006 2
478 46 46 ARG HD3 H 3.079 0.006 2
479 46 46 ARG HE H 7.062 0.006 1
480 46 46 ARG HG2 H 1.707 0.006 2
481 46 46 ARG HG3 H 1.504 0.006 2
482 46 46 ARG CA C 55.953 0.16 1
483 46 46 ARG CB C 31.483 0.16 1
484 46 46 ARG CD C 43.483 0.16 1
485 46 46 ARG CG C 27.924 0.16 1
486 46 46 ARG N N 119.218 0.12 1
487 46 46 ARG NE N 84.300 0.12 1
488 47 47 PHE H H 8.310 0.006 1
489 47 47 PHE HA H 6.050 0.006 1
490 47 47 PHE HB2 H 2.847 0.006 2
491 47 47 PHE HB3 H 2.903 0.006 2
492 47 47 PHE HD1 H 6.747 0.006 3
493 47 47 PHE HD2 H 6.747 0.006 3
494 47 47 PHE HE1 H 6.855 0.006 3
495 47 47 PHE HE2 H 6.855 0.006 3
496 47 47 PHE HZ H 7.090 0.006 1
497 47 47 PHE CA C 54.843 0.16 1
498 47 47 PHE CB C 43.768 0.16 1
499 47 47 PHE CD1 C 131.729 0.16 3
500 47 47 PHE CD2 C 131.729 0.16 3
501 47 47 PHE CE1 C 129.179 0.16 3
502 47 47 PHE CE2 C 129.179 0.16 3
503 47 47 PHE CZ C 128.556 0.16 1
504 47 47 PHE N N 118.392 0.12 1
505 48 48 SER H H 8.488 0.006 1
506 48 48 SER HA H 5.296 0.006 1
507 48 48 SER HB2 H 3.863 0.006 2
508 48 48 SER CA C 57.248 0.16 1
509 48 48 SER CB C 66.106 0.16 1
510 48 48 SER N N 111.676 0.12 1
511 49 49 GLY H H 8.584 0.006 1
512 49 49 GLY HA2 H 4.223 0.006 2
513 49 49 GLY HA3 H 3.900 0.006 2
514 49 49 GLY CA C 46.043 0.16 1
515 49 49 GLY N N 107.562 0.12 1
516 50 50 GLU H H 8.619 0.006 1
517 50 50 GLU HA H 4.592 0.006 1
518 50 50 GLU HB2 H 1.929 0.006 2
519 50 50 GLU HB3 H 2.031 0.006 2
520 50 50 GLU HG2 H 2.333 0.006 2
521 50 50 GLU HG3 H 2.181 0.006 2
522 50 50 GLU CA C 57.085 0.16 1
523 50 50 GLU CB C 30.838 0.16 1
524 50 50 GLU CG C 36.716 0.16 1
525 50 50 GLU N N 121.386 0.12 1
526 51 51 GLY H H 8.427 0.006 1
527 51 51 GLY HA2 H 4.991 0.006 2
528 51 51 GLY HA3 H 3.693 0.006 2
529 51 51 GLY CA C 45.330 0.16 1
530 51 51 GLY N N 114.840 0.12 1
531 52 52 LYS H H 8.700 0.006 1
532 52 52 LYS HA H 4.353 0.006 1
533 52 52 LYS HB2 H 1.649 0.006 2
534 52 52 LYS HD2 H 1.557 0.006 2
535 52 52 LYS HD3 H 1.557 0.006 2
536 52 52 LYS HE2 H 2.839 0.006 2
537 52 52 LYS HE3 H 2.839 0.006 2
538 52 52 LYS HG2 H 1.296 0.006 2
539 52 52 LYS HG3 H 1.136 0.006 2
540 52 52 LYS CA C 56.074 0.16 1
541 52 52 LYS CB C 35.364 0.16 1
542 52 52 LYS CD C 29.519 0.16 1
543 52 52 LYS CE C 42.445 0.16 1
544 52 52 LYS CG C 24.839 0.16 1
545 52 52 LYS N N 120.206 0.12 1
546 53 53 LEU H H 8.722 0.006 1
547 53 53 LEU HA H 5.220 0.006 1
548 53 53 LEU HB2 H 1.694 0.006 2
549 53 53 LEU HB3 H 1.048 0.006 2
550 53 53 LEU HD1 H 0.439 0.006 1
551 53 53 LEU HD2 H 0.444 0.006 1
552 53 53 LEU HG H 1.354 0.006 1
553 53 53 LEU CA C 53.226 0.16 1
554 53 53 LEU CB C 45.114 0.16 1
555 53 53 LEU CD1 C 24.259 0.16 2
556 53 53 LEU CD2 C 26.011 0.16 2
557 53 53 LEU CG C 27.339 0.16 1
558 53 53 LEU N N 127.638 0.12 1
559 54 54 SER H H 8.665 0.006 1
560 54 54 SER HA H 4.610 0.006 1
561 54 54 SER HB2 H 3.559 0.006 2
562 54 54 SER HB3 H 3.699 0.006 2
563 54 54 SER CA C 57.015 0.16 1
564 54 54 SER CB C 64.346 0.16 1
565 54 54 SER N N 119.892 0.12 1
566 55 55 ASN H H 9.532 0.006 1
567 55 55 ASN HA H 4.387 0.006 1
568 55 55 ASN HB2 H 2.645 0.006 2
569 55 55 ASN HB3 H 3.012 0.006 2
