data_15663
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Almost Complete Chemical Shift Assignments for a new calcium binding protein, EhCaM
;
_BMRB_accession_number 15663
_BMRB_flat_file_name bmr15663.str
_Entry_type original
_Submission_date 2008-02-19
_Accession_date 2008-02-19
_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 Rout 'Ashok K' . .
2 Barnwal 'Ravi P' . .
3 Chary 'Kandala V R' . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 574
"13C chemical shifts" 561
"15N chemical shifts" 135
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-08-13 update BMRB 'added PubMed ID'
2008-06-05 update BMRB 'complete entry citation'
2008-04-14 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Sequence specific 1H, 13C and 15N resonance assignments of a calmodulin-like calcium-binding protein from the protozoan parasite Entamoeba histolytica (EhCaM)'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19636930
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Rout Ashok K. .
2 Barnwal Ravi P. .
3 Padhan Narendra . .
4 Bhattacharya Alok . .
5 Chary Kandala V.R. .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_volume 2
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 77
_Page_last 79
_Year 2008
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'CaBP3 monomer'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'subunit 1' $Calcium_Binding_Protein_3
'Calcium ion' $CA
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_Calcium_Binding_Protein_3
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Calcium_Binding_Protein_3
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 151
_Mol_residue_sequence
;
MSEQKKVLTAEEQQEYKEAF
QLFDKDNDNKLTAEELGTVM
RALGANPTKQKISEIVKDYD
KDNSGKFDQETFLTIMLEYG
QEVDSTEDIKKAFEIFDKEK
NGYISASELKHVLTTLGEKL
TEQEVDDLLKEIGVEEGLIN
VDDFVKLITSK
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 SER 3 GLU 4 GLN 5 LYS
6 LYS 7 VAL 8 LEU 9 THR 10 ALA
11 GLU 12 GLU 13 GLN 14 GLN 15 GLU
16 TYR 17 LYS 18 GLU 19 ALA 20 PHE
21 GLN 22 LEU 23 PHE 24 ASP 25 LYS
26 ASP 27 ASN 28 ASP 29 ASN 30 LYS
31 LEU 32 THR 33 ALA 34 GLU 35 GLU
36 LEU 37 GLY 38 THR 39 VAL 40 MET
41 ARG 42 ALA 43 LEU 44 GLY 45 ALA
46 ASN 47 PRO 48 THR 49 LYS 50 GLN
51 LYS 52 ILE 53 SER 54 GLU 55 ILE
56 VAL 57 LYS 58 ASP 59 TYR 60 ASP
61 LYS 62 ASP 63 ASN 64 SER 65 GLY
66 LYS 67 PHE 68 ASP 69 GLN 70 GLU
71 THR 72 PHE 73 LEU 74 THR 75 ILE
76 MET 77 LEU 78 GLU 79 TYR 80 GLY
81 GLN 82 GLU 83 VAL 84 ASP 85 SER
86 THR 87 GLU 88 ASP 89 ILE 90 LYS
91 LYS 92 ALA 93 PHE 94 GLU 95 ILE
96 PHE 97 ASP 98 LYS 99 GLU 100 LYS
101 ASN 102 GLY 103 TYR 104 ILE 105 SER
106 ALA 107 SER 108 GLU 109 LEU 110 LYS
111 HIS 112 VAL 113 LEU 114 THR 115 THR
116 LEU 117 GLY 118 GLU 119 LYS 120 LEU
121 THR 122 GLU 123 GLN 124 GLU 125 VAL
126 ASP 127 ASP 128 LEU 129 LEU 130 LYS
131 GLU 132 ILE 133 GLY 134 VAL 135 GLU
136 GLU 137 GLY 138 LEU 139 ILE 140 ASN
141 VAL 142 ASP 143 ASP 144 PHE 145 VAL
146 LYS 147 LEU 148 ILE 149 THR 150 SER
151 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-06-23
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 2LC5 "Calmodulin-Like Protein From Entamoeba Histolytica: Solution Structure And Calcium-Binding Properties Of A Partially Folded Pro" 56.29 85 100.00 100.00 8.22e-52
GB EAL46322 "calmodulin, putative [Entamoeba histolytica HM-1:IMSS]" 100.00 151 100.00 100.00 6.34e-100
GB EDR29145 "calmodulin, putative [Entamoeba dispar SAW760]" 100.00 151 99.34 100.00 2.68e-99
GB EKE39237 "calmodulin, putative [Entamoeba nuttalli P19]" 100.00 151 100.00 100.00 6.34e-100
GB EMD47360 "calmodulin, putative [Entamoeba histolytica KU27]" 100.00 151 100.00 100.00 6.34e-100
GB EMH75082 "calmodulin, putative [Entamoeba histolytica HM-1:IMSS-B]" 100.00 151 100.00 100.00 6.34e-100
REF XP_001734679 "calmodulin [Entamoeba dispar SAW760]" 100.00 151 99.34 100.00 2.68e-99
REF XP_008858434 "calmodulin, putative [Entamoeba nuttalli P19]" 100.00 151 100.00 100.00 6.34e-100
REF XP_651708 "calmodulin [Entamoeba histolytica HM-1:IMSS]" 100.00 151 100.00 100.00 6.34e-100
stop_
save_
#############
# Ligands #
#############
save_CA
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "CA (CALCIUM ION)"
_BMRB_code .
_PDB_code CA
_Molecular_mass 40.078
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Mon Aug 20 19:28:44 2007
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
CA CA CA N 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Calcium_Binding_Protein_3 'E. coli' 562 Eubacteria . Escherichia coli
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$Calcium_Binding_Protein_3 'recombinant technology' . Escherichia coli . pET30a
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
$Calcium_Binding_Protein_3 1.1 mM '[U-99% 15N]'
$CA 30 mM 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Calcium_Binding_Protein_3 1.2 mM '[U-95% 13C]'
$CA 30 mM 'natural abundance'
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Calcium_Binding_Protein_3 1.1 mM '[U-99% 13C; U-99% 15N]'
$CA 30 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 2.0
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_CARA
_Saveframe_category software
_Name CARA
_Version 1.8.4
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
'peak picking'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_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_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_3
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_3
save_
save_3D_HNCO_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_3
save_
save_3D_HN(CA)CO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_Sample_label $sample_3
save_
save_3D_HN(CO)CA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_3
save_
save_3D_HNCA_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_3
save_
save_3D_1H-15N_TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_TOCSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY'
_Sample_label $sample_1
save_
save_3D_C(CO)NH_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_3
