data_26909
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
N-terminal domain of the E. coli DNA polymerase III delta subunit
;
_BMRB_accession_number 26909
_BMRB_flat_file_name bmr26909.str
_Entry_type original
_Submission_date 2016-09-26
_Accession_date 2016-09-26
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'Residues 1-140'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Alyami Esmael M. .
2 Rizzo Alessandro A. .
3 Korzhnev Dmitry M. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 761
"13C chemical shifts" 587
"15N chemical shifts" 148
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2018-04-13 update BMRB 'update entry citation'
2017-05-24 original author 'original release'
stop_
_Original_release_date 2016-09-26
save_
#############################
# Citation for this entry #
#############################
save_citations_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
NMR resonance assignments for the N-terminal domain of the delta subunit of the E. coli gamma clamp loader complex
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 28265855
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Alyami Esmael M. .
2 Rizzo Alessandro A. .
3 Beuning Penny J. .
4 Korzhnev Dmitry M. .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_volume 11
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 169
_Page_last 173
_Year 2017
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'E coli DNA polymerase III delta subunit (residues 1-140)'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'E coli DNA polymerase III delta subunit (residues 1-140)' $E_coli_DNA_polymerase_III_delta_subunit_(residues_1-140)
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_E_coli_DNA_polymerase_III_delta_subunit_(residues_1-140)
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common E_coli_DNA_polymerase_III_delta_subunit_(residues_1-140)
_Molecular_mass .
_Mol_thiol_state 'all free'
loop_
_Biological_function
'contributes to opening the beta-clamp for loading on DNA'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 143
_Mol_residue_sequence
;
GSHMIRLYPEQLRAQLNEGL
RAAYLLLGNDPLLLQESQDA
VRQVAAAQGFEEHHTFSIDP
NTDWNAIFSLCQAMSLFASR
QTLLLLLPENGPNAAINEQL
LTLTGLLHDDLLLIVRGNKL
SKAQENAAWFTALANRSVQV
TCQ
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 ILE
6 3 ARG 7 4 LEU 8 5 TYR 9 6 PRO 10 7 GLU
11 8 GLN 12 9 LEU 13 10 ARG 14 11 ALA 15 12 GLN
16 13 LEU 17 14 ASN 18 15 GLU 19 16 GLY 20 17 LEU
21 18 ARG 22 19 ALA 23 20 ALA 24 21 TYR 25 22 LEU
26 23 LEU 27 24 LEU 28 25 GLY 29 26 ASN 30 27 ASP
31 28 PRO 32 29 LEU 33 30 LEU 34 31 LEU 35 32 GLN
36 33 GLU 37 34 SER 38 35 GLN 39 36 ASP 40 37 ALA
41 38 VAL 42 39 ARG 43 40 GLN 44 41 VAL 45 42 ALA
46 43 ALA 47 44 ALA 48 45 GLN 49 46 GLY 50 47 PHE
51 48 GLU 52 49 GLU 53 50 HIS 54 51 HIS 55 52 THR
56 53 PHE 57 54 SER 58 55 ILE 59 56 ASP 60 57 PRO
61 58 ASN 62 59 THR 63 60 ASP 64 61 TRP 65 62 ASN
66 63 ALA 67 64 ILE 68 65 PHE 69 66 SER 70 67 LEU
71 68 CYS 72 69 GLN 73 70 ALA 74 71 MET 75 72 SER
76 73 LEU 77 74 PHE 78 75 ALA 79 76 SER 80 77 ARG
81 78 GLN 82 79 THR 83 80 LEU 84 81 LEU 85 82 LEU
86 83 LEU 87 84 LEU 88 85 PRO 89 86 GLU 90 87 ASN
91 88 GLY 92 89 PRO 93 90 ASN 94 91 ALA 95 92 ALA
96 93 ILE 97 94 ASN 98 95 GLU 99 96 GLN 100 97 LEU
101 98 LEU 102 99 THR 103 100 LEU 104 101 THR 105 102 GLY
106 103 LEU 107 104 LEU 108 105 HIS 109 106 ASP 110 107 ASP
111 108 LEU 112 109 LEU 113 110 LEU 114 111 ILE 115 112 VAL
116 113 ARG 117 114 GLY 118 115 ASN 119 116 LYS 120 117 LEU
121 118 SER 122 119 LYS 123 120 ALA 124 121 GLN 125 122 GLU
126 123 ASN 127 124 ALA 128 125 ALA 129 126 TRP 130 127 PHE
131 128 THR 132 129 ALA 133 130 LEU 134 131 ALA 135 132 ASN
136 133 ARG 137 134 SER 138 135 VAL 139 136 GLN 140 137 VAL
141 138 THR 142 139 CYS 143 140 GLN
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$E_coli_DNA_polymerase_III_delta_subunit_(residues_1-140) enterobacteria 562 Bacteria . Escherichia coli holA
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
_Details
$E_coli_DNA_polymerase_III_delta_subunit_(residues_1-140) 'recombinant technology' . Escherichia coli BL21 DE3 pET28b+ 'his-tag was cleaved off with bovine thrombin'
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
$E_coli_DNA_polymerase_III_delta_subunit_(residues_1-140) 1.5 mM '[U-13C; U-15N]'
D2O 7.5 % 'natural abundance'
'sodium phosphate' 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
DTT 10 mM 'natural abundance'
EDTA 1 mM 'natural abundance'
'sodium azide' 0.05 '% v/v' 'natural abundance'
'Halt protease inhibitor cocktail' 0.33 '% v/v' 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_Analysis
_Saveframe_category software
_Name Analysis
_Version .
loop_
_Vendor
_Address
_Electronic_address
CCPN . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_VNMRJ
_Saveframe_category software
_Name VNMRJ
_Version .