570 55 55 ASN HD21 H 6.774 0.006 2
571 55 55 ASN HD22 H 7.522 0.006 2
572 55 55 ASN CA C 54.875 0.16 1
573 55 55 ASN CB C 38.228 0.16 1
574 55 55 ASN N N 127.655 0.12 1
575 55 55 ASN ND2 N 113.140 0.12 1
576 56 56 GLY H H 8.937 0.006 1
577 56 56 GLY HA2 H 4.209 0.006 2
578 56 56 GLY HA3 H 3.379 0.006 2
579 56 56 GLY CA C 46.423 0.16 1
580 56 56 GLY N N 104.394 0.12 1
581 57 57 GLU H H 7.737 0.006 1
582 57 57 GLU HA H 4.882 0.006 1
583 57 57 GLU HB2 H 1.992 0.006 2
584 57 57 GLU HB3 H 1.839 0.006 2
585 57 57 GLU HG2 H 1.771 0.006 2
586 57 57 GLU HG3 H 1.922 0.006 2
587 57 57 GLU CA C 54.741 0.16 1
588 57 57 GLU CB C 32.778 0.16 1
589 57 57 GLU CG C 37.274 0.16 1
590 57 57 GLU N N 119.484 0.12 1
591 58 58 LEU H H 9.528 0.006 1
592 58 58 LEU HA H 5.339 0.006 1
593 58 58 LEU HB2 H 1.684 0.006 2
594 58 58 LEU HB3 H 1.011 0.006 2
595 58 58 LEU HD1 H 0.703 0.006 1
596 58 58 LEU HD2 H 0.782 0.006 1
597 58 58 LEU HG H 1.272 0.006 1
598 58 58 LEU CA C 53.651 0.16 1
599 58 58 LEU CB C 46.210 0.16 1
600 58 58 LEU CD1 C 27.250 0.16 2
601 58 58 LEU CD2 C 23.910 0.16 2
602 58 58 LEU CG C 27.470 0.16 1
603 58 58 LEU N N 130.730 0.12 1
604 59 59 THR H H 8.763 0.006 1
605 59 59 THR HA H 5.027 0.006 1
606 59 59 THR HB H 4.092 0.006 1
607 59 59 THR HG2 H 1.023 0.006 1
608 59 59 THR CA C 59.635 0.16 1
609 59 59 THR CB C 73.662 0.16 1
610 59 59 THR CG2 C 22.943 0.16 1
611 59 59 THR N N 115.733 0.12 1
612 60 60 ALA H H 8.308 0.006 1
613 60 60 ALA HA H 5.022 0.006 1
614 60 60 ALA HB H 1.058 0.006 1
615 60 60 ALA CA C 51.492 0.16 1
616 60 60 ALA CB C 22.545 0.16 1
617 60 60 ALA N N 119.582 0.12 1
618 61 61 LYS H H 8.659 0.006 1
619 61 61 LYS HA H 4.348 0.006 1
620 61 61 LYS HB2 H 1.735 0.006 2
621 61 61 LYS HB3 H 1.812 0.006 2
622 61 61 LYS HD2 H 1.617 0.006 2
623 61 61 LYS HD3 H 1.617 0.006 2
624 61 61 LYS HE2 H 2.890 0.006 2
625 61 61 LYS HE3 H 2.890 0.006 2
626 61 61 LYS HG2 H 1.405 0.006 2
627 61 61 LYS HG3 H 1.405 0.006 2
628 61 61 LYS CA C 56.397 0.16 1
629 61 61 LYS CB C 34.057 0.16 1
630 61 61 LYS CD C 29.541 0.16 1
631 61 61 LYS CE C 42.538 0.16 1
632 61 61 LYS CG C 25.390 0.16 1
633 61 61 LYS N N 122.305 0.12 1
634 62 62 GLY H H 8.400 0.006 1
635 62 62 GLY HA2 H 3.911 0.006 2
636 62 62 GLY HA3 H 3.713 0.006 2
637 62 62 GLY CA C 46.587 0.16 1
638 62 62 GLY N N 109.859 0.12 1
639 63 63 LEU H H 7.837 0.006 1
640 63 63 LEU HA H 4.452 0.006 1
641 63 63 LEU HB2 H 1.335 0.006 2
642 63 63 LEU HB3 H 1.493 0.006 2
643 63 63 LEU HD1 H 0.551 0.006 1
644 63 63 LEU HD2 H 0.568 0.006 1
645 63 63 LEU HG H 1.445 0.006 1
646 63 63 LEU CA C 55.714 0.16 1
647 63 63 LEU CB C 43.642 0.16 1
648 63 63 LEU CD1 C 25.024 0.16 2
649 63 63 LEU CD2 C 25.176 0.16 2
650 63 63 LEU CG C 27.148 0.16 1
651 63 63 LEU N N 120.748 0.12 1
652 64 64 ALA H H 8.972 0.006 1
653 64 64 ALA HA H 4.643 0.006 1
654 64 64 ALA HB H 1.335 0.006 1
655 64 64 ALA CA C 51.446 0.16 1
656 64 64 ALA CB C 20.792 0.16 1
657 64 64 ALA N N 130.501 0.12 1
658 65 65 MET H H 8.232 0.006 1
659 65 65 MET HA H 5.465 0.006 1
660 65 65 MET HB2 H 1.857 0.006 2
661 65 65 MET HB3 H 1.929 0.006 2
662 65 65 MET HE H 1.848 0.006 1