save_
save_3D_H(CCO)NH_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_3
save_
save_3D_1H-13C_NOESY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_2
save_
save_3D_HCCH-TOCSY_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_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
pH 7.0 0.1 pH
pressure 1 . atm
temperature 303 0.1 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 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 . 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_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D CBCA(CO)NH'
'3D HNCACB'
'3D HNCO'
'3D HN(CA)CO'
'3D HN(CO)CA'
'3D HNCA'
'3D C(CO)NH'
'3D H(CCO)NH'
stop_
loop_
_Sample_label
$sample_1
$sample_2
$sample_3
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'subunit 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 3 3 GLU HA H 4.29 0.05 1
2 3 3 GLU HB2 H 2.22 0.05 1
3 3 3 GLU HB3 H 2.19 0.05 1
4 3 3 GLU HG2 H 2.97 0.05 1
5 3 3 GLU C C 172.78 0.15 1
6 3 3 GLU CA C 57.21 0.15 1
7 3 3 GLU CB C 31.17 0.15 1
8 3 3 GLU CG C 36.71 0.15 1
9 4 4 GLN H H 8.42 0.05 1
10 4 4 GLN HA H 4.24 0.05 1
11 4 4 GLN HB2 H 2.29 0.05 2
12 4 4 GLN HB3 H 2.28 0.05 2
13 4 4 GLN HG2 H 3.08 0.05 1
14 4 4 GLN C C 172.78 0.15 1
15 4 4 GLN CA C 56.56 0.15 1
16 4 4 GLN CB C 30.34 0.15 1
17 4 4 GLN CG C 34.39 0.15 1
18 4 4 GLN N N 121.92 0.15 1
19 5 5 LYS H H 8.36 0.05 1
20 5 5 LYS HA H 4.23 0.05 1
21 5 5 LYS HB2 H 1.66 0.05 1
22 5 5 LYS HD2 H 1.65 0.05 1
23 5 5 LYS HE2 H 2.92 0.05 1
24 5 5 LYS HG2 H 1.33 0.05 1
25 5 5 LYS C C 173.22 0.15 1
26 5 5 LYS CA C 57.07 0.15 1
27 5 5 LYS CB C 34.06 0.15 1
28 5 5 LYS CD C 30.05 0.15 1
29 5 5 LYS CE C 42.76 0.15 1
30 5 5 LYS CG C 25.44 0.15 1
31 5 5 LYS N N 124.13 0.15 1
32 6 6 LYS H H 8.43 0.05 1
33 6 6 LYS HA H 4.28 0.05 1
34 6 6 LYS HB2 H 1.66 0.05 1
35 6 6 LYS HD2 H 1.64 0.05 2
36 6 6 LYS HE2 H 2.91 0.05 1
37 6 6 LYS HG2 H 1.34 0.05 1
38 6 6 LYS C C 172.47 0.15 1
39 6 6 LYS CA C 57.19 0.15 1
40 6 6 LYS CB C 34.17 0.15 1
41 6 6 LYS CD C 29.76 0.15 1
42 6 6 LYS CE C 42.92 0.15 1
43 6 6 LYS CG C 25.72 0.15 1
44 6 6 LYS N N 123.87 0.15 1
45 7 7 VAL H H 7.74 0.05 1
46 7 7 VAL HA H 4.32 0.05 1
47 7 7 VAL HB H 1.99 0.05 1
48 7 7 VAL HG1 H 0.79 0.05 2
49 7 7 VAL HG2 H 0.78 0.05 2
50 7 7 VAL C C 172.68 0.15 1
51 7 7 VAL CA C 60.82 0.15 1
52 7 7 VAL CB C 35.84 0.15 1
53 7 7 VAL CG1 C 21.97 0.15 1
54 7 7 VAL CG2 C 20.21 0.15 1
55 7 7 VAL N N 117.17 0.15 1
56 8 8 LEU H H 8.49 0.05 1
57 8 8 LEU HA H 4.56 0.05 1
58 8 8 LEU HB2 H 1.71 0.05 1
59 8 8 LEU HB3 H 1.39 0.05 1
60 8 8 LEU HD1 H 0.85 0.05 1
61 8 8 LEU HD2 H 0.84 0.05 1
62 8 8 LEU HG H 1.70 0.05 1
63 8 8 LEU C C 175.74 0.15 1
64 8 8 LEU CA C 54.93 0.15 1
65 8 8 LEU CB C 44.18 0.15 1
66 8 8 LEU CD1 C 24.83 0.15 1
67 8 8 LEU CD2 C 24.63 0.15 1
68 8 8 LEU CG C 27.74 0.15 1
69 8 8 LEU N N 123.76 0.15 1
70 9 9 THR H H 9.18 0.05 1
71 9 9 THR HA H 4.67 0.05 1
72 9 9 THR HB H 4.24 0.05 1
73 9 9 THR HG2 H 1.28 0.05 1
74 9 9 THR C C 172.46 0.15 1
75 9 9 THR CA C 62.02 0.15 1
76 9 9 THR CB C 71.89 0.15 1
77 9 9 THR CG2 C 22.78 0.15 1
78 9 9 THR N N 115.37 0.15 1
79 10 10 ALA H H 8.92 0.05 1
80 10 10 ALA HA H 3.90 0.05 1
81 10 10 ALA HB H 1.38 0.05 1
82 10 10 ALA C C 177.83 0.15 1
83 10 10 ALA CA C 56.32 0.15 1
84 10 10 ALA CB C 18.77 0.15 1
85 10 10 ALA N N 124.06 0.15 1
86 11 11 GLU H H 8.62 0.05 1
87 11 11 GLU HA H 3.90 0.05 1
88 11 11 GLU HB2 H 2.21 0.05 1
89 11 11 GLU HB3 H 1.85 0.05 1
90 11 11 GLU HG2 H 2.26 0.05 1
91 11 11 GLU C C 176.40 0.15 1
92 11 11 GLU CA C 60.96 0.15 1
93 11 11 GLU CB C 29.78 0.15 1
94 11 11 GLU CG C 37.58 0.15 1
95 11 11 GLU N N 117.86 0.15 1
96 12 12 GLU H H 7.64 0.05 1
97 12 12 GLU HA H 3.57 0.05 1
98 12 12 GLU HB2 H 2.10 0.05 1
99 12 12 GLU HB3 H 2.05 0.05 1
100 12 12 GLU HG2 H 2.77 0.05 2
101 12 12 GLU C C 174.85 0.15 1
102 12 12 GLU CA C 59.45 0.15 1
103 12 12 GLU CB C 31.19 0.15 1
104 12 12 GLU CG C 37.86 0.15 1
105 12 12 GLU N N 121.15 0.15 1
106 13 13 GLN H H 8.31 0.05 1
107 13 13 GLN HA H 3.56 0.05 1
108 13 13 GLN HB2 H 2.04 0.05 2
109 13 13 GLN HB3 H 2.04 0.05 2
110 13 13 GLN HG2 H 2.37 0.05 1
111 13 13 GLN C C 174.98 0.15 1
112 13 13 GLN CA C 61.08 0.15 1
113 13 13 GLN CB C 29.48 0.15 1
114 13 13 GLN CG C 36.08 0.15 1
115 13 13 GLN N N 115.75 0.15 1
116 14 14 GLN H H 7.69 0.05 1
117 14 14 GLN HA H 3.91 0.05 1
118 14 14 GLN HB2 H 2.37 0.05 1
119 14 14 GLN HB3 H 2.32 0.05 1
120 14 14 GLN C C 175.09 0.15 1
121 14 14 GLN CA C 59.81 0.15 1
122 14 14 GLN CB C 28.90 0.15 1
123 14 14 GLN CG C 33.80 0.15 1
124 14 14 GLN N N 117.15 0.15 1
125 15 15 GLU H H 7.93 0.05 1
126 15 15 GLU HA H 4.01 0.05 1
127 15 15 GLU HB2 H 2.29 0.05 1
128 15 15 GLU HB3 H 2.24 0.05 1
129 15 15 GLU C C 177.49 0.15 1
130 15 15 GLU CA C 60.08 0.15 1
131 15 15 GLU CB C 30.05 0.15 1
132 15 15 GLU CG C 36.68 0.15 1
133 15 15 GLU N N 119.98 0.15 1
134 16 16 TYR H H 8.71 0.05 1
135 16 16 TYR HA H 4.75 0.05 1
136 16 16 TYR HB2 H 3.10 0.05 1
137 16 16 TYR HB3 H 3.06 0.05 1
138 16 16 TYR C C 175.75 0.15 1
139 16 16 TYR CA C 58.92 0.15 1
140 16 16 TYR CB C 36.97 0.15 1
141 16 16 TYR N N 119.52 0.15 1
142 17 17 LYS H H 8.46 0.05 1
143 17 17 LYS HA H 3.96 0.05 1
144 17 17 LYS HB2 H 1.87 0.05 1
145 17 17 LYS HB3 H 1.57 0.05 1
146 17 17 LYS HD2 H 1.88 0.05 2
147 17 17 LYS HE2 H 2.78 0.05 1
148 17 17 LYS HG2 H 1.12 0.05 1
149 17 17 LYS C C 176.27 0.15 1
150 17 17 LYS CA C 61.86 0.15 1
151 17 17 LYS CB C 33.22 0.15 1
152 17 17 LYS CD C 30.36 0.15 1
153 17 17 LYS CE C 42.76 0.15 1
154 17 17 LYS CG C 27.47 0.15 1
155 17 17 LYS N N 120.64 0.15 1
156 18 18 GLU H H 8.21 0.05 1
157 18 18 GLU HA H 4.07 0.05 1
158 18 18 GLU HB2 H 2.25 0.05 1
159 18 18 GLU HB3 H 2.21 0.05 1
160 18 18 GLU C C 176.43 0.15 1
161 18 18 GLU CA C 60.41 0.15 1
162 18 18 GLU CB C 30.04 0.15 1
163 18 18 GLU CG C 37.32 0.15 1
164 18 18 GLU N N 119.19 0.15 1
165 19 19 ALA H H 8.01 0.05 1
166 19 19 ALA HA H 4.31 0.05 1
167 19 19 ALA HB H 1.66 0.05 1
168 19 19 ALA C C 175.64 0.15 1
169 19 19 ALA CA C 56.17 0.15 1
170 19 19 ALA CB C 19.36 0.15 1