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details Talos-N
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Agilent
_Model VNMRS
_Field_strength 800
_Details 'premium compact'
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_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HN(Ca)CO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(Ca)CO'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_CCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CCH-TOCSY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details
;
buffer:
20 mM sodium phosphate
100 mM NaCl
10 mM DTT
1 mM EDTA
0.05 % (w/v) sodium azide
0.33 % (v/v) Halt protease inhibitor cocktail
-diluted to 7.5% D2O
;
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 100 . mM
pH 6.8 . pH
pressure 1 . atm
temperature 273 . 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
$Analysis
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D HNCO'
'3D HNCA'
'3D HNCACB'
'3D HN(Ca)CO'
'3D HBHA(CO)NH'
'3D HCCH-TOCSY'
'3D CCH-TOCSY'
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 'E coli DNA polymerase III delta subunit (residues 1-140)'
_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 2 SER HA H 4.477 0.003 1
2 -1 2 SER HB2 H 3.765 0.001 1
3 -1 2 SER HB3 H 3.765 0.001 1
4 -1 2 SER C C 173.726 0.2 1
5 -1 2 SER CA C 58.16 0.047 1
6 -1 2 SER CB C 64.056 0.046 1
7 0 3 HIS H H 8.357 0.004 1
8 0 3 HIS HA H 4.725 0.003 1
9 0 3 HIS HB2 H 3.203 0.003 2
10 0 3 HIS HB3 H 2.996 0.005 2
11 0 3 HIS C C 174.33 0.2 1
12 0 3 HIS CA C 55.353 0.044 1
13 0 3 HIS CB C 31.166 0.043 1
14 0 3 HIS N N 120.402 0.041 1
15 1 4 MET H H 8.383 0.001 1
16 1 4 MET HA H 4.362 0.002 1
17 1 4 MET HB2 H 1.77 0.006 1
18 1 4 MET HB3 H 1.77 0.006 1
19 1 4 MET HG2 H 2.221 0.002 2
20 1 4 MET HG3 H 2.308 0.003 2
21 1 4 MET C C 176.058 0.2 1
22 1 4 MET CA C 56.266 0.026 1
23 1 4 MET CB C 34.038 0.027 1
24 1 4 MET CG C 31.086 0.059 1
25 1 4 MET N N 123.042 0.008 1
26 2 5 ILE H H 7.898 0.001 1
27 2 5 ILE HA H 4.062 0.003 1
28 2 5 ILE HB H 1.806 0.005 1
29 2 5 ILE HG12 H 1.161 0.005 2
30 2 5 ILE HG13 H 1.618 0.005 2
31 2 5 ILE HG2 H 0.878 0.005 1
32 2 5 ILE HD1 H 0.835 0.005 1
33 2 5 ILE C C 173.99 0.2 1
34 2 5 ILE CA C 62.073 0.057 1
35 2 5 ILE CB C 38.949 0.038 1
36 2 5 ILE CG1 C 27.817 0.07 1
37 2 5 ILE CG2 C 17.541 0.057 1
38 2 5 ILE CD1 C 13.119 0.044 1
39 2 5 ILE N N 126.778 0.022 1
40 3 6 ARG H H 8.387 0.007 1
41 3 6 ARG HA H 5.271 0.003 1
42 3 6 ARG HB2 H 1.421 0.007 2
43 3 6 ARG HB3 H 1.369 0.006 2
44 3 6 ARG HG2 H 1.291 0.003 2
45 3 6 ARG HG3 H 1.402 0.007 2
46 3 6 ARG HD2 H 2.939 0.005 1
47 3 6 ARG HD3 H 2.939 0.005 1
48 3 6 ARG C C 174.601 0.2 1
49 3 6 ARG CA C 54.376 0.05 1
50 3 6 ARG CB C 31.759 0.023 1
51 3 6 ARG CG C 26.904 0.028 1
52 3 6 ARG CD C 43.536 0.012 1
53 3 6 ARG N N 127.314 0.051 1
54 6 9 PRO HB2 H 2.079 0.004 2
55 6 9 PRO HB3 H 2.4 0.001 2
56 6 9 PRO HG2 H 2.308 0.004 2
57 6 9 PRO HG3 H 2.044 0.005 2
58 6 9 PRO HD2 H 4.644 0.007 2
59 6 9 PRO HD3 H 4.083 0.003 2
60 6 9 PRO CB C 31.751 0.022 1
61 6 9 PRO CG C 29.294 0.064 1
62 6 9 PRO CD C 50.447 0.051 1
63 7 10 GLU HA H 4.328 0.004 1
64 7 10 GLU HB2 H 2.154 0.005 2
65 7 10 GLU HB3 H 2.156 0.004 2
66 7 10 GLU HG2 H 2.262 0.014 2
67 7 10 GLU HG3 H 2.464 0.001 2
68 7 10 GLU C C 177.242 0.2 1
69 7 10 GLU CA C 59.009 0.068 1
70 7 10 GLU CB C 27.874 0.086 1
71 7 10 GLU CG C 35.928 0.05 1
72 8 11 GLN H H 8.187 0.002 1
73 8 11 GLN HA H 4.638 0.006 1
74 8 11 GLN HB2 H 2.534 0.003 2
75 8 11 GLN HB3 H 2.433 0.005 2
76 8 11 GLN HG2 H 2.391 0.01 2
77 8 11 GLN HG3 H 2.579 0.003 2
78 8 11 GLN HE21 H 6.97 0.002 1
79 8 11 GLN HE22 H 7.775 0.001 1
80 8 11 GLN C C 176.928 0.2 1
81 8 11 GLN CA C 56.128 0.065 1
82 8 11 GLN CB C 30.999 0.068 1
83 8 11 GLN CG C 35.085 0.057 1
84 8 11 GLN CD C 179.86 0.012 1
85 8 11 GLN N N 118.369 0.018 1
86 8 11 GLN NE2 N 111.818 0.001 1
87 9 12 LEU H H 7.594 0.003 1
88 9 12 LEU HA H 4.093 0.005 1
89 9 12 LEU HB2 H 2.142 0.007 2
90 9 12 LEU HB3 H 1.335 0.008 2
91 9 12 LEU HG H 1.487 0.002 1
92 9 12 LEU HD1 H 0.987 0.001 2
93 9 12 LEU HD2 H 1.047 0.001 2
94 9 12 LEU C C 177.428 0.2 1
95 9 12 LEU CA C 58.428 0.031 1
96 9 12 LEU CB C 42.583 0.051 1
97 9 12 LEU CG C 26.98 0.5 1
98 9 12 LEU CD1 C 22.464 0.052 2
99 9 12 LEU CD2 C 26.968 0.039 2
100 9 12 LEU N N 121.133 0.033 1
101 10 13 ARG H H 8.954 0.003 1
102 10 13 ARG HA H 3.781 0.006 1
103 10 13 ARG HB2 H 1.791 0.002 2
104 10 13 ARG HB3 H 1.688 0.001 2
105 10 13 ARG HG2 H 1.559 0.002 1
106 10 13 ARG HG3 H 1.559 0.002 1