663 65 65 MET HG2 H 2.820 0.006 2
664 65 65 MET HG3 H 2.385 0.006 2
665 65 65 MET CA C 55.267 0.16 1
666 65 65 MET CB C 37.610 0.16 1
667 65 65 MET CE C 17.209 0.16 1
668 65 65 MET CG C 31.840 0.16 1
669 65 65 MET N N 121.384 0.12 1
670 66 66 THR H H 7.910 0.006 1
671 66 66 THR HA H 4.318 0.006 1
672 66 66 THR HB H 4.603 0.006 1
673 66 66 THR HG2 H 1.271 0.006 1
674 66 66 THR CA C 63.199 0.16 1
675 66 66 THR CB C 70.092 0.16 1
676 66 66 THR CG2 C 22.389 0.16 1
677 66 66 THR N N 114.482 0.12 1
678 67 67 ARG H H 8.347 0.006 1
679 67 67 ARG HA H 4.563 0.006 1
680 67 67 ARG HB2 H 1.997 0.006 2
681 67 67 ARG HB3 H 1.473 0.006 2
682 67 67 ARG HD2 H 3.102 0.006 2
683 67 67 ARG HD3 H 3.102 0.006 2
684 67 67 ARG HE H 7.059 0.006 1
685 67 67 ARG HG2 H 1.547 0.006 2
686 67 67 ARG HG3 H 1.420 0.006 2
687 67 67 ARG CA C 55.203 0.16 1
688 67 67 ARG CB C 30.496 0.16 1
689 67 67 ARG CD C 43.658 0.16 1
690 67 67 ARG CG C 27.112 0.16 1
691 67 67 ARG N N 118.643 0.12 1
692 67 67 ARG NE N 85.080 0.12 1
693 68 68 MET H H 9.071 0.006 1
694 68 68 MET HA H 4.442 0.006 1
695 68 68 MET HB2 H 2.065 0.006 2
696 68 68 MET HB3 H 1.983 0.006 2
697 68 68 MET HE H 2.055 0.006 1
698 68 68 MET HG2 H 2.542 0.006 2
699 68 68 MET HG3 H 2.493 0.006 2
700 68 68 MET CA C 55.939 0.16 1
701 68 68 MET CB C 33.700 0.16 1
702 68 68 MET CE C 17.600 0.16 1
703 68 68 MET CG C 32.640 0.16 1
704 68 68 MET N N 121.595 0.12 1
705 69 69 MET H H 8.525 0.006 1
706 69 69 MET HA H 4.647 0.006 1
707 69 69 MET HB2 H 1.899 0.006 2
708 69 69 MET HE H 1.996 0.006 1
709 69 69 MET HG2 H 2.485 0.006 2
710 69 69 MET HG3 H 2.443 0.006 2
711 69 69 MET CA C 55.307 0.16 1
712 69 69 MET CB C 33.570 0.16 1
713 69 69 MET CE C 17.085 0.16 1
714 69 69 MET CG C 32.389 0.16 1
715 69 69 MET N N 120.960 0.12 1
716 70 70 CYS H H 9.103 0.006 1
717 70 70 CYS HA H 4.725 0.006 1
718 70 70 CYS HB2 H 3.222 0.006 2
719 70 70 CYS HB3 H 2.915 0.006 2
720 70 70 CYS CA C 60.103 0.16 1
721 70 70 CYS CB C 41.046 0.16 1
722 70 70 CYS N N 123.610 0.12 1
723 71 71 ALA H H 8.586 0.006 1
724 71 71 ALA HA H 4.074 0.006 1
725 71 71 ALA HB H 1.349 0.006 1
726 71 71 ALA CA C 54.194 0.16 1
727 71 71 ALA CB C 18.795 0.16 1
728 71 71 ALA N N 124.741 0.12 1
729 72 72 ASN H H 7.483 0.006 1
730 72 72 ASN HA H 4.942 0.006 1
731 72 72 ASN HB2 H 2.826 0.006 2
732 72 72 ASN HB3 H 2.826 0.006 2
733 72 72 ASN HD21 H 7.264 0.006 2
734 72 72 ASN HD22 H 7.794 0.006 2
735 72 72 ASN CA C 50.259 0.16 1
736 72 72 ASN CB C 39.245 0.16 1
737 72 72 ASN N N 115.850 0.12 1
738 72 72 ASN ND2 N 112.458 0.12 1
739 73 73 PRO HA H 4.368 0.006 1
740 73 73 PRO HB2 H 2.373 0.006 2
741 73 73 PRO HB3 H 2.001 0.006 2
742 73 73 PRO HD2 H 4.222 0.006 2
743 73 73 PRO HD3 H 3.892 0.006 2
744 73 73 PRO HG2 H 2.054 0.006 2
745 73 73 PRO HG3 H 2.010 0.006 2
746 73 73 PRO CA C 64.972 0.16 1
747 73 73 PRO CB C 32.594 0.16 1
748 73 73 PRO CD C 51.660 0.16 1
749 73 73 PRO CG C 27.550 0.16 1
750 74 74 GLN H H 7.852 0.006 1
751 74 74 GLN HA H 4.080 0.006 1
752 74 74 GLN HB2 H 1.996 0.006 2
753 74 74 GLN HE21 H 6.819 0.006 2
754 74 74 GLN HE22 H 7.545 0.006 2
755 74 74 GLN HG2 H 2.114 0.006 2