171 19 19 ALA N N 122.48 0.15 1
172 20 20 PHE H H 8.31 0.05 1
173 20 20 PHE HA H 3.47 0.05 1
174 20 20 PHE HB2 H 2.81 0.05 2
175 20 20 PHE HB3 H 2.81 0.05 2
176 20 20 PHE C C 173.02 0.15 1
177 20 20 PHE CA C 62.83 0.15 1
178 20 20 PHE CB C 39.82 0.15 1
179 20 20 PHE N N 118.51 0.15 1
180 21 21 GLN H H 7.78 0.05 1
181 21 21 GLN HA H 4.07 0.05 1
182 21 21 GLN HB2 H 2.17 0.05 1
183 21 21 GLN HG2 H 2.64 0.05 1
184 21 21 GLN C C 176.27 0.15 1
185 21 21 GLN CA C 59.19 0.15 1
186 21 21 GLN CB C 29.45 0.15 1
187 21 21 GLN CG C 34.70 0.15 1
188 21 21 GLN N N 113.26 0.15 1
189 22 22 LEU H H 7.90 0.05 1
190 22 22 LEU HA H 3.91 0.05 1
191 22 22 LEU HB2 H 2.33 0.05 1
192 22 22 LEU HB3 H 1.55 0.05 1
193 22 22 LEU HD1 H 1 0.05 1
194 22 22 LEU HD2 H 0.68 0.05 1
195 22 22 LEU HG H 1.51 0.05 1
196 22 22 LEU C C 175.78 0.15 1
197 22 22 LEU CA C 58.20 0.15 1
198 22 22 LEU CB C 43.03 0.15 1
199 22 22 LEU CD1 C 24.84 0.15 1
200 22 22 LEU CD2 C 21.95 0.15 1
201 22 22 LEU CG C 27.24 0.15 1
202 22 22 LEU N N 120.40 0.15 1
203 23 23 PHE H H 7.66 0.05 1
204 23 23 PHE HA H 4.07 0.05 1
205 23 23 PHE HB2 H 2.97 0.05 1
206 23 23 PHE HB3 H 2.40 0.05 1
207 23 23 PHE C C 171.93 0.15 1
208 23 23 PHE CA C 60.56 0.15 1
209 23 23 PHE CB C 39.42 0.15 1
210 23 23 PHE N N 114.43 0.15 1
211 24 24 ASP H H 7.18 0.05 1
212 24 24 ASP HA H 4.67 0.05 1
213 24 24 ASP HB2 H 2.70 0.05 1
214 24 24 ASP HB3 H 1.99 0.05 1
215 24 24 ASP C C 174.98 0.15 1
216 24 24 ASP CA C 53.56 0.15 1
217 24 24 ASP CB C 39.58 0.15 1
218 24 24 ASP N N 120.79 0.15 1
219 25 25 LYS H H 8 0.05 1
220 25 25 LYS HA H 3.96 0.05 1
221 25 25 LYS HB2 H 1.77 0.05 1
222 25 25 LYS HB3 H 1.45 0.05 1
223 25 25 LYS HE2 H 2.92 0.05 1
224 25 25 LYS HG2 H 1.46 0.05 1
225 25 25 LYS C C 174.30 0.15 1
226 25 25 LYS CA C 59.32 0.15 1
227 25 25 LYS CB C 33.22 0.15 1
228 25 25 LYS CD C 29.49 0.15 1
229 25 25 LYS CE C 42.77 0.15 1
230 25 25 LYS CG C 25.45 0.15 1
231 25 25 LYS N N 125.19 0.15 1
232 26 26 ASP H H 8.19 0.05 1
233 26 26 ASP HA H 4.50 0.05 1
234 26 26 ASP HB2 H 2.92 0.05 1
235 26 26 ASP HB3 H 2.43 0.05 1
236 26 26 ASP C C 172.92 0.15 1
237 26 26 ASP CA C 53.06 0.15 1
238 26 26 ASP CB C 39.60 0.15 1
239 26 26 ASP N N 114.05 0.15 1
240 27 27 ASN H H 7.57 0.05 1
241 27 27 ASN HA H 4.45 0.05 1
242 27 27 ASN HB2 H 2.98 0.05 1
243 27 27 ASN HB3 H 2.66 0.05 1
244 27 27 ASN C C 171.36 0.15 1
245 27 27 ASN CA C 55.56 0.15 1
246 27 27 ASN CB C 38.19 0.15 1
247 27 27 ASN N N 114.67 0.15 1
248 28 28 ASP H H 8.39 0.05 1
249 28 28 ASP HA H 4.67 0.05 1
250 28 28 ASP HB2 H 2.91 0.05 1
251 28 28 ASP HB3 H 2.32 0.05 1
252 28 28 ASP C C 174.11 0.15 1
253 28 28 ASP CA C 53.68 0.15 1
254 28 28 ASP CB C 41.03 0.15 1
255 28 28 ASP N N 117.49 0.15 1
256 29 29 ASN H H 10.37 0.05 1
257 29 29 ASN HA H 4.34 0.05 1
258 29 29 ASN HB2 H 3.19 0.05 1
259 29 29 ASN HB3 H 2.87 0.05 1
260 29 29 ASN C C 171.16 0.15 1
261 29 29 ASN CA C 55.18 0.15 1
262 29 29 ASN CB C 38.75 0.15 1
263 29 29 ASN N N 118.91 0.15 1
264 30 30 LYS H H 7.65 0.05 1
265 30 30 LYS HA H 5.11 0.05 1
266 30 30 LYS HB2 H 1.61 0.05 1
267 30 30 LYS HB3 H 1.28 0.05 1
268 30 30 LYS HE2 H 2.92 0.05 1
269 30 30 LYS HG2 H 1.26 0.05 1
270 30 30 LYS C C 172.50 0.15 1
271 30 30 LYS CA C 54.94 0.15 1
272 30 30 LYS CB C 38.99 0.15 1
273 30 30 LYS CD C 29.97 0.15 1
274 30 30 LYS CE C 43.38 0.15 1
275 30 30 LYS CG C 25.94 0.15 1
276 30 30 LYS N N 114.13 0.15 1
277 31 31 LEU H H 9.30 0.05 1
278 31 31 LEU HA H 5.33 0.05 1
279 31 31 LEU HB2 H 1.44 0.05 1
280 31 31 LEU HB3 H 0.90 0.05 1
281 31 31 LEU HD1 H 0.07 0.05 1
282 31 31 LEU HD2 H 0.05 0.05 1
283 31 31 LEU HG H 1.43 0.05 1
284 31 31 LEU C C 175.17 0.15 1
285 31 31 LEU CA C 53.42 0.15 1
286 31 31 LEU CB C 44.94 0.15 1
287 31 31 LEU CD1 C 26.32 0.15 1
288 31 31 LEU CD2 C 21.98 0.15 1
289 31 31 LEU CG C 28.33 0.15 1
290 31 31 LEU N N 123.13 0.15 1
291 32 32 THR H H 9.12 0.05 1
292 32 32 THR HA H 4.83 0.05 1
293 32 32 THR HB H 4.36 0.05 1
294 32 32 THR HG2 H 1.32 0.05 1
295 32 32 THR C C 172.47 0.15 1
296 32 32 THR CA C 61.57 0.15 1
297 32 32 THR CB C 72.23 0.15 1
298 32 32 THR CG2 C 23.12 0.15 1
299 32 32 THR N N 112.86 0.15 1
300 33 33 ALA H H 8.84 0.05 1
301 33 33 ALA HA H 3.95 0.05 1
302 33 33 ALA HB H 1.44 0.05 1
303 33 33 ALA C C 177.06 0.15 1
304 33 33 ALA CA C 56.87 0.15 1
305 33 33 ALA CB C 18.80 0.15 1
306 33 33 ALA N N 121.62 0.15 1
307 34 34 GLU H H 8.28 0.05 1
308 34 34 GLU HA H 4.01 0.05 1
309 34 34 GLU HB2 H 2.21 0.05 2
310 34 34 GLU HB3 H 2.21 0.05 2
311 34 34 GLU C C 176.84 0.15 1
312 34 34 GLU CA C 60.31 0.15 1
313 34 34 GLU CB C 30.34 0.15 1
314 34 34 GLU CG C 37.02 0.15 1
315 34 34 GLU N N 117.65 0.15 1
316 35 35 GLU H H 7.71 0.05 1
317 35 35 GLU HA H 4.01 0.05 1
318 35 35 GLU HB2 H 2.37 0.05 1
319 35 35 GLU HB3 H 1.91 0.05 1
320 35 35 GLU C C 175.63 0.15 1
321 35 35 GLU CA C 59.56 0.15 1
322 35 35 GLU CB C 31.81 0.15 1
323 35 35 GLU CG C 37.81 0.15 1
324 35 35 GLU N N 120.87 0.15 1
325 36 36 LEU H H 8.84 0.05 1
326 36 36 LEU HA H 3.74 0.05 1
327 36 36 LEU HB2 H 1.83 0.05 1
328 36 36 LEU HB3 H 1.23 0.05 2
329 36 36 LEU HD1 H 0.61 0.05 1
330 36 36 LEU HD2 H 0.29 0.05 1
331 36 36 LEU HG H 1.23 0.05 1
332 36 36 LEU C C 175.65 0.15 1
333 36 36 LEU CA C 58.46 0.15 1
334 36 36 LEU CB C 42.22 0.15 1
335 36 36 LEU CD1 C 25.34 0.15 1
336 36 36 LEU CD2 C 24.69 0.15 1
337 36 36 LEU CG C 26.63 0.15 1
338 36 36 LEU N N 119.89 0.15 1
339 37 37 GLY H H 7.99 0.05 1
340 37 37 GLY HA2 H 3.85 0.05 1
341 37 37 GLY HA3 H 3.36 0.05 1
342 37 37 GLY C C 172.36 0.15 1
343 37 37 GLY CA C 48.29 0.15 1
344 37 37 GLY N N 104.58 0.15 1
345 38 38 THR H H 7.46 0.05 1
346 38 38 THR HA H 4.17 0.05 1
347 38 38 THR HB H 3.72 0.05 1
348 38 38 THR HG2 H 1.11 0.05 1
349 38 38 THR C C 174.27 0.15 1
350 38 38 THR CA C 67.21 0.15 1
351 38 38 THR CB C 69.04 0.15 1
352 38 38 THR CG2 C 23.41 0.15 1
353 38 38 THR N N 116.80 0.15 1
354 39 39 VAL H H 8.03 0.05 1
355 39 39 VAL HA H 3.95 0.05 1
356 39 39 VAL HB H 2.92 0.05 1
357 39 39 VAL HG1 H 0.67 0.05 1
358 39 39 VAL HG2 H 0.56 0.05 2
359 39 39 VAL C C 173.66 0.15 1