107 10 13 ARG HD2 H 3.157 0.004 1
108 10 13 ARG HD3 H 3.157 0.004 1
109 10 13 ARG C C 178.034 0.2 1
110 10 13 ARG CA C 60.468 0.079 1
111 10 13 ARG CB C 28.598 0.045 1
112 10 13 ARG CD C 42.873 0.053 1
113 10 13 ARG N N 118.774 0.038 1
114 11 14 ALA H H 8.156 0.001 1
115 11 14 ALA HA H 4.113 0.005 1
116 11 14 ALA HB H 1.448 0.004 1
117 11 14 ALA C C 180.337 0.2 1
118 11 14 ALA CA C 54.806 0.045 1
119 11 14 ALA CB C 18.019 0.016 1
120 11 14 ALA N N 120.045 0.009 1
121 12 15 GLN H H 7.36 0.001 1
122 12 15 GLN HA H 4.044 0.004 1
123 12 15 GLN HB2 H 1.946 0.014 2
124 12 15 GLN HB3 H 2.608 0.008 2
125 12 15 GLN HG2 H 2.535 0.005 2
126 12 15 GLN HG3 H 2.296 0.004 2
127 12 15 GLN C C 178.631 0.2 1
128 12 15 GLN CA C 59.908 0.042 1
129 12 15 GLN CB C 28.038 0.043 1
130 12 15 GLN CG C 35.151 0.029 1
131 12 15 GLN N N 120.182 0.017 1
132 13 16 LEU H H 8.493 0.001 1
133 13 16 LEU HA H 3.845 0.001 1
134 13 16 LEU HB2 H 1.905 0.003 2
135 13 16 LEU HB3 H 1.286 0.007 2
136 13 16 LEU HG H 1.832 0.009 1
137 13 16 LEU HD1 H 0.582 0.007 2
138 13 16 LEU HD2 H 0.702 0.002 2
139 13 16 LEU C C 179.058 0.2 1
140 13 16 LEU CA C 57.651 0.049 1
141 13 16 LEU CB C 41.999 0.038 1
142 13 16 LEU CG C 26.284 0.09 1
143 13 16 LEU CD1 C 26.39 0.032 2
144 13 16 LEU CD2 C 23.385 0.029 2
145 13 16 LEU N N 118.345 0.074 1
146 14 17 ASN H H 7.637 0.002 1
147 14 17 ASN HA H 4.395 0.002 1
148 14 17 ASN HB2 H 2.829 0.003 2
149 14 17 ASN HB3 H 2.779 0.002 2
150 14 17 ASN HD21 H 7.608 0.002 1
151 14 17 ASN HD22 H 6.844 0.004 1
152 14 17 ASN C C 176.811 0.2 1
153 14 17 ASN CA C 54.86 0.067 1
154 14 17 ASN CB C 38.761 0.018 1
155 14 17 ASN CG C 176.452 0.009 1
156 14 17 ASN N N 114.212 0.008 1
157 14 17 ASN ND2 N 112.452 0.006 1
158 15 18 GLU H H 7.824 0.001 1
159 15 18 GLU HA H 4.226 0.003 1
160 15 18 GLU HB2 H 2.34 0.004 2
161 15 18 GLU HB3 H 2.231 0.004 2
162 15 18 GLU HG2 H 2.302 0.005 2
163 15 18 GLU HG3 H 2.535 0.003 2
164 15 18 GLU C C 177.388 0.2 1
165 15 18 GLU CA C 57.879 0.04 1
166 15 18 GLU CB C 29.756 0.048 1
167 15 18 GLU CG C 36.443 0.044 1
168 15 18 GLU N N 119.971 0.012 1
169 16 19 GLY H H 7.346 0.001 1
170 16 19 GLY HA2 H 4.319 0.003 2
171 16 19 GLY HA3 H 3.75 0.002 2
172 16 19 GLY C C 172.699 0.2 1
173 16 19 GLY CA C 44.924 0.033 1
174 16 19 GLY N N 108.017 0.013 1
175 17 20 LEU H H 8.735 0.001 1
176 17 20 LEU HA H 4.66 0.011 1
177 17 20 LEU HB2 H 1.686 0.002 2
178 17 20 LEU HB3 H 1.751 0.008 2
179 17 20 LEU HG H 1.778 0.003 1
180 17 20 LEU HD1 H 0.757 0.001 2
181 17 20 LEU HD2 H 0.772 0.004 2
182 17 20 LEU C C 178.915 0.2 1
183 17 20 LEU CA C 55.391 0.098 1
184 17 20 LEU CB C 42.891 0.044 1
185 17 20 LEU CG C 26.81 0.028 1
186 17 20 LEU CD1 C 24.264 0.02 2
187 17 20 LEU CD2 C 25.923 0.063 2
188 17 20 LEU N N 124.798 0.008 1
189 18 21 ARG H H 8.179 0.002 1
190 18 21 ARG HA H 4.501 0.004 1
191 18 21 ARG HB2 H 1.923 0.004 2
192 18 21 ARG HB3 H 1.177 0.005 2
193 18 21 ARG HG2 H 1.537 0.004 2
194 18 21 ARG HG3 H 1.537 0.003 2
195 18 21 ARG HD2 H 2.845 0.011 2
196 18 21 ARG HD3 H 2.883 0.009 2
197 18 21 ARG C C 174.201 0.2 1
198 18 21 ARG CA C 54.806 0.057 1
199 18 21 ARG CB C 30.182 0.038 1
200 18 21 ARG CG C 28.064 0.054 1
201 18 21 ARG CD C 43.233 0.026 1
202 18 21 ARG N N 122.811 0.008 1
203 19 22 ALA H H 7.551 0.002 1
204 19 22 ALA HA H 4.231 0.002 1
205 19 22 ALA HB H 1.525 0.003 1
206 19 22 ALA C C 177.69 0.2 1
207 19 22 ALA CA C 54.351 0.044 1
208 19 22 ALA CB C 19.897 0.044 1
209 19 22 ALA N N 119.178 0.028 1
210 20 23 ALA H H 7.15 0.001 1
211 20 23 ALA HA H 5.775 0.003 1
212 20 23 ALA HB H 1.167 0.003 1
213 20 23 ALA C C 174.713 0.2 1
214 20 23 ALA CA C 50.222 0.05 1
215 20 23 ALA CB C 22.54 0.013 1
216 20 23 ALA N N 113.513 0.005 1
217 21 24 TYR H H 8.881 0.002 1
218 21 24 TYR HA H 4.879 0.005 1
219 21 24 TYR HB2 H 2.724 0.011 2
220 21 24 TYR HB3 H 2.535 0.018 2
221 21 24 TYR C C 173.7 0.2 1
222 21 24 TYR CA C 57.351 0.04 1
223 21 24 TYR CB C 42.188 0.073 1
224 21 24 TYR N N 118.691 0.039 1
225 22 25 LEU H H 9.333 0.002 1
226 22 25 LEU HA H 5.095 0.002 1
227 22 25 LEU HB2 H 1.44 0.009 2
228 22 25 LEU HB3 H 1.816 0.004 2
229 22 25 LEU HG H 1.588 0.006 1
230 22 25 LEU HD1 H 0.74 0.005 2
231 22 25 LEU HD2 H 0.894 0.004 2
232 22 25 LEU C C 173.889 0.2 1
233 22 25 LEU CA C 53.562 0.101 1
234 22 25 LEU CB C 42.008 0.022 1
235 22 25 LEU CG C 28.611 0.043 1
236 22 25 LEU CD1 C 25.363 0.035 2
237 22 25 LEU CD2 C 25.324 0.063 2
238 22 25 LEU N N 124.652 0.011 1
239 23 26 LEU H H 9.711 0.003 1
240 23 26 LEU HA H 4.814 0.005 1