756 74 74 GLN HG3 H 2.416 0.006 2
757 74 74 GLN CA C 59.019 0.16 1
758 74 74 GLN CB C 29.102 0.16 1
759 74 74 GLN CG C 34.640 0.16 1
760 74 74 GLN N N 118.023 0.12 1
761 74 74 GLN NE2 N 110.706 0.12 1
762 75 75 LEU H H 7.458 0.006 1
763 75 75 LEU HA H 3.961 0.006 1
764 75 75 LEU HB2 H 1.231 0.006 2
765 75 75 LEU HB3 H 1.783 0.006 2
766 75 75 LEU HD1 H 0.998 0.006 1
767 75 75 LEU HD2 H 0.630 0.006 1
768 75 75 LEU HG H 1.556 0.006 1
769 75 75 LEU CA C 57.895 0.16 1
770 75 75 LEU CB C 41.277 0.16 1
771 75 75 LEU CD1 C 26.128 0.16 2
772 75 75 LEU CD2 C 22.329 0.16 2
773 75 75 LEU CG C 27.287 0.16 1
774 75 75 LEU N N 115.980 0.12 1
775 76 76 ASN H H 7.037 0.006 1
776 76 76 ASN HA H 4.472 0.006 1
777 76 76 ASN HB2 H 2.887 0.006 2
778 76 76 ASN HB3 H 2.740 0.006 2
779 76 76 ASN HD21 H 7.425 0.006 2
780 76 76 ASN HD22 H 7.589 0.006 2
781 76 76 ASN CA C 57.090 0.16 1
782 76 76 ASN CB C 38.634 0.16 1
783 76 76 ASN N N 116.086 0.12 1
784 76 76 ASN ND2 N 114.586 0.12 1
785 77 77 GLU H H 7.778 0.006 1
786 77 77 GLU HA H 4.073 0.006 1
787 77 77 GLU HB2 H 2.094 0.006 2
788 77 77 GLU HG2 H 2.291 0.006 2
789 77 77 GLU HG3 H 2.144 0.006 2
790 77 77 GLU CA C 59.534 0.16 1
791 77 77 GLU CB C 29.606 0.16 1
792 77 77 GLU CG C 36.296 0.16 1
793 77 77 GLU N N 120.550 0.12 1
794 78 78 LEU H H 8.069 0.006 1
795 78 78 LEU HA H 4.073 0.006 1
796 78 78 LEU HB2 H 2.029 0.006 2
797 78 78 LEU HB3 H 1.704 0.006 2
798 78 78 LEU HD1 H 0.829 0.006 1
799 78 78 LEU HD2 H 0.744 0.006 1
800 78 78 LEU HG H 1.908 0.006 1
801 78 78 LEU CA C 58.015 0.16 1
802 78 78 LEU CB C 42.283 0.16 1
803 78 78 LEU CD1 C 23.575 0.16 2
804 78 78 LEU CD2 C 26.152 0.16 2
805 78 78 LEU CG C 27.837 0.16 1
806 78 78 LEU N N 119.496 0.12 1
807 79 79 ASP H H 7.552 0.006 1
808 79 79 ASP HA H 4.128 0.006 1
809 79 79 ASP HB2 H 3.147 0.006 2
810 79 79 ASP HB3 H 2.716 0.006 2
811 79 79 ASP CA C 58.118 0.16 1
812 79 79 ASP CB C 41.276 0.16 1
813 79 79 ASP N N 121.216 0.12 1
814 80 80 ASN H H 6.994 0.006 1
815 80 80 ASN HA H 4.355 0.006 1
816 80 80 ASN HB2 H 2.865 0.006 2
817 80 80 ASN HB3 H 2.964 0.006 2
818 80 80 ASN HD21 H 7.588 0.006 2
819 80 80 ASN HD22 H 7.189 0.006 2
820 80 80 ASN CA C 56.246 0.16 1
821 80 80 ASN CB C 38.572 0.16 1
822 80 80 ASN N N 117.127 0.12 1
823 80 80 ASN ND2 N 114.753 0.12 1
824 81 81 THR H H 8.569 0.006 1
825 81 81 THR HA H 3.739 0.006 1
826 81 81 THR HB H 4.127 0.006 1
827 81 81 THR HG2 H 1.041 0.006 1
828 81 81 THR CA C 67.230 0.16 1
829 81 81 THR CB C 68.893 0.16 1
830 81 81 THR CG2 C 22.590 0.16 1
831 81 81 THR N N 118.300 0.12 1
832 82 82 ILE H H 8.303 0.006 1
833 82 82 ILE HA H 4.009 0.006 1
834 82 82 ILE HB H 1.377 0.006 1
835 82 82 ILE HD1 H 0.605 0.006 1
836 82 82 ILE HG12 H 0.703 0.006 2
837 82 82 ILE HG13 H 0.656 0.006 2
838 82 82 ILE HG2 H 0.448 0.006 1
839 82 82 ILE CA C 61.300 0.16 1
840 82 82 ILE CB C 37.997 0.16 1
841 82 82 ILE CD1 C 13.349 0.16 1
842 82 82 ILE CG1 C 29.269 0.16 1
843 82 82 ILE CG2 C 18.956 0.16 1
844 82 82 ILE N N 119.470 0.12 1
845 83 83 SER H H 6.811 0.006 1
846 83 83 SER HA H 3.768 0.006 1
847 83 83 SER HB2 H 3.852 0.006 2