360 39 39 VAL CA C 65.82 0.15 1
361 39 39 VAL CB C 31.48 0.15 1
362 39 39 VAL CG1 C 25.14 0.15 1
363 39 39 VAL CG2 C 22.85 0.15 1
364 39 39 VAL N N 123.08 0.15 1
365 40 40 MET H H 8.24 0.05 1
366 40 40 MET HA H 3.58 0.05 1
367 40 40 MET HB2 H 2.16 0.05 1
368 40 40 MET HG2 H 2.76 0.05 1
369 40 40 MET C C 175.63 0.15 1
370 40 40 MET CA C 61.82 0.15 1
371 40 40 MET CB C 33.80 0.15 1
372 40 40 MET CE C 15.14 0.15 1
373 40 40 MET CG C 34.09 0.15 1
374 40 40 MET N N 119.38 0.15 1
375 41 41 ARG H H 7.72 0.05 1
376 41 41 ARG HA H 4.34 0.05 1
377 41 41 ARG HB2 H 1.77 0.05 1
378 41 41 ARG HB3 H 1.72 0.05 1
379 41 41 ARG HD2 H 3.14 0.05 1
380 41 41 ARG HD3 H 3.14 0.05 1
381 41 41 ARG C C 177.60 0.15 1
382 41 41 ARG CA C 59.71 0.15 1
383 41 41 ARG CB C 30.85 0.15 1
384 41 41 ARG CD C 43.95 0.15 1
385 41 41 ARG CG C 29.31 0.15 1
386 41 41 ARG N N 117.62 0.15 1
387 42 42 ALA H H 7.73 0.05 1
388 42 42 ALA HA H 4.28 0.05 1
389 42 42 ALA HB H 1.39 0.05 1
390 42 42 ALA C C 176.53 0.15 1
391 42 42 ALA CA C 55.68 0.15 1
392 42 42 ALA CB C 19.13 0.15 1
393 42 42 ALA N N 124.45 0.15 1
394 43 43 LEU H H 7.50 0.05 1
395 43 43 LEU HA H 4.34 0.05 1
396 43 43 LEU HB2 H 1.67 0.05 1
397 43 43 LEU HB3 H 1.65 0.05 1
398 43 43 LEU HD1 H 0.88 0.05 1
399 43 43 LEU HD2 H 0.82 0.05 1
400 43 43 LEU C C 174.34 0.15 1
401 43 43 LEU CA C 55.24 0.15 1
402 43 43 LEU CB C 43.06 0.15 1
403 43 43 LEU CD1 C 23.12 0.15 1
404 43 43 LEU CG C 27.18 0.15 1
405 43 43 LEU N N 116.05 0.15 1
406 44 44 GLY H H 7.68 0.05 1
407 44 44 GLY HA2 H 4.23 0.05 1
408 44 44 GLY HA3 H 3.74 0.05 1
409 44 44 GLY C C 171.18 0.15 1
410 44 44 GLY CA C 46.42 0.15 1
411 44 44 GLY N N 107.05 0.15 1
412 45 45 ALA H H 7.97 0.05 1
413 45 45 ALA HA H 4.42 0.05 1
414 45 45 ALA HB H 1.01 0.05 1
415 45 45 ALA C C 172.68 0.15 1
416 45 45 ALA CA C 52.06 0.15 1
417 45 45 ALA CB C 20.51 0.15 1
418 45 45 ALA N N 122.61 0.15 1
419 46 46 ASN H H 8.38 0.05 1
420 46 46 ASN HA H 4.65 0.05 1
421 46 46 ASN HB2 H 2.82 0.05 1
422 46 46 ASN HB3 H 2.53 0.05 1
423 46 46 ASN C C 169.40 0.15 1
424 46 46 ASN CA C 52.57 0.15 1
425 46 46 ASN CB C 39.81 0.15 1
426 46 46 ASN N N 114.89 0.15 1
427 47 47 PRO HA H 4.50 0.05 1
428 47 47 PRO HB2 H 1.93 0.05 1
429 47 47 PRO HB3 H 1.88 0.05 1
430 47 47 PRO HD2 H 3.47 0.05 1
431 47 47 PRO HD3 H 3.08 0.05 1
432 47 47 PRO C C 173.73 0.15 1
433 47 47 PRO CA C 63.44 0.15 1
434 47 47 PRO CB C 31.72 0.15 1
435 47 47 PRO CD C 50.57 0.15 1
436 47 47 PRO CG C 27.80 0.15 1
437 48 48 THR H H 7.56 0.05 1
438 48 48 THR HA H 4.77 0.05 1
439 48 48 THR HB H 4.36 0.05 1
440 48 48 THR HG2 H 1.29 0.05 1
441 48 48 THR C C 171.98 0.15 1
442 48 48 THR CA C 61.09 0.15 1
443 48 48 THR CB C 72.22 0.15 1
444 48 48 THR CG2 C 23.11 0.15 1
445 48 48 THR N N 112.53 0.15 1
446 49 49 LYS H H 8.81 0.05 1
447 49 49 LYS HA H 3.85 0.05 1
448 49 49 LYS HB2 H 1.61 0.05 2
449 49 49 LYS HB3 H 1.61 0.05 2
450 49 49 LYS HE2 H 3.02 0.05 1
451 49 49 LYS HE3 H 2.99 0.05 1
452 49 49 LYS HG2 H 1.28 0.05 1
453 49 49 LYS C C 176.61 0.15 1
454 49 49 LYS CA C 60.79 0.15 1
455 49 49 LYS CB C 32.60 0.15 1
456 49 49 LYS CD C 30.05 0.15 1
457 49 49 LYS CG C 25.74 0.15 1
458 49 49 LYS N N 121.38 0.15 1
459 50 50 GLN H H 8.38 0.05 1
460 50 50 GLN HA H 4.01 0.05 1
461 50 50 GLN HB2 H 2.37 0.05 2
462 50 50 GLN HG2 H 2.37 0.05 2
463 50 50 GLN C C 175.30 0.15 1
464 50 50 GLN CA C 59.80 0.15 1
465 50 50 GLN CB C 28.73 0.15 1
466 50 50 GLN CG C 34.36 0.15 1
467 50 50 GLN N N 118.82 0.15 1
468 51 51 LYS H H 7.87 0.05 1
469 51 51 LYS HA H 4.07 0.05 1
470 51 51 LYS HB2 H 1.83 0.05 2
471 51 51 LYS HB3 H 1.83 0.05 2
472 51 51 LYS HG2 H 1.44 0.05 1
473 51 51 LYS C C 175.85 0.15 1
474 51 51 LYS CA C 59.07 0.15 1
475 51 51 LYS CB C 32.65 0.15 1
476 51 51 LYS CD C 29.19 0.15 1
477 51 51 LYS CE C 42.50 0.15 1
478 51 51 LYS CG C 25.15 0.15 1
479 51 51 LYS N N 121.90 0.15 1
480 52 52 ILE H H 8.24 0.05 1
481 52 52 ILE HA H 3.58 0.05 1
482 52 52 ILE HB H 1.94 0.05 1
483 52 52 ILE HD1 H 0.78 0.05 1
484 52 52 ILE HG12 H 1.39 0.05 1
485 52 52 ILE HG13 H 1.17 0.05 1
486 52 52 ILE HG2 H 0.81 0.05 1
487 52 52 ILE C C 174.54 0.15 1
488 52 52 ILE CA C 64.33 0.15 1
489 52 52 ILE CB C 36.96 0.15 1
490 52 52 ILE CD1 C 11.57 0.15 1
491 52 52 ILE CG1 C 28.61 0.15 1
492 52 52 ILE CG2 C 17.92 0.15 1
493 52 52 ILE N N 118.52 0.15 1
494 53 53 SER H H 7.89 0.05 1
495 53 53 SER HA H 4.01 0.05 1
496 53 53 SER HB2 H 3.96 0.05 1
497 53 53 SER HG H 6.09 0.05 1
498 53 53 SER C C 174.38 0.15 1
499 53 53 SER CA C 62.95 0.15 1
500 53 53 SER CB C 63.25 0.15 1
501 53 53 SER N N 114.68 0.15 1
502 54 54 GLU H H 7.72 0.05 1
503 54 54 GLU HA H 3.96 0.05 1
504 54 54 GLU HB2 H 2.33 0.05 1
505 54 54 GLU HB3 H 2.28 0.05 1
506 54 54 GLU C C 175.19 0.15 1
507 54 54 GLU CA C 60.07 0.15 1
508 54 54 GLU CB C 30.33 0.15 1
509 54 54 GLU CG C 36.99 0.15 1
510 54 54 GLU N N 123.30 0.15 1
511 55 55 ILE H H 8.23 0.05 1
512 55 55 ILE HA H 3.79 0.05 1
513 55 55 ILE HB H 1.64 0.05 1
514 55 55 ILE HD1 H 0.52 0.05 1
515 55 55 ILE HG2 H 0.52 0.05 1
516 55 55 ILE C C 175.53 0.15 1
517 55 55 ILE CA C 66.34 0.15 1
518 55 55 ILE CB C 39 0.15 1
519 55 55 ILE CD1 C 14.74 0.15 1
520 55 55 ILE CG1 C 30.35 0.15 1
521 55 55 ILE CG2 C 18.78 0.15 1
522 55 55 ILE N N 121.81 0.15 1
523 56 56 VAL H H 8.51 0.05 1
524 56 56 VAL HA H 3.73 0.05 1
525 56 56 VAL HB H 2.23 0.05 1
526 56 56 VAL HG1 H 1.06 0.05 2
527 56 56 VAL HG2 H 1.06 0.05 2
528 56 56 VAL C C 175.19 0.15 1
529 56 56 VAL CA C 67.46 0.15 1
530 56 56 VAL CB C 32.64 0.15 1
531 56 56 VAL CG1 C 22.82 0.15 1
532 56 56 VAL CG2 C 22.56 0.15 1
533 56 56 VAL N N 118.77 0.15 1
534 57 57 LYS H H 7.53 0.05 1
535 57 57 LYS HA H 4.07 0.05 1
536 57 57 LYS HB2 H 1.89 0.05 1
537 57 57 LYS HB3 H 1.86 0.05 1
538 57 57 LYS HD2 H 1.52 0.05 1
539 57 57 LYS HD3 H 1.46 0.05 1
540 57 57 LYS HE2 H 2.92 0.05 1
541 57 57 LYS C C 175.96 0.15 1
542 57 57 LYS CA C 59.84 0.15 1
543 57 57 LYS CB C 32.95 0.15 1
544 57 57 LYS CD C 29.90 0.15 1
545 57 57 LYS CE C 42.75 0.15 1
546 57 57 LYS CG C 25.27 0.15 1
547 57 57 LYS N N 118.30 0.15 1