241 23 26 LEU HB2 H 2.211 0.008 2
242 23 26 LEU HB3 H 1.448 0.011 2
243 23 26 LEU HG H 1.706 0.006 1
244 23 26 LEU HD1 H 0.799 0.002 2
245 23 26 LEU HD2 H 0.753 0.014 2
246 23 26 LEU C C 173.07 0.2 1
247 23 26 LEU CA C 53.501 0.07 1
248 23 26 LEU CB C 40.513 0.043 1
249 23 26 LEU CG C 26.91 0.052 1
250 23 26 LEU CD1 C 25.709 0.031 2
251 23 26 LEU CD2 C 24.099 0.021 2
252 23 26 LEU N N 127.663 0.047 1
253 24 27 LEU H H 7.878 0.001 1
254 24 27 LEU HA H 5.752 0.004 1
255 24 27 LEU HB2 H 1.763 0.004 2
256 24 27 LEU HB3 H 1.156 0.009 2
257 24 27 LEU HG H 1.456 0.006 1
258 24 27 LEU HD1 H 1.01 0.004 2
259 24 27 LEU HD2 H 0.776 0.002 2
260 24 27 LEU C C 177.342 0.2 1
261 24 27 LEU CA C 51.861 0.065 1
262 24 27 LEU CB C 44.818 0.052 1
263 24 27 LEU CG C 26.851 0.039 1
264 24 27 LEU CD1 C 26.885 0.025 2
265 24 27 LEU CD2 C 22.051 0.036 2
266 24 27 LEU N N 121.207 0.025 1
267 25 28 GLY H H 9.675 0.004 1
268 25 28 GLY HA2 H 4.264 0.004 2
269 25 28 GLY HA3 H 3.949 0.007 2
270 25 28 GLY C C 171.166 0.2 1
271 25 28 GLY CA C 45.395 0.033 1
272 25 28 GLY N N 113.319 0.029 1
273 26 29 ASN H H 7.918 0.002 1
274 26 29 ASN HA H 4.912 0.003 1
275 26 29 ASN HB2 H 3.136 0.004 2
276 26 29 ASN HB3 H 2.913 0.006 2
277 26 29 ASN HD21 H 7.473 0.001 1
278 26 29 ASN HD22 H 6.737 0.003 1
279 26 29 ASN C C 175.789 0.2 1
280 26 29 ASN CA C 52.221 0.08 1
281 26 29 ASN CB C 38.949 0.037 1
282 26 29 ASN CG C 177.245 0.018 1
283 26 29 ASN N N 113.942 0.009 1
284 26 29 ASN ND2 N 109.542 0.002 1
285 27 30 ASP H H 7.87 0.001 1
286 27 30 ASP HA H 5.178 0.005 1
287 27 30 ASP HB2 H 3.053 0.007 2
288 27 30 ASP HB3 H 2.516 0.008 2
289 27 30 ASP C C 174.446 0.2 1
290 27 30 ASP CA C 51.353 0.028 1
291 27 30 ASP CB C 42.664 0.027 1
292 27 30 ASP N N 121.37 0.01 1
293 28 31 PRO HA H 4.246 0.005 1
294 28 31 PRO HB2 H 2.362 0.004 2
295 28 31 PRO HB3 H 1.983 0.006 2
296 28 31 PRO HG2 H 2.065 0.004 1
297 28 31 PRO HG3 H 2.065 0.004 1
298 28 31 PRO HD2 H 3.954 0.004 2
299 28 31 PRO HD3 H 4.25 0.006 2
300 28 31 PRO C C 179.554 0.2 1
301 28 31 PRO CA C 64.798 0.044 1
302 28 31 PRO CB C 32.326 0.041 1
303 28 31 PRO CG C 27.203 0.062 1
304 28 31 PRO CD C 51.304 0.075 1
305 29 32 LEU H H 7.958 0.002 1
306 29 32 LEU HA H 4.203 0.004 1
307 29 32 LEU HB2 H 1.806 0.004 2
308 29 32 LEU HB3 H 1.649 0.009 2
309 29 32 LEU HG H 1.634 0.013 1
310 29 32 LEU HD1 H 0.856 0.003 2
311 29 32 LEU HD2 H 0.936 0.004 2
312 29 32 LEU C C 179.453 0.2 1
313 29 32 LEU CA C 57.866 0.05 1
314 29 32 LEU CB C 41.061 0.026 1
315 29 32 LEU CG C 27.337 0.031 1
316 29 32 LEU CD1 C 23.689 0.025 2
317 29 32 LEU CD2 C 24.695 0.022 2
318 29 32 LEU N N 119.864 0.031 1
319 30 33 LEU H H 7.432 0.002 1
320 30 33 LEU HA H 4.138 0.003 1
321 30 33 LEU HB2 H 1.253 0.003 2
322 30 33 LEU HB3 H 1.712 0.002 2
323 30 33 LEU HG H 1.666 0.004 1
324 30 33 LEU HD1 H 0.831 0.001 2
325 30 33 LEU HD2 H 0.91 0.001 2
326 30 33 LEU C C 181.121 0.2 1
327 30 33 LEU CA C 57.297 0.052 1
328 30 33 LEU CB C 41.962 0.038 1
329 30 33 LEU CG C 26.761 0.031 1
330 30 33 LEU CD1 C 21.974 0.036 2
331 30 33 LEU CD2 C 25.568 0.049 2
332 30 33 LEU N N 119.247 0.033 1
333 31 34 LEU H H 8.412 0.001 1
334 31 34 LEU HA H 4.113 0.006 1
335 31 34 LEU HB2 H 1.011 0.009 2
336 31 34 LEU HB3 H 1.84 0.002 2
337 31 34 LEU HD1 H 0.895 0.003 2
338 31 34 LEU HD2 H 0.732 0.002 2
339 31 34 LEU C C 178.052 0.2 1
340 31 34 LEU CA C 58.677 0.063 1
341 31 34 LEU CB C 42.912 0.052 1
342 31 34 LEU CD1 C 24.202 0.014 2
343 31 34 LEU CD2 C 25.557 0.025 2
344 31 34 LEU N N 121.855 0.018 1
345 32 35 GLN H H 7.727 0.002 1
346 32 35 GLN HA H 3.562 0.003 1
347 32 35 GLN HB2 H 2.321 0.008 2
348 32 35 GLN HB3 H 2.111 0.006 2
349 32 35 GLN HG2 H 2.298 0.004 2
350 32 35 GLN HG3 H 2.372 0.003 2
351 32 35 GLN HE21 H 8.04 0.003 1
352 32 35 GLN HE22 H 6.34 0.005 1
353 32 35 GLN C C 177.665 0.2 1
354 32 35 GLN CA C 58.646 0.043 1
355 32 35 GLN CB C 28.477 0.053 1
356 32 35 GLN CG C 32.978 0.034 1
357 32 35 GLN CD C 180.381 0.02 1
358 32 35 GLN N N 118.139 0.014 1
359 32 35 GLN NE2 N 116.471 0.04 1
360 33 36 GLU H H 8.486 0.003 1
361 33 36 GLU HA H 4.047 0.006 1
362 33 36 GLU HB2 H 2.115 0.005 2
363 33 36 GLU HB3 H 1.978 0.008 2
364 33 36 GLU HG2 H 2.22 0.004 2
365 33 36 GLU HG3 H 2.446 0.003 2
366 33 36 GLU C C 180.332 0.2 1
367 33 36 GLU CA C 59.565 0.056 1
368 33 36 GLU CB C 29.86 0.044 1
369 33 36 GLU CG C 36.493 0.053 1
370 33 36 GLU N N 118.164 0.048 1
371 34 37 SER H H 7.817 0.003 1
372 34 37 SER HA H 4.165 0.003 1
373 34 37 SER HB2 H 3.567 0.005 2