848 83 83 SER HB3 H 3.764 0.006 2
849 83 83 SER CA C 61.802 0.16 1
850 83 83 SER CB C 63.095 0.16 1
851 83 83 SER N N 117.139 0.12 1
852 84 84 GLU H H 8.058 0.006 1
853 84 84 GLU HA H 3.939 0.006 1
854 84 84 GLU HB2 H 2.004 0.006 2
855 84 84 GLU HB3 H 2.038 0.006 2
856 84 84 GLU HG2 H 2.267 0.006 2
857 84 84 GLU HG3 H 2.147 0.006 2
858 84 84 GLU CA C 59.735 0.16 1
859 84 84 GLU CB C 30.093 0.16 1
860 84 84 GLU CG C 36.566 0.16 1
861 84 84 GLU N N 120.389 0.12 1
862 85 85 MET H H 8.355 0.006 1
863 85 85 MET HA H 3.836 0.006 1
864 85 85 MET HB2 H 1.784 0.006 2
865 85 85 MET HB3 H 1.898 0.006 2
866 85 85 MET HE H 1.806 0.006 1
867 85 85 MET HG2 H 2.784 0.006 2
868 85 85 MET HG3 H 2.272 0.006 2
869 85 85 MET CA C 60.348 0.16 1
870 85 85 MET CB C 34.839 0.16 1
871 85 85 MET CE C 17.387 0.16 1
872 85 85 MET CG C 32.183 0.16 1
873 85 85 MET N N 118.015 0.12 1
874 86 86 LEU H H 7.714 0.006 1
875 86 86 LEU HA H 4.169 0.006 1
876 86 86 LEU HB2 H 1.313 0.006 2
877 86 86 LEU HB3 H 1.662 0.006 2
878 86 86 LEU HD1 H 0.501 0.006 1
879 86 86 LEU HD2 H 0.468 0.006 1
880 86 86 LEU HG H 1.659 0.006 1
881 86 86 LEU CA C 56.521 0.16 1
882 86 86 LEU CB C 40.622 0.16 1
883 86 86 LEU CD1 C 21.952 0.16 2
884 86 86 LEU CD2 C 26.346 0.16 2
885 86 86 LEU CG C 27.193 0.16 1
886 86 86 LEU N N 113.334 0.12 1
887 87 87 LYS H H 7.522 0.006 1
888 87 87 LYS HA H 4.205 0.006 1
889 87 87 LYS HB2 H 1.866 0.006 2
890 87 87 LYS HB3 H 1.921 0.006 2
891 87 87 LYS HD2 H 1.630 0.006 2
892 87 87 LYS HD3 H 1.630 0.006 2
893 87 87 LYS HE2 H 2.903 0.006 2
894 87 87 LYS HE3 H 2.903 0.006 2
895 87 87 LYS HG2 H 1.528 0.006 2
896 87 87 LYS HG3 H 1.351 0.006 2
897 87 87 LYS CA C 59.154 0.16 1
898 87 87 LYS CB C 33.260 0.16 1
899 87 87 LYS CD C 29.768 0.16 1
900 87 87 LYS CE C 42.436 0.16 1
901 87 87 LYS CG C 25.629 0.16 1
902 87 87 LYS N N 118.833 0.12 1
903 88 88 GLU H H 7.790 0.006 1
904 88 88 GLU HA H 4.131 0.006 1
905 88 88 GLU HB2 H 2.057 0.006 2
906 88 88 GLU HB3 H 2.034 0.006 2
907 88 88 GLU HG2 H 2.294 0.006 2
908 88 88 GLU HG3 H 2.409 0.006 2
909 88 88 GLU CA C 58.167 0.16 1
910 88 88 GLU CB C 30.908 0.16 1
911 88 88 GLU CG C 36.523 0.16 1
912 88 88 GLU N N 116.470 0.12 1
913 89 89 GLY H H 7.865 0.006 1
914 89 89 GLY HA2 H 4.171 0.006 2
915 89 89 GLY HA3 H 3.691 0.006 2
916 89 89 GLY CA C 45.349 0.16 1
917 89 89 GLY N N 109.172 0.12 1
918 90 90 ALA H H 8.619 0.006 1
919 90 90 ALA HA H 4.678 0.006 1
920 90 90 ALA HB H 1.050 0.006 1
921 90 90 ALA CA C 49.827 0.16 1
922 90 90 ALA CB C 21.447 0.16 1
923 90 90 ALA N N 128.022 0.12 1
924 91 91 GLN H H 9.272 0.006 1
925 91 91 GLN HA H 4.429 0.006 1
926 91 91 GLN HB2 H 1.985 0.006 2
927 91 91 GLN HB3 H 2.044 0.006 2
928 91 91 GLN HE21 H 6.861 0.006 2
929 91 91 GLN HE22 H 7.569 0.006 2
930 91 91 GLN HG2 H 2.379 0.006 2
931 91 91 GLN HG3 H 2.379 0.006 2
932 91 91 GLN CA C 56.206 0.16 1
933 91 91 GLN CB C 29.223 0.16 1
934 91 91 GLN CG C 34.196 0.16 1
935 91 91 GLN N N 123.506 0.12 1
936 91 91 GLN NE2 N 112.870 0.12 1
937 92 92 VAL H H 8.277 0.006 1
938 92 92 VAL HA H 4.931 0.006 1
939 92 92 VAL HB H 1.653 0.006 1
940 92 92 VAL HG1 H 0.590 0.006 1