548 58 58 ASP H H 8.19 0.05 1
549 58 58 ASP HA H 4.34 0.05 1
550 58 58 ASP HB2 H 2.54 0.05 1
551 58 58 ASP HB3 H 2.04 0.05 1
552 58 58 ASP C C 175.52 0.15 1
553 58 58 ASP CA C 57.19 0.15 1
554 58 58 ASP CB C 42.16 0.15 1
555 58 58 ASP N N 117.17 0.15 1
556 59 59 TYR H H 8.49 0.05 1
557 59 59 TYR HA H 4.65 0.05 1
558 59 59 TYR HB2 H 3.19 0.05 1
559 59 59 TYR HB3 H 2.86 0.05 1
560 59 59 TYR C C 173.22 0.15 1
561 59 59 TYR CA C 60.32 0.15 1
562 59 59 TYR CB C 39.85 0.15 1
563 59 59 TYR N N 114.23 0.15 1
564 60 60 ASP H H 8.03 0.05 1
565 60 60 ASP HA H 5 0.05 1
566 60 60 ASP HB2 H 3.19 0.05 1
567 60 60 ASP HB3 H 2.50 0.05 1
568 60 60 ASP C C 174.39 0.15 1
569 60 60 ASP CA C 54.02 0.15 1
570 60 60 ASP CB C 41 0.15 1
571 60 60 ASP N N 121.99 0.15 1
572 61 61 LYS H H 8.21 0.05 1
573 61 61 LYS HA H 4.12 0.05 1
574 61 61 LYS HB2 H 1.76 0.05 1
575 61 61 LYS HE2 H 3.02 0.05 1
576 61 61 LYS HE3 H 2.64 0.05 1
577 61 61 LYS HG2 H 1.44 0.05 1
578 61 61 LYS C C 174.54 0.15 1
579 61 61 LYS CA C 58.94 0.15 1
580 61 61 LYS CB C 33.46 0.15 1
581 61 61 LYS CD C 29.49 0.15 1
582 61 61 LYS CE C 42.50 0.15 1
583 61 61 LYS CG C 25.44 0.15 1
584 61 61 LYS N N 123.28 0.15 1
585 62 62 ASP H H 8.28 0.05 1
586 62 62 ASP HA H 4.64 0.05 1
587 62 62 ASP HB2 H 2.72 0.05 1
588 62 62 ASP HB3 H 2.62 0.05 1
589 62 62 ASP C C 173.19 0.15 1
590 62 62 ASP CA C 54.06 0.15 1
591 62 62 ASP CB C 41.28 0.15 1
592 62 62 ASP N N 116.74 0.15 1
593 63 63 ASN H H 8.02 0.05 1
594 63 63 ASN HA H 4.29 0.05 1
595 63 63 ASN HB2 H 2.97 0.05 1
596 63 63 ASN HB3 H 2.70 0.05 1
597 63 63 ASN C C 172.02 0.15 1
598 63 63 ASN CA C 55.56 0.15 1
599 63 63 ASN CB C 38.13 0.15 1
600 63 63 ASN N N 116.64 0.15 1
601 64 64 SER H H 9.11 0.05 1
602 64 64 SER HA H 4.23 0.05 1
603 64 64 SER HB2 H 3.75 0.05 1
604 64 64 SER HB3 H 3.71 0.05 1
605 64 64 SER HG H 5.10 0.05 1
606 64 64 SER C C 173.95 0.15 1
607 64 64 SER CA C 60.41 0.15 1
608 64 64 SER CB C 65.60 0.15 1
609 64 64 SER N N 116.19 0.15 1
610 65 65 GLY H H 10.28 0.05 1
611 65 65 GLY HA2 H 3.90 0.05 1
612 65 65 GLY HA3 H 3.36 0.05 1
613 65 65 GLY C C 170.20 0.15 1
614 65 65 GLY CA C 46.55 0.15 1
615 65 65 GLY N N 115.58 0.15 1
616 66 66 LYS H H 7.28 0.05 1
617 66 66 LYS HA H 4.84 0.05 1
618 66 66 LYS HB2 H 1.36 0.05 1
619 66 66 LYS HB3 H 1.31 0.05 1
620 66 66 LYS HE2 H 2.83 0.05 1
621 66 66 LYS HE3 H 2.81 0.05 1
622 66 66 LYS HG2 H 1 0.05 1
623 66 66 LYS C C 172.03 0.15 1
624 66 66 LYS CA C 54.92 0.15 1
625 66 66 LYS CB C 38.13 0.15 1
626 66 66 LYS CD C 30.09 0.15 1
627 66 66 LYS CE C 43.05 0.15 1
628 66 66 LYS CG C 26.10 0.15 1
629 66 66 LYS N N 116.52 0.15 1
630 67 67 PHE H H 9.14 0.05 1
631 67 67 PHE HA H 4.89 0.05 1
632 67 67 PHE HB2 H 2.86 0.05 1
633 67 67 PHE HB3 H 2.81 0.05 1
634 67 67 PHE C C 172.68 0.15 1
635 67 67 PHE CA C 57.54 0.15 1
636 67 67 PHE CB C 42.51 0.15 1
637 67 67 PHE N N 119.25 0.15 1
638 68 68 ASP H H 8.74 0.05 1
639 68 68 ASP HA H 5.05 0.05 1
640 68 68 ASP HB2 H 3.41 0.05 1
641 68 68 ASP HB3 H 2.67 0.05 1
642 68 68 ASP C C 172.07 0.15 1
643 68 68 ASP CA C 53.18 0.15 1
644 68 68 ASP CB C 42.41 0.15 1
645 68 68 ASP N N 122.35 0.15 1
646 69 69 GLN H H 8.33 0.05 1
647 69 69 GLN HA H 3.03 0.05 1
648 69 69 GLN HB2 H 1.27 0.05 1
649 69 69 GLN HG2 H 1.61 0.05 1
650 69 69 GLN C C 174.65 0.15 1
651 69 69 GLN CA C 61.08 0.15 1
652 69 69 GLN CB C 30.60 0.15 1
653 69 69 GLN CG C 35.55 0.15 1
654 69 69 GLN N N 119.10 0.15 1
655 70 70 GLU H H 8.36 0.05 1
656 70 70 GLU HA H 3.90 0.05 1
657 70 70 GLU HB2 H 2.28 0.05 1
658 70 70 GLU HB3 H 2.24 0.05 1
659 70 70 GLU HG2 H 2.97 0.05 1
660 70 70 GLU HG3 H 2.92 0.05 1
661 70 70 GLU C C 176.84 0.15 1
662 70 70 GLU CA C 60.82 0.15 1
663 70 70 GLU CB C 30.04 0.15 1
664 70 70 GLU CG C 37.28 0.15 1
665 70 70 GLU N N 118.87 0.15 1
666 71 71 THR H H 8.59 0.05 1
667 71 71 THR HA H 4.45 0.05 1
668 71 71 THR HB H 3.96 0.05 1
669 71 71 THR HG2 H 1.51 0.05 1
670 71 71 THR C C 173.12 0.15 1
671 71 71 THR CA C 67.97 0.15 1
672 71 71 THR CB C 68.74 0.15 1
673 71 71 THR CG2 C 22.83 0.15 1
674 71 71 THR N N 118.38 0.15 1
675 72 72 PHE H H 8.81 0.05 1
676 72 72 PHE HA H 3.96 0.05 1
677 72 72 PHE HB2 H 3.30 0.05 1
678 72 72 PHE HB3 H 3.04 0.05 1
679 72 72 PHE C C 172.88 0.15 1
680 72 72 PHE CA C 61.95 0.15 1
681 72 72 PHE CB C 39.88 0.15 1
682 72 72 PHE N N 122.47 0.15 1
683 73 73 LEU H H 8.14 0.05 1
684 73 73 LEU HA H 3.36 0.05 1
685 73 73 LEU HB2 H 1.89 0.05 1
686 73 73 LEU HB3 H 1.87 0.05 1
687 73 73 LEU HD1 H 0.85 0.05 1
688 73 73 LEU HD2 H 0.83 0.05 1
689 73 73 LEU HG H 1.45 0.05 1
690 73 73 LEU C C 176.06 0.15 1
691 73 73 LEU CA C 59.58 0.15 1
692 73 73 LEU CB C 41.33 0.15 1
693 73 73 LEU CD1 C 25.58 0.15 1
694 73 73 LEU CD2 C 25.24 0.15 1
695 73 73 LEU CG C 28.60 0.15 1
696 73 73 LEU N N 118.98 0.15 1
697 74 74 THR H H 7.52 0.05 1
698 74 74 THR HA H 4.39 0.05 1
699 74 74 THR HB H 3.80 0.05 1
700 74 74 THR HG2 H 1.31 0.05 1
701 74 74 THR C C 173.33 0.15 1
702 74 74 THR CA C 67.96 0.15 1
703 74 74 THR CB C 69.30 0.15 1
704 74 74 THR CG2 C 23.42 0.15 1
705 74 74 THR N N 117.08 0.15 1
706 75 75 ILE H H 8.21 0.05 1
707 75 75 ILE HA H 3.03 0.05 1
708 75 75 ILE HB H 1.55 0.05 1
709 75 75 ILE HD1 H -0.37 0.05 1
710 75 75 ILE HG12 H 0.89 0.05 1
711 75 75 ILE HG13 H 0.43 0.05 1
712 75 75 ILE HG2 H 0.03 0.05 1
713 75 75 ILE C C 175.64 0.15 1
714 75 75 ILE CA C 66.58 0.15 1
715 75 75 ILE CB C 38.41 0.15 1
716 75 75 ILE CD1 C 15.03 0.15 1
717 75 75 ILE CG1 C 28.92 0.15 1
718 75 75 ILE CG2 C 17.35 0.15 1
719 75 75 ILE N N 123.35 0.15 1
720 76 76 MET H H 7.79 0.05 1
721 76 76 MET HA H 4.12 0.05 1
722 76 76 MET HB2 H 1.33 0.05 1
723 76 76 MET HG2 H 1.06 0.05 1
724 76 76 MET C C 177.06 0.15 1
725 76 76 MET CA C 55.94 0.15 1
726 76 76 MET CB C 30.25 0.15 1
727 76 76 MET CG C 32.08 0.15 1
728 76 76 MET N N 116.03 0.15 1
729 77 77 LEU H H 7.92 0.05 1
730 77 77 LEU HA H 4.01 0.05 1
731 77 77 LEU HB2 H 1.93 0.05 1
732 77 77 LEU HB3 H 1.50 0.05 2
733 77 77 LEU HD1 H 0.80 0.05 1
734 77 77 LEU HD2 H 0.77 0.05 1
735 77 77 LEU HG H 1.50 0.05 1
736 77 77 LEU C C 175.52 0.15 1