374 34 37 SER HB3 H 4.038 0.008 2
375 34 37 SER C C 174.121 0.2 1
376 34 37 SER CA C 62.357 0.063 1
377 34 37 SER CB C 63.42 0.08 1
378 34 37 SER N N 115.23 0.035 1
379 35 38 GLN H H 8.313 0.002 1
380 35 38 GLN HA H 3.473 0.006 1
381 35 38 GLN HB2 H 1.971 0.014 2
382 35 38 GLN HB3 H 2.074 0.009 2
383 35 38 GLN HG2 H 1.729 0.002 2
384 35 38 GLN HG3 H 2.124 0.005 2
385 35 38 GLN HE21 H 7.33 0.002 1
386 35 38 GLN HE22 H 6.505 0.001 1
387 35 38 GLN C C 177.367 0.2 1
388 35 38 GLN CA C 60.12 0.056 1
389 35 38 GLN CB C 29.76 0.061 1
390 35 38 GLN CG C 33.898 0.053 1
391 35 38 GLN CD C 177.815 0.014 1
392 35 38 GLN N N 123.825 0.053 1
393 35 38 GLN NE2 N 111.101 0.008 1
394 36 39 ASP H H 8.623 0.001 1
395 36 39 ASP HA H 4.282 0.006 1
396 36 39 ASP HB2 H 2.687 0.003 2
397 36 39 ASP HB3 H 2.519 0.005 2
398 36 39 ASP C C 178.442 0.2 1
399 36 39 ASP CA C 57.055 0.059 1
400 36 39 ASP CB C 39.742 0.059 1
401 36 39 ASP N N 118.568 0.009 1
402 37 40 ALA H H 7.796 0.001 1
403 37 40 ALA HA H 3.996 0.004 1
404 37 40 ALA HB H 1.367 0.001 1
405 37 40 ALA C C 179.21 0.2 1
406 37 40 ALA CA C 55.68 0.027 1
407 37 40 ALA CB C 17.828 0.03 1
408 37 40 ALA N N 123.031 0.012 1
409 38 41 VAL H H 7.69 0.003 1
410 38 41 VAL HA H 3.158 0.005 1
411 38 41 VAL HB H 1.782 0.004 1
412 38 41 VAL HG1 H 0.586 0.003 2
413 38 41 VAL HG2 H 0.278 0.003 2
414 38 41 VAL C C 177.777 0.2 1
415 38 41 VAL CA C 66.586 0.044 1
416 38 41 VAL CB C 31.524 0.051 1
417 38 41 VAL CG1 C 22.489 0.045 2
418 38 41 VAL CG2 C 21.73 0.057 2
419 38 41 VAL N N 115.762 0.017 1
420 39 42 ARG H H 8.05 0.003 1
421 39 42 ARG HA H 3.637 0.003 1
422 39 42 ARG HB2 H 1.795 0.002 2
423 39 42 ARG HB3 H 1.686 0.003 2
424 39 42 ARG HG2 H 1.547 0.002 2
425 39 42 ARG HG3 H 1.131 0.002 2
426 39 42 ARG HD2 H 2.737 0.008 2
427 39 42 ARG HD3 H 2.737 0.008 2
428 39 42 ARG C C 178.362 0.2 1
429 39 42 ARG CA C 60.674 0.083 1
430 39 42 ARG CB C 29.504 0.081 1
431 39 42 ARG CG C 29.498 0.088 1
432 39 42 ARG CD C 43.119 0.162 1
433 39 42 ARG N N 115.806 0.013 1
434 40 43 GLN H H 8.379 0.002 1
435 40 43 GLN HA H 4.021 0.002 1
436 40 43 GLN HB2 H 2.123 0.001 2
437 40 43 GLN HB3 H 2.162 0.001 2
438 40 43 GLN HG2 H 2.494 0.004 2
439 40 43 GLN HG3 H 2.307 0.004 2
440 40 43 GLN HE21 H 7.389 0.002 1
441 40 43 GLN HE22 H 6.826 0.001 1
442 40 43 GLN C C 179.413 0.2 1
443 40 43 GLN CA C 59.309 0.049 1
444 40 43 GLN CB C 28.46 0.066 1
445 40 43 GLN CG C 33.933 0.077 1
446 40 43 GLN CD C 180.241 0.018 1
447 40 43 GLN N N 119.866 0.046 1
448 40 43 GLN NE2 N 111.266 0.003 1
449 41 44 VAL H H 7.789 0.002 1
450 41 44 VAL HA H 3.753 0.004 1
451 41 44 VAL HB H 1.915 0.005 1
452 41 44 VAL HG1 H 0.899 0.004 2
453 41 44 VAL HG2 H 1.034 0.004 2
454 41 44 VAL C C 178.215 0.2 1
455 41 44 VAL CA C 66.586 0.059 1
456 41 44 VAL CB C 31.253 0.093 1
457 41 44 VAL CG1 C 21.601 0.064 2
458 41 44 VAL CG2 C 23.53 0.074 2
459 41 44 VAL N N 121.585 0.009 1
460 42 45 ALA H H 8.613 0.002 1
461 42 45 ALA HA H 3.956 0.003 1
462 42 45 ALA HB H 1.131 0.004 1
463 42 45 ALA C C 180.89 0.2 1
464 42 45 ALA CA C 55.355 0.063 1
465 42 45 ALA CB C 17.187 0.067 1
466 42 45 ALA N N 121.368 0.011 1
467 43 46 ALA H H 8.657 0.002 1
468 43 46 ALA HA H 4.376 0.003 1
469 43 46 ALA HB H 1.571 0.003 1
470 43 46 ALA C C 180.942 0.2 1
471 43 46 ALA CA C 55.229 0.045 1
472 43 46 ALA CB C 18.001 0.057 1
473 43 46 ALA N N 122.681 0.019 1
474 44 47 ALA H H 7.554 0.001 1
475 44 47 ALA HA H 4.304 0.003 1
476 44 47 ALA HB H 1.637 0.002 1
477 44 47 ALA C C 178.738 0.2 1
478 44 47 ALA CA C 54.201 0.063 1
479 44 47 ALA CB C 18.167 0.012 1
480 44 47 ALA N N 121.097 0.012 1
481 45 48 GLN H H 7.825 0.002 1
482 45 48 GLN HA H 4.59 0.004 1
483 45 48 GLN HB2 H 2.654 0.007 2
484 45 48 GLN HB3 H 2.118 0.01 2
485 45 48 GLN HG2 H 2.576 0.005 1
486 45 48 GLN HG3 H 2.576 0.005 1
487 45 48 GLN HE21 H 7.032 0.003 1
488 45 48 GLN HE22 H 7.208 0.002 1
489 45 48 GLN C C 175.639 0.2 1
490 45 48 GLN CA C 54.938 0.065 1
491 45 48 GLN CB C 28.643 0.038 1
492 45 48 GLN CG C 33.89 0.04 1
493 45 48 GLN CD C 180.116 0.007 1
494 45 48 GLN N N 116.019 0.012 1
495 45 48 GLN NE2 N 112.016 0.001 1
496 46 49 GLY H H 7.731 0.001 1
497 46 49 GLY HA2 H 4.306 0.007 2
498 46 49 GLY HA3 H 3.768 0.02 2
499 46 49 GLY C C 174.701 0.2 1
500 46 49 GLY CA C 45.568 0.046 1
501 46 49 GLY N N 105.717 0.019 1
502 47 50 PHE H H 8.308 0.003 1
503 47 50 PHE HA H 4.389 0.004 1
504 47 50 PHE HB2 H 2.433 0.006 2
505 47 50 PHE HB3 H 2.811 0.001 2
506 47 50 PHE C C 174.696 0.2 1
507 47 50 PHE CA C 56.857 0.05 1