941 92 92 VAL HG2 H 0.685 0.006 1
942 92 92 VAL CA C 60.912 0.16 1
943 92 92 VAL CB C 34.088 0.16 1
944 92 92 VAL CG1 C 22.937 0.16 2
945 92 92 VAL CG2 C 23.223 0.16 2
946 92 92 VAL N N 123.642 0.12 1
947 93 93 ASP H H 8.573 0.006 1
948 93 93 ASP HA H 4.738 0.006 1
949 93 93 ASP HB2 H 2.475 0.006 2
950 93 93 ASP HB3 H 2.436 0.006 2
951 93 93 ASP CA C 53.395 0.16 1
952 93 93 ASP CB C 45.850 0.16 1
953 93 93 ASP N N 125.746 0.12 1
954 94 94 LEU H H 8.127 0.006 1
955 94 94 LEU HA H 5.216 0.006 1
956 94 94 LEU HB2 H 0.858 0.006 2
957 94 94 LEU HB3 H 1.696 0.006 2
958 94 94 LEU HD1 H 0.705 0.006 1
959 94 94 LEU HD2 H 0.728 0.006 1
960 94 94 LEU HG H 1.349 0.006 1
961 94 94 LEU CA C 54.411 0.16 1
962 94 94 LEU CB C 45.517 0.16 1
963 94 94 LEU CD1 C 24.050 0.16 2
964 94 94 LEU CD2 C 26.947 0.16 2
965 94 94 LEU CG C 27.644 0.16 1
966 94 94 LEU N N 126.738 0.12 1
967 95 95 THR H H 8.458 0.006 1
968 95 95 THR HA H 4.389 0.006 1
969 95 95 THR HB H 4.022 0.006 1
970 95 95 THR HG2 H 1.126 0.006 1
971 95 95 THR CA C 61.842 0.16 1
972 95 95 THR CB C 71.072 0.16 1
973 95 95 THR CG2 C 21.629 0.16 1
974 95 95 THR N N 122.685 0.12 1
975 96 96 ALA H H 9.138 0.006 1
976 96 96 ALA HA H 3.888 0.006 1
977 96 96 ALA HB H 1.390 0.006 1
978 96 96 ALA CA C 54.363 0.16 1
979 96 96 ALA CB C 17.226 0.16 1
980 96 96 ALA N N 129.444 0.12 1
981 97 97 ASN H H 8.364 0.006 1
982 97 97 ASN HA H 4.553 0.006 1
983 97 97 ASN HB2 H 2.995 0.006 2
984 97 97 ASN HB3 H 3.139 0.006 2
985 97 97 ASN HD21 H 6.882 0.006 2
986 97 97 ASN HD22 H 7.594 0.006 2
987 97 97 ASN CA C 53.920 0.16 1
988 97 97 ASN CB C 38.674 0.16 1
989 97 97 ASN N N 113.178 0.12 1
990 97 97 ASN ND2 N 112.419 0.12 1
991 98 98 GLN H H 8.237 0.006 1
992 98 98 GLN HA H 5.204 0.006 1
993 98 98 GLN HB2 H 2.042 0.006 2
994 98 98 GLN HE21 H 7.552 0.006 2
995 98 98 GLN HE22 H 6.822 0.006 2
996 98 98 GLN HG2 H 2.060 0.006 2
997 98 98 GLN HG3 H 2.266 0.006 2
998 98 98 GLN CA C 55.402 0.16 1
999 98 98 GLN CB C 32.661 0.16 1
1000 98 98 GLN CG C 35.196 0.16 1
1001 98 98 GLN N N 119.283 0.12 1
1002 98 98 GLN NE2 N 112.348 0.12 1
1003 99 99 LEU H H 8.874 0.006 1
1004 99 99 LEU HA H 5.106 0.006 1
1005 99 99 LEU HB2 H 1.182 0.006 2
1006 99 99 LEU HB3 H 0.595 0.006 2
1007 99 99 LEU HD1 H -0.387 0.006 1
1008 99 99 LEU HD2 H 0.305 0.006 1
1009 99 99 LEU HG H 0.897 0.006 1
1010 99 99 LEU CA C 53.392 0.16 1
1011 99 99 LEU CB C 46.147 0.16 1
1012 99 99 LEU CD1 C 24.995 0.16 2
1013 99 99 LEU CD2 C 24.827 0.16 2
1014 99 99 LEU CG C 27.228 0.16 1
1015 99 99 LEU N N 131.017 0.12 1
1016 100 100 THR H H 9.411 0.006 1
1017 100 100 THR HA H 5.394 0.006 1
1018 100 100 THR HB H 3.879 0.006 1
1019 100 100 THR HG2 H 1.063 0.006 1
1020 100 100 THR CA C 61.842 0.16 1
1021 100 100 THR CB C 70.942 0.16 1
1022 100 100 THR CG2 C 22.131 0.16 1
1023 100 100 THR N N 124.083 0.12 1
1024 101 101 LEU H H 8.942 0.006 1
1025 101 101 LEU HA H 5.078 0.006 1
1026 101 101 LEU HB2 H 1.225 0.006 2
1027 101 101 LEU HB3 H 1.682 0.006 2
1028 101 101 LEU HD1 H 1.049 0.006 1
1029 101 101 LEU HD2 H 0.674 0.006 1
1030 101 101 LEU HG H 1.500 0.006 1