737 77 77 LEU CA C 58.94 0.15 1
738 77 77 LEU CB C 42.73 0.15 1
739 77 77 LEU CD1 C 26.31 0.15 1
740 77 77 LEU CD2 C 24.26 0.15 1
741 77 77 LEU CG C 27.69 0.15 1
742 77 77 LEU N N 122.47 0.15 1
743 78 78 GLU H H 7.90 0.05 1
744 78 78 GLU HA H 3.98 0.05 1
745 78 78 GLU HB2 H 1.94 0.05 1
746 78 78 GLU HB3 H 1.94 0.05 1
747 78 78 GLU HG2 H 2.26 0.05 1
748 78 78 GLU HG3 H 2.26 0.05 1
749 78 78 GLU C C 175.40 0.15 1
750 78 78 GLU CA C 59.07 0.15 1
751 78 78 GLU CB C 30.47 0.15 1
752 78 78 GLU CG C 36.98 0.15 1
753 78 78 GLU N N 117.09 0.15 1
754 79 79 TYR H H 8.46 0.05 1
755 79 79 TYR HA H 4.29 0.05 1
756 79 79 TYR HB2 H 2.85 0.05 1
757 79 79 TYR HB3 H 2.78 0.05 1
758 79 79 TYR C C 174.05 0.15 1
759 79 79 TYR CA C 61.08 0.15 1
760 79 79 TYR CB C 39.83 0.15 1
761 79 79 TYR N N 118.41 0.15 1
762 80 80 GLY H H 7.87 0.05 1
763 80 80 GLY HA2 H 3.80 0.05 2
764 80 80 GLY HA3 H 3.80 0.05 2
765 80 80 GLY C C 171.31 0.15 1
766 80 80 GLY CA C 46.79 0.15 1
767 80 80 GLY N N 108.05 0.15 1
768 81 81 GLN H H 7.87 0.05 1
769 81 81 GLN HA H 4.23 0.05 1
770 81 81 GLN HB2 H 2.34 0.05 1
771 81 81 GLN HB3 H 2.32 0.05 1
772 81 81 GLN HG2 H 2.92 0.05 1
773 81 81 GLN C C 173.41 0.15 1
774 81 81 GLN CA C 56.69 0.15 1
775 81 81 GLN CB C 30.32 0.15 1
776 81 81 GLN CG C 34.65 0.15 1
777 81 81 GLN N N 118.57 0.15 1
778 82 82 GLU H H 8.19 0.05 1
779 82 82 GLU HA H 4.23 0.05 1
780 82 82 GLU HB2 H 2.22 0.05 1
781 82 82 GLU HB3 H 2.20 0.05 1
782 82 82 GLU C C 173.90 0.15 1
783 82 82 GLU CA C 57.58 0.15 1
784 82 82 GLU CB C 30.87 0.15 1
785 82 82 GLU CG C 36.94 0.15 1
786 82 82 GLU N N 121.87 0.15 1
787 83 83 VAL H H 8.09 0.05 1
788 83 83 VAL HA H 4.01 0.05 1
789 83 83 VAL HB H 2.27 0.05 1
790 83 83 VAL HG1 H 0.84 0.05 1
791 83 83 VAL HG2 H 0.84 0.05 1
792 83 83 VAL C C 173.20 0.15 1
793 83 83 VAL CA C 63.34 0.15 1
794 83 83 VAL CB C 33.49 0.15 1
795 83 83 VAL CG1 C 21.79 0.15 1
796 83 83 VAL CG2 C 21.59 0.15 1
797 83 83 VAL N N 121.25 0.15 1
798 84 84 ASP H H 8.38 0.05 1
799 84 84 ASP HA H 4.61 0.05 1
800 84 84 ASP HB2 H 2.66 0.05 1
801 84 84 ASP HB3 H 2.63 0.05 1
802 84 84 ASP C C 173.86 0.15 1
803 84 84 ASP CA C 55.19 0.15 1
804 84 84 ASP CB C 42.19 0.15 1
805 84 84 ASP N N 124.10 0.15 1
806 85 85 SER H H 8.48 0.05 1
807 85 85 SER HA H 4.47 0.05 1
808 85 85 SER HB2 H 3.96 0.05 1
809 85 85 SER HB3 H 3.92 0.05 1
810 85 85 SER C C 172.66 0.15 1
811 85 85 SER CA C 59.82 0.15 1
812 85 85 SER CB C 64.49 0.15 1
813 85 85 SER N N 117.74 0.15 1
814 86 86 THR H H 8.34 0.05 1
815 86 86 THR HA H 4.24 0.05 1
816 86 86 THR HB H 3.96 0.05 1
817 86 86 THR HG2 H 1.17 0.05 1
818 86 86 THR C C 172.75 0.15 1
819 86 86 THR CA C 65.57 0.15 1
820 86 86 THR CB C 69.87 0.15 1
821 86 86 THR CG2 C 22.37 0.15 1
822 86 86 THR N N 116.27 0.15 1
823 87 87 GLU H H 8.21 0.05 1
824 87 87 GLU HA H 4.67 0.05 1
825 87 87 GLU HB2 H 2.21 0.05 1
826 87 87 GLU HB3 H 1.93 0.05 1
827 87 87 GLU C C 173.77 0.15 1
828 87 87 GLU CA C 59.73 0.15 1
829 87 87 GLU CB C 30.63 0.15 1
830 87 87 GLU N N 121.89 0.15 1
831 88 88 ASP C C 175.59 0.15 1
832 88 88 ASP CA C 55.56 0.15 1
833 88 88 ASP CB C 41.85 0.15 1
834 89 89 ILE H H 8.07 0.05 1
835 89 89 ILE HA H 4.06 0.05 1
836 89 89 ILE HB H 2.37 0.05 1
837 89 89 ILE C C 172.26 0.15 1
838 89 89 ILE CA C 62.33 0.15 1
839 89 89 ILE CB C 39.63 0.15 1
840 89 89 ILE CD1 C 13.85 0.15 1
841 89 89 ILE CG1 C 27.77 0.15 1
842 89 89 ILE CG2 C 18.21 0.15 1
843 89 89 ILE N N 121.46 0.15 1
844 90 90 LYS H H 8.25 0.05 1
845 90 90 LYS C C 173.46 0.15 1
846 90 90 LYS CA C 56.92 0.15 1
847 90 90 LYS CB C 33.63 0.15 1
848 90 90 LYS N N 125.39 0.15 1
849 91 91 LYS H H 8.30 0.05 1
850 91 91 LYS HA H 4.75 0.05 1
851 91 91 LYS HB2 H 2.10 0.05 1
852 91 91 LYS HB3 H 2.10 0.05 1
853 91 91 LYS HG2 H 1.33 0.05 1
854 91 91 LYS C C 172.83 0.15 1
855 91 91 LYS CA C 54.51 0.15 1
856 91 91 LYS CB C 35.70 0.15 1
857 91 91 LYS N N 121.65 0.15 1
858 92 92 ALA H H 7.85 0.05 1
859 92 92 ALA HA H 4.18 0.05 1
860 92 92 ALA HB H 1.28 0.05 1
861 92 92 ALA C C 175.18 0.15 1
862 92 92 ALA CA C 54.28 0.15 1
863 92 92 ALA CB C 19.46 0.15 1
864 92 92 ALA N N 120.98 0.15 1
865 93 93 PHE H H 7.97 0.05 1
866 93 93 PHE C C 175.09 0.15 1
867 93 93 PHE CA C 59.04 0.15 1
868 93 93 PHE N N 117.94 0.15 1
869 95 95 ILE HA H 3.25 0.05 1
870 95 95 ILE HB H 0.84 0.05 1
871 95 95 ILE HG2 H 0.24 0.05 1
872 95 95 ILE C C 176.13 0.15 1
873 95 95 ILE CA C 67.56 0.15 1
874 95 95 ILE CB C 37.06 0.15 1
875 95 95 ILE CD1 C 15.70 0.15 1
876 95 95 ILE CG1 C 24.28 0.15 1
877 95 95 ILE CG2 C 22.55 0.15 1
878 96 96 PHE H H 7.74 0.05 1
879 96 96 PHE HA H 3.19 0.05 1
880 96 96 PHE C C 175.42 0.15 1
881 96 96 PHE CA C 60.32 0.15 1
882 96 96 PHE CB C 42.62 0.15 1
883 96 96 PHE N N 120.44 0.15 1
884 97 97 ASP H H 7.54 0.05 1
885 97 97 ASP HA H 4.07 0.05 1
886 97 97 ASP HB2 H 2.86 0.05 1
887 97 97 ASP C C 175.20 0.15 1
888 97 97 ASP CA C 58.57 0.15 1
889 97 97 ASP CB C 42.19 0.15 1
890 97 97 ASP N N 119.48 0.15 1
891 98 98 LYS H H 8.15 0.05 1
892 98 98 LYS C C 177.38 0.15 1
893 98 98 LYS CA C 61.07 0.15 1
894 98 98 LYS CB C 32.66 0.15 1
895 98 98 LYS N N 117.31 0.15 1
896 99 99 GLU HA H 3.79 0.05 1
897 99 99 GLU C C 176.36 0.15 1
898 99 99 GLU CA C 60.94 0.15 1
899 99 99 GLU CB C 27.19 0.15 1
900 99 99 GLU CG C 39.79 0.15 1
901 100 100 LYS H H 7.99 0.05 1
902 100 100 LYS HA H 3.85 0.05 1
903 100 100 LYS C C 175.09 0.15 1
904 100 100 LYS CA C 59.56 0.15 1
905 100 100 LYS CB C 33.07 0.15 1
906 100 100 LYS N N 118.61 0.15 1
907 101 101 ASN H H 8.08 0.05 1
908 101 101 ASN HA H 4.65 0.05 1
909 101 101 ASN C C 175.67 0.15 1
910 101 101 ASN CA C 57.44 0.15 1
911 101 101 ASN CB C 41.31 0.15 1
912 101 101 ASN N N 119.79 0.15 1
913 105 105 SER HA H 4.18 0.05 1
914 105 105 SER HB2 H 3.85 0.05 1
915 105 105 SER HG H 5.65 0.05 1
916 105 105 SER C C 172.85 0.15 1
917 105 105 SER CA C 58.43 0.15 1
918 105 105 SER CB C 65.55 0.15 1
919 106 106 ALA H H 8.81 0.05 1
920 106 106 ALA HA H 4.17 0.05 1
921 106 106 ALA HB H 1.33 0.05 1
922 106 106 ALA C C 176.59 0.15 1
923 106 106 ALA CA C 56.32 0.15 1
924 106 106 ALA CB C 22.51 0.15 1