508 47 50 PHE CB C 37.152 0.005 1
509 47 50 PHE N N 120.834 0.029 1
510 48 51 GLU H H 7.517 0.002 1
511 48 51 GLU HA H 4.391 0.003 1
512 48 51 GLU HB2 H 2.167 0.002 2
513 48 51 GLU HB3 H 1.954 0.002 2
514 48 51 GLU HG2 H 2.218 0.005 1
515 48 51 GLU HG3 H 2.218 0.005 1
516 48 51 GLU C C 175.523 0.2 1
517 48 51 GLU CA C 56.954 0.048 1
518 48 51 GLU CB C 31.871 0.033 1
519 48 51 GLU CG C 36.687 0.019 1
520 48 51 GLU N N 120.767 0.041 1
521 49 52 GLU H H 7.358 0.002 1
522 49 52 GLU HA H 4.374 0.001 1
523 49 52 GLU HB2 H 1.84 0.004 2
524 49 52 GLU HB3 H 1.84 0.004 2
525 49 52 GLU HG2 H 2.061 0.001 2
526 49 52 GLU HG3 H 2.117 0.001 2
527 49 52 GLU C C 173.666 0.2 1
528 49 52 GLU CA C 55.466 0.039 1
529 49 52 GLU CB C 32.12 0.021 1
530 49 52 GLU CG C 36.148 0.007 1
531 49 52 GLU N N 119.545 0.012 1
532 50 53 HIS H H 8.13 0.003 1
533 50 53 HIS HA H 5.326 0.002 1
534 50 53 HIS HB2 H 2.719 0.002 2
535 50 53 HIS HB3 H 2.663 0.001 2
536 50 53 HIS C C 174.947 0.2 1
537 50 53 HIS CA C 55.09 0.019 1
538 50 53 HIS CB C 33.214 0.023 1
539 50 53 HIS N N 122.407 0.037 1
540 51 54 HIS H H 8.253 0.002 1
541 51 54 HIS HA H 4.718 0.001 1
542 51 54 HIS HB2 H 2.993 0.02 2
543 51 54 HIS HB3 H 2.934 0.02 2
544 51 54 HIS C C 174.76 0.2 1
545 51 54 HIS CA C 55.201 0.028 1
546 51 54 HIS CB C 34.042 0.015 1
547 51 54 HIS N N 122.782 0.053 1
548 52 55 THR H H 8.603 0.004 1
549 52 55 THR HA H 5.356 0.002 1
550 52 55 THR HB H 3.729 0.004 1
551 52 55 THR HG2 H 1.021 0.001 1
552 52 55 THR C C 173.138 0.2 1
553 52 55 THR CA C 61.854 0.059 1
554 52 55 THR CB C 71.364 0.094 1
555 52 55 THR CG2 C 21.577 0.066 1
556 52 55 THR N N 120.85 0.035 1
557 53 56 PHE H H 9.26 0.003 1
558 53 56 PHE HA H 4.661 0.004 1
559 53 56 PHE HB2 H 2.57 0.002 2
560 53 56 PHE HB3 H 2.444 0.008 2
561 53 56 PHE C C 174.533 0.2 1
562 53 56 PHE CA C 56.971 0.07 1
563 53 56 PHE CB C 42.776 0.041 1
564 53 56 PHE N N 123.525 0.021 1
565 54 57 SER H H 8.739 0.002 1
566 54 57 SER HA H 4.632 0.005 1
567 54 57 SER HB2 H 3.785 0.003 2
568 54 57 SER HB3 H 3.71 0.001 2
569 54 57 SER C C 173.9 0.2 1
570 54 57 SER CA C 58.111 0.046 1
571 54 57 SER CB C 63.09 0.058 1
572 54 57 SER N N 118.249 0.035 1
573 55 58 ILE H H 8.531 0.002 1
574 55 58 ILE HA H 4.222 0.005 1
575 55 58 ILE HB H 2.156 0.005 1
576 55 58 ILE HG12 H 1.123 0.003 2
577 55 58 ILE HG13 H 1.203 0.002 2
578 55 58 ILE HG2 H 0.971 0.004 1
579 55 58 ILE HD1 H 0.429 0.004 1
580 55 58 ILE C C 173.397 0.2 1
581 55 58 ILE CA C 59.128 0.047 1
582 55 58 ILE CB C 35.989 0.032 1
583 55 58 ILE CG1 C 27.02 0.061 1
584 55 58 ILE CG2 C 19.057 0.063 1
585 55 58 ILE CD1 C 11.622 0.026 1
586 55 58 ILE N N 126.337 0.023 1
587 56 59 ASP H H 9.337 0.004 1
588 56 59 ASP HA H 4.639 0.004 1
589 56 59 ASP HB2 H 2.796 0.009 2
590 56 59 ASP HB3 H 3.136 0.009 2
591 56 59 ASP C C 175.082 0.2 1
592 56 59 ASP CA C 53.362 0.083 1
593 56 59 ASP CB C 40.753 0.077 1
594 56 59 ASP N N 129.463 0.014 1
595 57 60 PRO HA H 4.475 0.004 1
596 57 60 PRO HB2 H 2.524 0.009 2
597 57 60 PRO HB3 H 1.737 0.008 2
598 57 60 PRO HG2 H 1.975 0.009 2
599 57 60 PRO HG3 H 2.15 0.004 2
600 57 60 PRO HD2 H 3.62 0.004 2
601 57 60 PRO HD3 H 3.9 0.005 2
602 57 60 PRO C C 176.943 0.2 1
603 57 60 PRO CA C 65.781 0.055 1
604 57 60 PRO CB C 32.298 0.052 1
605 57 60 PRO CG C 28.164 0.074 1
606 57 60 PRO CD C 51.79 0.062 1
607 58 61 ASN H H 8.784 0.002 1
608 58 61 ASN HA H 4.933 0.007 1
609 58 61 ASN HB2 H 2.939 0.009 2
610 58 61 ASN HB3 H 2.682 0.006 2
611 58 61 ASN HD21 H 6.917 0.001 1
612 58 61 ASN HD22 H 7.785 0.001 1
613 58 61 ASN C C 175.421 0.2 1
614 58 61 ASN CA C 52.434 0.036 1
615 58 61 ASN CB C 39.591 0.075 1
616 58 61 ASN CG C 177.722 0.006 1
617 58 61 ASN N N 113.485 0.013 1
618 58 61 ASN ND2 N 114.402 0.001 1
619 59 62 THR H H 7.778 0.001 1
620 59 62 THR HA H 3.583 0.005 1
621 59 62 THR HB H 3.485 0.006 1
622 59 62 THR HG2 H -0.189 0.003 1
623 59 62 THR C C 173.125 0.2 1
624 59 62 THR CA C 65.739 0.024 1
625 59 62 THR CB C 70.514 0.151 1
626 59 62 THR CG2 C 20.385 0.134 1
627 59 62 THR N N 121.033 0.018 1
628 60 63 ASP H H 8.637 0.004 1
629 60 63 ASP HA H 4.712 0.005 1
630 60 63 ASP HB2 H 2.938 0.012 2
631 60 63 ASP HB3 H 2.54 0.008 2
632 60 63 ASP C C 175.737 0.2 1
633 60 63 ASP CA C 51.601 0.072 1
634 60 63 ASP CB C 38.994 0.042 1
635 60 63 ASP N N 126.521 0.015 1
636 61 64 TRP H H 7.979 0.001 1
637 61 64 TRP HA H 3.374 0.004 1
638 61 64 TRP HB2 H 2.594 0.002 2
639 61 64 TRP HB3 H 2.641 0.004 2
640 61 64 TRP C C 176.924 0.2 1
641 61 64 TRP CA C 60.613 0.06 1
642 61 64 TRP CB C 28.066 0.04 1