1031 101 101 LEU CA C 53.702 0.16 1
1032 101 101 LEU CB C 45.413 0.16 1
1033 101 101 LEU CD1 C 21.475 0.16 2
1034 101 101 LEU CD2 C 25.689 0.16 2
1035 101 101 LEU CG C 28.279 0.16 1
1036 101 101 LEU N N 125.577 0.12 1
1037 102 102 ALA H H 8.863 0.006 1
1038 102 102 ALA HA H 5.530 0.006 1
1039 102 102 ALA HB H 1.320 0.006 1
1040 102 102 ALA CA C 51.868 0.16 1
1041 102 102 ALA CB C 24.078 0.16 1
1042 102 102 ALA N N 124.662 0.12 1
1043 103 103 THR H H 9.049 0.006 1
1044 103 103 THR HA H 4.828 0.006 1
1045 103 103 THR HB H 4.689 0.006 1
1046 103 103 THR HG2 H 1.328 0.006 1
1047 103 103 THR CA C 59.818 0.16 1
1048 103 103 THR CB C 72.020 0.16 1
1049 103 103 THR CG2 C 23.510 0.16 1
1050 103 103 THR N N 113.849 0.12 1
1051 104 104 ALA H H 8.731 0.006 1
1052 104 104 ALA HA H 4.071 0.006 1
1053 104 104 ALA HB H 1.392 0.006 1
1054 104 104 ALA CA C 55.177 0.16 1
1055 104 104 ALA CB C 18.679 0.16 1
1056 104 104 ALA N N 120.571 0.12 1
1057 105 105 LYS H H 7.780 0.006 1
1058 105 105 LYS HA H 4.351 0.006 1
1059 105 105 LYS HB2 H 1.650 0.006 2
1060 105 105 LYS HB3 H 1.844 0.006 2
1061 105 105 LYS HE2 H 2.904 0.006 2
1062 105 105 LYS HE3 H 2.904 0.006 2
1063 105 105 LYS HG2 H 1.303 0.006 2
1064 105 105 LYS HG3 H 1.365 0.006 2
1065 105 105 LYS CA C 56.651 0.16 1
1066 105 105 LYS CB C 35.561 0.16 1
1067 105 105 LYS CE C 42.424 0.16 1
1068 105 105 LYS CG C 25.533 0.16 1
1069 105 105 LYS N N 112.145 0.12 1
1070 106 106 GLN H H 7.307 0.006 1
1071 106 106 GLN HA H 5.096 0.006 1
1072 106 106 GLN HB2 H 2.197 0.006 2
1073 106 106 GLN HB3 H 2.061 0.006 2
1074 106 106 GLN HE21 H 6.543 0.006 2
1075 106 106 GLN HE22 H 7.180 0.006 2
1076 106 106 GLN HG2 H 1.949 0.006 2
1077 106 106 GLN HG3 H 1.669 0.006 2
1078 106 106 GLN CA C 54.616 0.16 1
1079 106 106 GLN CB C 32.855 0.16 1
1080 106 106 GLN CG C 32.999 0.16 1
1081 106 106 GLN N N 117.008 0.12 1
1082 106 106 GLN NE2 N 109.923 0.12 1
1083 107 107 THR H H 8.540 0.006 1
1084 107 107 THR HA H 4.990 0.006 1
1085 107 107 THR HB H 3.837 0.006 1
1086 107 107 THR HG2 H 1.050 0.006 1
1087 107 107 THR CA C 62.085 0.16 1
1088 107 107 THR CB C 71.760 0.16 1
1089 107 107 THR CG2 C 22.091 0.16 1
1090 107 107 THR N N 115.842 0.12 1
1091 108 108 LEU H H 9.271 0.006 1
1092 108 108 LEU HA H 4.956 0.006 1
1093 108 108 LEU HB2 H 1.804 0.006 2
1094 108 108 LEU HB3 H 1.302 0.006 2
1095 108 108 LEU HD1 H 0.852 0.006 1
1096 108 108 LEU HD2 H 0.829 0.006 1
1097 108 108 LEU HG H 1.490 0.006 1
1098 108 108 LEU CA C 53.970 0.16 1
1099 108 108 LEU CB C 45.767 0.16 1
1100 108 108 LEU CD1 C 27.527 0.16 2
1101 108 108 LEU CD2 C 25.230 0.16 2
1102 108 108 LEU CG C 27.894 0.16 1
1103 108 108 LEU N N 127.855 0.12 1
1104 109 109 THR H H 8.374 0.006 1
1105 109 109 THR HA H 5.216 0.006 1
1106 109 109 THR HB H 3.912 0.006 1
1107 109 109 THR HG2 H 1.069 0.006 1
1108 109 109 THR CA C 62.333 0.16 1
1109 109 109 THR CB C 70.523 0.16 1
1110 109 109 THR CG2 C 22.297 0.16 1
1111 109 109 THR N N 116.534 0.12 1
1112 110 110 TYR H H 10.100 0.006 1
1113 110 110 TYR HA H 5.309 0.006 1
1114 110 110 TYR HB2 H 2.899 0.006 2
1115 110 110 TYR HB3 H 2.964 0.006 2
1116 110 110 TYR HD1 H 6.641 0.006 3