925 106 106 ALA N N 125.36 0.15 1
926 107 107 SER H H 8.26 0.05 1
927 107 107 SER HA H 4.12 0.05 1
928 107 107 SER HB2 H 3.82 0.05 1
929 107 107 SER HB3 H 3.82 0.05 1
930 107 107 SER C C 173.87 0.15 1
931 107 107 SER CA C 61.95 0.15 1
932 107 107 SER CB C 63.23 0.15 1
933 107 107 SER N N 111.89 0.15 1
934 108 108 GLU H H 7.62 0.05 1
935 108 108 GLU HA H 4.07 0.05 1
936 108 108 GLU HB2 H 2.25 0.05 1
937 108 108 GLU HB3 H 2.22 0.05 1
938 108 108 GLU C C 175.59 0.15 1
939 108 108 GLU CA C 58.94 0.15 1
940 108 108 GLU CB C 30.41 0.15 1
941 108 108 GLU CG C 36.69 0.15 1
942 108 108 GLU N N 122.69 0.15 1
943 109 109 LEU H H 7.78 0.05 1
944 109 109 LEU HA H 3.95 0.05 1
945 109 109 LEU HB2 H 1.90 0.05 1
946 109 109 LEU HD1 H 0.75 0.05 2
947 109 109 LEU HD2 H 0.75 0.05 2
948 109 109 LEU C C 177.07 0.15 1
949 109 109 LEU CA C 62.84 0.15 1
950 109 109 LEU CB C 39.60 0.15 1
951 109 109 LEU CD1 C 23.85 0.15 1
952 109 109 LEU CG C 26.82 0.15 1
953 109 109 LEU N N 115.15 0.15 1
954 110 110 LYS H H 7.75 0.05 1
955 110 110 LYS HA H 4.47 0.05 1
956 110 110 LYS HB2 H 1.92 0.05 1
957 110 110 LYS C C 176.07 0.15 1
958 110 110 LYS CA C 59.70 0.15 1
959 110 110 LYS CB C 33.23 0.15 1
960 110 110 LYS CG C 26.17 0.15 1
961 110 110 LYS N N 118.50 0.15 1
962 111 111 HIS H H 7.76 0.05 1
963 111 111 HIS HA H 3.85 0.05 1
964 111 111 HIS C C 175.32 0.15 1
965 111 111 HIS CA C 59.32 0.15 1
966 111 111 HIS CB C 30.62 0.15 1
967 111 111 HIS N N 119.28 0.15 1
968 112 112 VAL H H 8.02 0.05 1
969 112 112 VAL C C 176.40 0.15 1
970 112 112 VAL CA C 67.21 0.15 1
971 112 112 VAL CB C 32.52 0.15 1
972 112 112 VAL N N 121.09 0.15 1
973 113 113 LEU HA H 4.61 0.05 1
974 113 113 LEU HB2 H 2.64 0.05 1
975 113 113 LEU C C 174.53 0.15 1
976 113 113 LEU CA C 55.02 0.15 1
977 113 113 LEU CB C 41.86 0.15 1
978 113 113 LEU CG C 25.52 0.15 1
979 114 114 THR H H 8.28 0.05 1
980 114 114 THR HA H 4.47 0.05 1
981 114 114 THR HB H 3.85 0.05 1
982 114 114 THR C C 172.25 0.15 1
983 114 114 THR CA C 59.07 0.15 1
984 114 114 THR CB C 64.70 0.15 1
985 114 114 THR N N 116.96 0.15 1
986 115 115 THR H H 8.25 0.05 1
987 115 115 THR C C 172.02 0.15 1
988 115 115 THR CA C 63.26 0.15 1
989 115 115 THR CB C 70.40 0.15 1
990 115 115 THR CG2 C 22.14 0.15 1
991 115 115 THR N N 115.99 0.15 1
992 116 116 LEU H H 7.57 0.05 1
993 116 116 LEU HA H 4.82 0.05 1
994 116 116 LEU HB2 H 1.66 0.05 1
995 116 116 LEU HB3 H 0.83 0.05 1
996 116 116 LEU HD1 H 0.39 0.05 1
997 116 116 LEU HD2 H -0.60 0.05 1
998 116 116 LEU C C 174.33 0.15 1
999 116 116 LEU CA C 56.06 0.15 1
1000 116 116 LEU CB C 42.62 0.15 1
1001 116 116 LEU CG C 27.16 0.15 1
1002 116 116 LEU N N 120.79 0.15 1
1003 117 117 GLY H H 7.97 0.05 1
1004 117 117 GLY HA2 H 3.97 0.05 1
1005 117 117 GLY HA3 H 3.88 0.05 1
1006 117 117 GLY C C 171.87 0.15 1
1007 117 117 GLY CA C 46.79 0.15 1
1008 117 117 GLY N N 107.60 0.15 1
1009 118 118 GLU H H 8.01 0.05 1
1010 118 118 GLU HA H 3.84 0.05 1
1011 118 118 GLU C C 173.33 0.15 1
1012 118 118 GLU CA C 56.94 0.15 1
1013 118 118 GLU CB C 30.64 0.15 1
1014 118 118 GLU N N 120.51 0.15 1
1015 119 119 LYS H H 8.04 0.05 1
1016 119 119 LYS HA H 4.21 0.05 1
1017 119 119 LYS HB2 H 1.66 0.05 2
1018 119 119 LYS HB3 H 1.66 0.05 2
1019 119 119 LYS HG2 H 1.28 0.05 2
1020 119 119 LYS HG3 H 1.28 0.05 2
1021 119 119 LYS C C 172.97 0.15 1
1022 119 119 LYS CA C 56.46 0.15 1
1023 119 119 LYS CB C 32.90 0.15 1
1024 119 119 LYS CG C 25.44 0.15 1
1025 119 119 LYS N N 119.57 0.15 1
1026 120 120 LEU H H 7.79 0.05 1
1027 120 120 LEU HA H 4.72 0.05 1
1028 120 120 LEU HB2 H 1.53 0.05 1
1029 120 120 LEU HB3 H 1.50 0.05 1
1030 120 120 LEU HD1 H 0.78 0.05 1
1031 120 120 LEU HD2 H 0.75 0.05 1
1032 120 120 LEU C C 174.69 0.15 1
1033 120 120 LEU CA C 54.94 0.15 1
1034 120 120 LEU CB C 45.37 0.15 1
1035 120 120 LEU CD1 C 25.06 0.15 1
1036 120 120 LEU CG C 28.12 0.15 1
1037 120 120 LEU N N 122.71 0.15 1
1038 121 121 THR H H 9.02 0.05 1
1039 121 121 THR HA H 4.62 0.05 1
1040 121 121 THR HB H 4.34 0.05 1
1041 121 121 THR HG2 H 1.28 0.05 1
1042 121 121 THR C C 171.85 0.15 1
1043 121 121 THR CA C 61.58 0.15 1
1044 121 121 THR CB C 71.94 0.15 1
1045 121 121 THR CG2 C 22.55 0.15 1
1046 121 121 THR N N 113.69 0.15 1
1047 122 122 GLU H H 8.83 0.05 1
1048 122 122 GLU HA H 3.77 0.05 1
1049 122 122 GLU HB2 H 2.26 0.05 1
1050 122 122 GLU HB3 H 2.26 0.05 1
1051 122 122 GLU C C 175.59 0.15 1
1052 122 122 GLU CA C 61.10 0.15 1
1053 122 122 GLU CB C 30.03 0.15 1
1054 122 122 GLU CG C 37.29 0.15 1
1055 122 122 GLU N N 120.56 0.15 1
1056 123 123 GLN H H 8.22 0.05 1
1057 123 123 GLN HA H 3.96 0.05 1
1058 123 123 GLN HB2 H 2.35 0.05 1
1059 123 123 GLN HB3 H 2.32 0.05 1
1060 123 123 GLN C C 174.98 0.15 1
1061 123 123 GLN CA C 59.50 0.15 1
1062 123 123 GLN CB C 29.17 0.15 1
1063 123 123 GLN CG C 34.63 0.15 1
1064 123 123 GLN N N 117.61 0.15 1
1065 124 124 GLU H H 7.62 0.05 1
1066 124 124 GLU HA H 4.01 0.05 1
1067 124 124 GLU HB2 H 2.28 0.05 1
1068 124 124 GLU HB3 H 2.25 0.05 1
1069 124 124 GLU C C 177.27 0.15 1
1070 124 124 GLU CA C 59.82 0.15 1
1071 124 124 GLU CB C 31.20 0.15 1
1072 124 124 GLU CG C 38.43 0.15 1
1073 124 124 GLU N N 118.94 0.15 1
1074 125 125 VAL H H 8.14 0.05 1
1075 125 125 VAL HA H 3.46 0.05 1
1076 125 125 VAL HG1 H 0.85 0.05 1
1077 125 125 VAL C C 174.21 0.15 1
1078 125 125 VAL CA C 68.21 0.15 1
1079 125 125 VAL CB C 32.04 0.15 1
1080 125 125 VAL CG1 C 25.12 0.15 1
1081 125 125 VAL CG2 C 22.61 0.15 1
1082 125 125 VAL N N 120.31 0.15 1
1083 126 126 ASP H H 8.13 0.05 1
1084 126 126 ASP HA H 4.34 0.05 1
1085 126 126 ASP HB2 H 2.65 0.05 1
1086 126 126 ASP HB3 H 2.65 0.05 1
1087 126 126 ASP C C 176.52 0.15 1
1088 126 126 ASP CA C 58.69 0.15 1
1089 126 126 ASP CB C 41.20 0.15 1
1090 126 126 ASP N N 120.34 0.15 1
1091 127 127 ASP H H 7.88 0.05 1
1092 127 127 ASP HA H 4.12 0.05 1
1093 127 127 ASP HB2 H 1.93 0.05 1
1094 127 127 ASP HB3 H 0.78 0.05 1
1095 127 127 ASP C C 176.18 0.15 1
1096 127 127 ASP CA C 58.88 0.15 1
1097 127 127 ASP CB C 43.05 0.15 1
1098 127 127 ASP N N 122.89 0.15 1