643 61 64 TRP N N 125.762 0.013 1
644 62 65 ASN H H 8.131 0.002 1
645 62 65 ASN HA H 4.382 0.003 1
646 62 65 ASN HB2 H 2.933 0.004 2
647 62 65 ASN HB3 H 2.826 0.008 2
648 62 65 ASN HD21 H 7.938 0.002 1
649 62 65 ASN HD22 H 7.037 0.003 1
650 62 65 ASN C C 178.242 0.2 1
651 62 65 ASN CA C 56.805 0.03 1
652 62 65 ASN CB C 37.865 0.033 1
653 62 65 ASN CG C 176.724 0.009 1
654 62 65 ASN N N 115.725 0.071 1
655 62 65 ASN ND2 N 114.373 0.001 1
656 63 66 ALA H H 7.396 0.001 1
657 63 66 ALA HA H 4.007 0.003 1
658 63 66 ALA HB H 1.395 0.004 1
659 63 66 ALA C C 179.974 0.2 1
660 63 66 ALA CA C 54.732 0.019 1
661 63 66 ALA CB C 17.839 0.044 1
662 63 66 ALA N N 123.361 0.025 1
663 64 67 ILE H H 6.609 0.002 1
664 64 67 ILE HA H 2.978 0.003 1
665 64 67 ILE HB H 1.338 0.006 1
666 64 67 ILE HG12 H 0.493 0.016 2
667 64 67 ILE HG13 H -1.192 0.007 2
668 64 67 ILE HG2 H 0.509 0.003 1
669 64 67 ILE HD1 H -0.561 0.004 1
670 64 67 ILE C C 178.018 0.2 1
671 64 67 ILE CA C 65.454 0.07 1
672 64 67 ILE CB C 37.304 0.044 1
673 64 67 ILE CG1 C 26.929 0.032 1
674 64 67 ILE CG2 C 17.334 0.057 1
675 64 67 ILE CD1 C 13.273 0.02 1
676 64 67 ILE N N 118.905 0.022 1
677 65 68 PHE H H 8.526 0.002 1
678 65 68 PHE HA H 4.496 0.006 1
679 65 68 PHE HB2 H 3.24 0.003 2
680 65 68 PHE HB3 H 3.133 0.003 2
681 65 68 PHE C C 180 0.2 1
682 65 68 PHE CA C 57.957 0.02 1
683 65 68 PHE CB C 36.761 0.036 1
684 65 68 PHE N N 118.407 0.007 1
685 66 69 SER H H 8.402 0.004 1
686 66 69 SER HA H 4.254 0.004 1
687 66 69 SER HB2 H 3.981 0.001 2
688 66 69 SER HB3 H 3.92 0.001 2
689 66 69 SER C C 176.97 0.2 1
690 66 69 SER CA C 62.165 0.098 1
691 66 69 SER CB C 62.847 0.009 1
692 66 69 SER N N 114.864 0.017 1
693 67 70 LEU H H 7.424 0.011 1
694 67 70 LEU HA H 4.175 0.004 1
695 67 70 LEU HB2 H 1.864 0.003 2
696 67 70 LEU HB3 H 1.644 0.006 2
697 67 70 LEU HG H 1.711 0.005 1
698 67 70 LEU HD1 H 0.566 0.005 2
699 67 70 LEU HD2 H 0.567 0.005 2
700 67 70 LEU C C 179.005 0.2 1
701 67 70 LEU CA C 57.681 0.051 1
702 67 70 LEU CB C 41.718 0.066 1
703 67 70 LEU CG C 26.278 0.048 1
704 67 70 LEU CD1 C 25.198 0.066 2
705 67 70 LEU CD2 C 23.919 0.031 2
706 67 70 LEU N N 122.504 0.015 1
707 68 71 CYS H H 7.542 0.002 1
708 68 71 CYS HA H 4.249 0.006 1
709 68 71 CYS HB2 H 3.272 0.003 2
710 68 71 CYS HB3 H 2.946 0.009 2
711 68 71 CYS C C 175.256 0.2 1
712 68 71 CYS CA C 57.73 0.5 1
713 68 71 CYS CB C 28.124 0.074 1
714 68 71 CYS N N 114.928 0.018 1
715 69 72 GLN H H 7.55 0.002 1
716 69 72 GLN HA H 4.366 0.005 1
717 69 72 GLN HB2 H 2.214 0.008 2
718 69 72 GLN HB3 H 2.054 0.002 2
719 69 72 GLN HG2 H 2.37 0.002 2
720 69 72 GLN HG3 H 2.465 0.002 2
721 69 72 GLN HE21 H 7.22 0.002 1
722 69 72 GLN HE22 H 6.829 0.001 1
723 69 72 GLN C C 175.919 0.2 1
724 69 72 GLN CA C 56.228 0.053 1
725 69 72 GLN CB C 30.026 0.044 1
726 69 72 GLN CG C 34.539 0.019 1
727 69 72 GLN CD C 180.249 0.014 1
728 69 72 GLN N N 116.374 0.014 1
729 69 72 GLN NE2 N 111.446 0.001 1
730 70 73 ALA H H 7.928 0.001 1
731 70 73 ALA HA H 4.191 0.001 1
732 70 73 ALA HB H 1.372 0.001 1
733 70 73 ALA C C 178.062 0.2 1
734 70 73 ALA CA C 53.344 0.024 1
735 70 73 ALA CB C 18.735 0.011 1
736 70 73 ALA N N 124.488 0.012 1
737 71 74 MET H H 8.304 0.001 1
738 71 74 MET HA H 4.394 0.003 1
739 71 74 MET HB2 H 1.991 0.002 2
740 71 74 MET HB3 H 2.053 0.002 2
741 71 74 MET HG2 H 2.508 0.001 2
742 71 74 MET HG3 H 2.572 0.004 2
743 71 74 MET C C 176.73 0.2 1
744 71 74 MET CA C 56.199 0.055 1
745 71 74 MET CB C 32.449 0.082 1
746 71 74 MET CG C 32.447 0.083 1
747 71 74 MET N N 119.208 0.007 1
748 72 75 SER H H 8.129 0.001 1
749 72 75 SER HA H 4.341 0.005 1
750 72 75 SER HB2 H 3.877 0.001 2
751 72 75 SER HB3 H 3.811 0.001 2
752 72 75 SER C C 175.041 0.2 1
753 72 75 SER CA C 58.862 0.091 1
754 72 75 SER CB C 63.446 0.093 1
755 72 75 SER N N 115.821 0.052 1
756 73 76 LEU H H 8.107 0.001 1
757 73 76 LEU HA H 4.126 0.004 1
758 73 76 LEU HB2 H 1.387 0.013 2
759 73 76 LEU HB3 H 1.197 0.005 2
760 73 76 LEU HG H 1.408 0.009 1
761 73 76 LEU HD1 H 0.813 0.003 2
762 73 76 LEU HD2 H 0.745 0.002 2
763 73 76 LEU C C 177.296 0.2 1
764 73 76 LEU CA C 58.804 0.5 1
765 73 76 LEU CB C 42.111 0.033 1
766 73 76 LEU CG C 26.874 0.027 1
767 73 76 LEU CD1 C 24.728 0.019 2
768 73 76 LEU CD2 C 23.31 0.068 2
769 73 76 LEU N N 122.767 0.003 1
770 74 77 PHE H H 7.95 0.001 1
771 74 77 PHE HA H 4.657 0.003 1
772 74 77 PHE HB2 H 3.272 0.002 2
773 74 77 PHE HB3 H 2.927 0.001 2
774 74 77 PHE C C 175.072 0.2 1
775 74 77 PHE CA C 57.076 0.068 1