1117 110 110 TYR HD2 H 6.734 0.006 3
1118 110 110 TYR HE1 H 6.388 0.006 3
1119 110 110 TYR HE2 H 6.388 0.006 3
1120 110 110 TYR CA C 56.430 0.16 1
1121 110 110 TYR CB C 44.317 0.16 1
1122 110 110 TYR CD1 C 132.461 0.16 3
1123 110 110 TYR CD2 C 132.461 0.16 3
1124 110 110 TYR CE1 C 117.926 0.16 3
1125 110 110 TYR CE2 C 116.256 0.16 3
1126 110 110 TYR N N 125.993 0.12 1
1127 111 111 LYS H H 9.605 0.006 1
1128 111 111 LYS HA H 5.409 0.006 1
1129 111 111 LYS HB2 H 1.826 0.006 2
1130 111 111 LYS HD2 H 1.670 0.006 2
1131 111 111 LYS HE2 H 2.912 0.006 2
1132 111 111 LYS HE3 H 2.912 0.006 2
1133 111 111 LYS HG3 H 1.443 0.006 2
1134 111 111 LYS CA C 54.114 0.16 1
1135 111 111 LYS CB C 35.944 0.16 1
1136 111 111 LYS CD C 29.493 0.16 1
1137 111 111 LYS CE C 42.424 0.16 1
1138 111 111 LYS CG C 24.745 0.16 1
1139 111 111 LYS N N 120.280 0.12 1
1140 112 112 LEU H H 8.506 0.006 1
1141 112 112 LEU HA H 3.785 0.006 1
1142 112 112 LEU HB2 H 1.210 0.006 2
1143 112 112 LEU HB3 H 1.718 0.006 2
1144 112 112 LEU HD1 H 0.680 0.006 1
1145 112 112 LEU HD2 H 0.333 0.006 1
1146 112 112 LEU HG H 1.388 0.006 1
1147 112 112 LEU CA C 57.623 0.16 1
1148 112 112 LEU CB C 42.901 0.16 1
1149 112 112 LEU CD1 C 26.326 0.16 2
1150 112 112 LEU CD2 C 23.513 0.16 2
1151 112 112 LEU CG C 27.152 0.16 1
1152 112 112 LEU N N 126.477 0.12 1
1153 113 113 ALA H H 9.177 0.006 1
1154 113 113 ALA HA H 4.499 0.006 1
1155 113 113 ALA HB H 1.155 0.006 1
1156 113 113 ALA CA C 51.833 0.16 1
1157 113 113 ALA CB C 20.328 0.16 1
1158 113 113 ALA N N 133.192 0.12 1
1159 114 114 ASP H H 7.683 0.006 1
1160 114 114 ASP HA H 4.641 0.006 1
1161 114 114 ASP HB2 H 2.663 0.006 2
1162 114 114 ASP HB3 H 2.427 0.006 2
1163 114 114 ASP CA C 55.918 0.16 1
1164 114 114 ASP CB C 41.271 0.16 1
1165 114 114 ASP N N 120.812 0.12 1
1166 115 115 LEU H H 8.421 0.006 1
1167 115 115 LEU HA H 4.294 0.006 1
1168 115 115 LEU HB2 H 1.471 0.006 2
1169 115 115 LEU HB3 H 1.581 0.006 2
1170 115 115 LEU HD1 H 0.766 0.006 1
1171 115 115 LEU HD2 H 0.820 0.006 1
1172 115 115 LEU HG H 1.551 0.006 1
1173 115 115 LEU CA C 55.132 0.16 1
1174 115 115 LEU CB C 42.671 0.16 1
1175 115 115 LEU CD1 C 23.346 0.16 2
1176 115 115 LEU CD2 C 25.283 0.16 2
1177 115 115 LEU CG C 27.273 0.16 1
1178 115 115 LEU N N 121.673 0.12 1
1179 116 116 MET H H 8.289 0.006 1
1180 116 116 MET HA H 4.423 0.006 1
1181 116 116 MET HB2 H 2.046 0.006 2
1182 116 116 MET HB3 H 1.898 0.006 2
1183 116 116 MET HE H 2.010 0.006 1
1184 116 116 MET HG2 H 2.446 0.006 2
1185 116 116 MET HG3 H 2.527 0.006 2
1186 116 116 MET CA C 55.515 0.16 1
1187 116 116 MET CB C 33.318 0.16 1
1188 116 116 MET CE C 17.057 0.16 1
1189 116 116 MET CG C 32.381 0.16 1
1190 116 116 MET N N 121.126 0.12 1
1191 117 117 ASN H H 7.906 0.006 1
1192 117 117 ASN HA H 4.374 0.006 1
1193 117 117 ASN HB2 H 2.586 0.006 2
1194 117 117 ASN HB3 H 2.672 0.006 2
1195 117 117 ASN HD21 H 7.410 0.006 2
1196 117 117 ASN HD22 H 6.679 0.006 2
1197 117 117 ASN CA C 55.033 0.16 1
1198 117 117 ASN CB C 40.698 0.16 1
1199 117 117 ASN N N 125.035 0.12 1
1200 117 117 ASN ND2 N 112.400 0.12 1
stop_
save_