1099 128 128 LEU H H 8.34 0.05 1
1100 128 128 LEU C C 176.84 0.15 1
1101 128 128 LEU CA C 58.57 0.15 1
1102 128 128 LEU CB C 41.58 0.15 1
1103 128 128 LEU N N 117.88 0.15 1
1104 129 129 LEU H H 7.76 0.05 1
1105 129 129 LEU HA H 3.85 0.05 1
1106 129 129 LEU HB2 H 2.59 0.05 1
1107 129 129 LEU HG H 1.98 0.05 1
1108 129 129 LEU C C 173.58 0.15 1
1109 129 129 LEU CA C 56.19 0.15 1
1110 129 129 LEU CB C 40.86 0.15 1
1111 129 129 LEU CG C 25.68 0.15 1
1112 129 129 LEU N N 115.39 0.15 1
1113 130 130 LYS H H 7.94 0.05 1
1114 130 130 LYS C C 172.86 0.15 1
1115 130 130 LYS CA C 61.77 0.15 1
1116 130 130 LYS CB C 32.52 0.15 1
1117 130 130 LYS CE C 40.73 0.15 1
1118 130 130 LYS N N 121.46 0.15 1
1119 131 131 GLU H H 9.01 0.05 1
1120 131 131 GLU C C 173.23 0.15 1
1121 131 131 GLU CA C 62.22 0.15 1
1122 131 131 GLU CB C 32.52 0.15 1
1123 131 131 GLU CG C 37.28 0.15 1
1124 131 131 GLU N N 125.87 0.15 1
1125 132 132 ILE H H 8.58 0.05 1
1126 132 132 ILE HA H 4.17 0.05 1
1127 132 132 ILE HB H 1.94 0.05 1
1128 132 132 ILE HD1 H 0.88 0.05 1
1129 132 132 ILE HG12 H 1.61 0.05 1
1130 132 132 ILE HG13 H 1.32 0.05 1
1131 132 132 ILE HG2 H 0.92 0.05 1
1132 132 132 ILE C C 173.11 0.15 1
1133 132 132 ILE CA C 63.23 0.15 1
1134 132 132 ILE CB C 40.21 0.15 1
1135 132 132 ILE CD1 C 15.18 0.15 1
1136 132 132 ILE CG1 C 28.61 0.15 1
1137 132 132 ILE CG2 C 18.79 0.15 1
1138 132 132 ILE N N 118.45 0.15 1
1139 133 133 GLY H H 7.87 0.05 1
1140 133 133 GLY HA2 H 4.09 0.05 1
1141 133 133 GLY HA3 H 3.82 0.05 1
1142 133 133 GLY C C 171.05 0.15 1
1143 133 133 GLY CA C 46.64 0.15 1
1144 133 133 GLY N N 109.87 0.15 1
1145 134 134 VAL H H 7.89 0.05 1
1146 134 134 VAL HA H 4.09 0.05 1
1147 134 134 VAL HB H 2.64 0.05 1
1148 134 134 VAL C C 174.08 0.15 1
1149 134 134 VAL CA C 62.70 0.15 1
1150 134 134 VAL CB C 32.68 0.15 1
1151 134 134 VAL CG1 C 26.26 0.15 1
1152 134 134 VAL CG2 C 26.26 0.15 1
1153 134 134 VAL N N 120.16 0.15 1
1154 135 135 GLU H H 7.48 0.05 1
1155 135 135 GLU C C 175.26 0.15 1
1156 135 135 GLU CA C 57.44 0.15 1
1157 135 135 GLU CB C 30.52 0.15 1
1158 135 135 GLU N N 118.41 0.15 1
1159 136 136 GLU H H 7.92 0.05 1
1160 136 136 GLU HA H 4.12 0.05 1
1161 136 136 GLU HB2 H 2.16 0.05 2
1162 136 136 GLU HB3 H 2.16 0.05 2
1163 136 136 GLU C C 171.14 0.15 1
1164 136 136 GLU CA C 57.24 0.15 1
1165 136 136 GLU CB C 30.02 0.15 1
1166 136 136 GLU CG C 36.98 0.15 1
1167 136 136 GLU N N 121.56 0.15 1
1168 137 137 GLY H H 8.17 0.05 1
1169 137 137 GLY HA2 H 3.99 0.05 1
1170 137 137 GLY HA3 H 3.69 0.05 1
1171 137 137 GLY C C 173.67 0.15 1
1172 137 137 GLY CA C 46.17 0.15 1
1173 137 137 GLY N N 106.30 0.15 1
1174 138 138 LEU H H 7.83 0.05 1
1175 138 138 LEU C C 170.60 0.15 1
1176 138 138 LEU CA C 54.94 0.15 1
1177 138 138 LEU CB C 41.73 0.15 1
1178 138 138 LEU N N 120.51 0.15 1
1179 139 139 ILE H H 7.92 0.05 1
1180 139 139 ILE HA H 4.07 0.05 1
1181 139 139 ILE HB H 1.82 0.05 1
1182 139 139 ILE HD1 H 0.80 0.05 1
1183 139 139 ILE HG12 H 1.39 0.05 1
1184 139 139 ILE HG13 H 1.16 0.05 1
1185 139 139 ILE HG2 H 0.84 0.05 1
1186 139 139 ILE C C 180.56 0.15 1
1187 139 139 ILE CA C 62.07 0.15 1
1188 139 139 ILE CB C 39.38 0.15 1
1189 139 139 ILE CD1 C 13.91 0.15 1
1190 139 139 ILE CG1 C 21.78 0.15 1
1191 139 139 ILE CG2 C 18.23 0.15 1
1192 139 139 ILE N N 120.94 0.15 1
1193 140 140 ASN H H 8.26 0.05 1
1194 140 140 ASN C C 172.58 0.15 1
1195 140 140 ASN CA C 56.94 0.15 1
1196 140 140 ASN CB C 39.28 0.15 1
1197 140 140 ASN N N 125.93 0.15 1
1198 142 142 ASP HA H 4.30 0.05 1
1199 142 142 ASP HB2 H 2.64 0.05 1
1200 142 142 ASP C C 176.46 0.15 1
1201 142 142 ASP CA C 58.63 0.15 1
1202 142 142 ASP CB C 41.01 0.15 1
1203 143 143 ASP H H 8.23 0.05 1
1204 143 143 ASP HA H 3.85 0.05 1
1205 143 143 ASP HB2 H 2.51 0.05 1
1206 143 143 ASP C C 176.30 0.15 1
1207 143 143 ASP CA C 58.27 0.15 1
1208 143 143 ASP CB C 41.13 0.15 1
1209 143 143 ASP N N 119.50 0.15 1
1210 144 144 PHE H H 8.08 0.05 1
1211 144 144 PHE HA H 4.23 0.05 1
1212 144 144 PHE HB2 H 2.65 0.05 1
1213 144 144 PHE HB3 H 2.21 0.05 1
1214 144 144 PHE C C 175.59 0.15 1
1215 144 144 PHE CA C 57.38 0.15 1
1216 144 144 PHE CB C 36.87 0.15 1
1217 144 144 PHE N N 119.84 0.15 1
1218 145 145 VAL H H 8.06 0.05 1
1219 145 145 VAL HA H 4.16 0.05 1
1220 145 145 VAL HB H 1.96 0.05 1
1221 145 145 VAL HG1 H 0.84 0.05 1
1222 145 145 VAL HG2 H 0.80 0.05 1
1223 145 145 VAL C C 173.02 0.15 1
1224 145 145 VAL CA C 63.08 0.15 1
1225 145 145 VAL CB C 33.80 0.15 1
1226 145 145 VAL CG1 C 21.99 0.15 1
1227 145 145 VAL CG2 C 21.70 0.15 1
1228 145 145 VAL N N 120.73 0.15 1
1229 146 146 LYS H H 8.58 0.05 1
1230 146 146 LYS HA H 4.22 0.05 1
1231 146 146 LYS C C 174.59 0.15 1
1232 146 146 LYS CA C 57.19 0.15 1
1233 146 146 LYS CB C 31.50 0.15 1
1234 146 146 LYS N N 125.08 0.15 1
1235 147 147 LEU H H 8.25 0.05 1
1236 147 147 LEU C C 172.66 0.15 1
1237 147 147 LEU CA C 55.27 0.15 1
1238 147 147 LEU CB C 41.87 0.15 1
1239 147 147 LEU N N 121.90 0.15 1
1240 148 148 ILE HA H 4.48 0.05 1
1241 148 148 ILE HB H 2.21 0.05 1
1242 148 148 ILE C C 173.16 0.15 1
1243 148 148 ILE CA C 62.42 0.15 1
1244 148 148 ILE CB C 37.06 0.15 1
1245 148 148 ILE CG1 C 30.94 0.15 1
1246 149 149 THR H H 7.99 0.05 1
1247 149 149 THR HA H 4.29 0.05 1
1248 149 149 THR HG2 H 1.17 0.05 1
1249 149 149 THR C C 174.52 0.15 1
1250 149 149 THR CA C 63.17 0.15 1
1251 149 149 THR CB C 71.90 0.15 1
1252 149 149 THR CG2 C 22.53 0.15 1
1253 149 149 THR N N 120.53 0.15 1
1254 150 150 SER H H 7.56 0.05 1
1255 150 150 SER HA H 4.39 0.05 1
1256 150 150 SER HB2 H 3.92 0.05 1
1257 150 150 SER HB3 H 3.88 0.05 1
1258 150 150 SER C C 170.61 0.15 1
1259 150 150 SER CA C 59.95 0.15 1
1260 150 150 SER CB C 64.73 0.15 1
1261 150 150 SER N N 117.37 0.15 1
1262 151 151 LYS H H 7.50 0.05 1
1263 151 151 LYS HA H 4.13 0.05 1
1264 151 151 LYS HB2 H 1.73 0.05 1
1265 151 151 LYS HB3 H 1.70 0.05 1
1266 151 151 LYS HG2 H 1.37 0.05 1
1267 151 151 LYS C C 178.48 0.15 1
1268 151 151 LYS CA C 58.33 0.15 1
1269 151 151 LYS CB C 34.20 0.15 1
1270 151 151 LYS N N 127.60 0.15 1
stop_
save_