776 74 77 PHE CB C 39.487 0.029 1
777 74 77 PHE N N 117.464 0.003 1
778 75 78 ALA H H 8.039 0.001 1
779 75 78 ALA HA H 4.354 0.001 1
780 75 78 ALA HB H 1.393 0.004 1
781 75 78 ALA C C 176.922 0.2 1
782 75 78 ALA CA C 57.043 0.5 1
783 75 78 ALA CB C 19.097 0.039 1
784 75 78 ALA N N 123.863 0.007 1
785 76 79 SER H H 8.024 0.001 1
786 76 79 SER HA H 4.547 0.002 1
787 76 79 SER HB2 H 3.799 0.001 1
788 76 79 SER HB3 H 3.799 0.001 1
789 76 79 SER C C 173.907 0.2 1
790 76 79 SER CA C 57.731 0.052 1
791 76 79 SER CB C 64.442 0.042 1
792 76 79 SER N N 114.787 0.004 1
793 77 80 ARG H H 8.249 0.001 1
794 77 80 ARG HA H 4.824 0.006 1
795 77 80 ARG HB2 H 1.109 0.006 2
796 77 80 ARG HB3 H 0.898 0.008 2
797 77 80 ARG HG2 H 1.101 0.006 2
798 77 80 ARG HG3 H 1.532 0.005 2
799 77 80 ARG HD2 H 1.974 0.004 2
800 77 80 ARG HD3 H 2.854 0.003 2
801 77 80 ARG C C 176.12 0.2 1
802 77 80 ARG CA C 56.34 0.012 1
803 77 80 ARG CB C 30.634 0.036 1
804 77 80 ARG CG C 27.031 0.061 1
805 77 80 ARG CD C 43.397 0.08 1
806 77 80 ARG N N 122.773 0.005 1
807 78 81 GLN H H 8.362 0.002 1
808 78 81 GLN HA H 5.595 0.003 1
809 78 81 GLN HB2 H 2.054 0.003 2
810 78 81 GLN HB3 H 2.138 0.003 2
811 78 81 GLN HG2 H 2.382 0.005 2
812 78 81 GLN HG3 H 2.307 0.005 2
813 78 81 GLN C C 175.429 0.2 1
814 78 81 GLN CA C 54.57 0.067 1
815 78 81 GLN CB C 34.351 0.09 1
816 78 81 GLN CG C 34.362 0.091 1
817 78 81 GLN N N 119.622 0.112 1
818 79 82 THR H H 9.122 0.003 1
819 79 82 THR HA H 5.438 0.004 1
820 79 82 THR HB H 4.141 0.004 1
821 79 82 THR HG2 H 1.159 0.001 1
822 79 82 THR C C 173.079 0.2 1
823 79 82 THR CA C 60.382 0.055 1
824 79 82 THR CB C 70.743 0.094 1
825 79 82 THR CG2 C 22.727 0.071 1
826 79 82 THR N N 111.643 0.021 1
827 80 83 LEU H H 8.941 0.003 1
828 80 83 LEU HA H 5.05 0.004 1
829 80 83 LEU HB2 H 1.75 0.008 2
830 80 83 LEU HB3 H 1.327 0.005 2
831 80 83 LEU HG H 1.451 0.003 1
832 80 83 LEU HD1 H 0.933 0.002 2
833 80 83 LEU HD2 H 0.787 0.002 2
834 80 83 LEU C C 172.393 0.2 1
835 80 83 LEU CA C 53.621 0.034 1
836 80 83 LEU CB C 45.972 0.034 1
837 80 83 LEU CG C 27.883 0.034 1
838 80 83 LEU CD1 C 24.838 0.05 2
839 80 83 LEU CD2 C 26.296 0.022 2
840 80 83 LEU N N 125.041 0.017 1
841 81 84 LEU H H 8.98 0.003 1
842 81 84 LEU HA H 5.699 0.004 1
843 81 84 LEU HB2 H 2.103 0.006 2
844 81 84 LEU HB3 H 1.205 0.003 2
845 81 84 LEU HG H 1.322 0.003 1
846 81 84 LEU HD1 H 0.792 0.002 2
847 81 84 LEU HD2 H 0.701 0.006 2
848 81 84 LEU C C 174.371 0.2 1
849 81 84 LEU CA C 53.377 0.09 1
850 81 84 LEU CB C 44.277 0.053 1
851 81 84 LEU CG C 27.852 0.093 1
852 81 84 LEU CD1 C 26.84 0.042 2
853 81 84 LEU CD2 C 24.521 0.055 2
854 81 84 LEU N N 128.472 0.042 1
855 82 85 LEU H H 9.234 0.002 1
856 82 85 LEU HA H 5.334 0.004 1
857 82 85 LEU HB2 H 1.799 0.005 2
858 82 85 LEU HB3 H 1.19 0.007 2
859 82 85 LEU HG H 1.624 0.006 1
860 82 85 LEU HD1 H 0.738 0.006 2
861 82 85 LEU HD2 H 0.737 0.005 2
862 82 85 LEU C C 175.041 0.2 1
863 82 85 LEU CA C 52.605 0.112 1
864 82 85 LEU CB C 43.607 0.079 1
865 82 85 LEU CG C 27.043 0.053 1
866 82 85 LEU CD1 C 24.087 0.071 2
867 82 85 LEU CD2 C 26.104 0.036 2
868 82 85 LEU N N 125.34 0.021 1
869 83 86 LEU H H 8.418 0.004 1
870 83 86 LEU HA H 5.018 0.002 1
871 83 86 LEU HB2 H 1.81 0.003 2
872 83 86 LEU HB3 H 1.589 0.003 2
873 83 86 LEU HG H 1.476 0.003 1
874 83 86 LEU HD1 H 0.787 0.003 2
875 83 86 LEU HD2 H 0.792 0.005 2
876 83 86 LEU C C 176.531 0.2 1
877 83 86 LEU CA C 53.039 0.201 1
878 83 86 LEU CB C 41.361 0.041 1
879 83 86 LEU CG C 27.307 0.023 1
880 83 86 LEU CD1 C 25.211 0.073 2
881 83 86 LEU CD2 C 24.051 0.056 2
882 83 86 LEU N N 122.965 0.026 1
883 84 87 LEU H H 8.708 0.002 1
884 84 87 LEU HA H 4.312 0.003 1
885 84 87 LEU HB2 H 2.186 0.009 2
886 84 87 LEU HB3 H 1.308 0.004 2
887 84 87 LEU HG H 1.688 0.002 1
888 84 87 LEU HD1 H 0.86 0.005 2
889 84 87 LEU HD2 H 0.661 0.004 2
890 84 87 LEU C C 174.266 0.2 1
891 84 87 LEU CA C 53.689 0.064 1
892 84 87 LEU CB C 41.347 0.03 1
893 84 87 LEU CG C 26.76 0.036 1
894 84 87 LEU CD1 C 25.424 0.065 2
895 84 87 LEU CD2 C 22.127 0.063 2
896 84 87 LEU N N 122.714 0.019 1
897 85 88 PRO HA H 4.752 0.004 1
898 85 88 PRO HB2 H 2.555 0.005 2
899 85 88 PRO HB3 H 2.135 0.004 2
900 85 88 PRO HG2 H 1.791 0.003 2
901 85 88 PRO HG3 H 2.018 0.003 2
902 85 88 PRO HD2 H 3.061 0.005 2
903 85 88 PRO HD3 H 3.772 0.007 2
904 85 88 PRO C C 178.582 0.2 1
905 85 88 PRO CA C 62.441 0.059 1
906 85 88 PRO CB C 31.889 0.054 1
907 85 88 PRO CG C 27.344 0.115 1
908 85 88 PRO CD C 49.687 0.047 1
909 86 89 GLU H H 9.11 0.004 1
910 86 89 GLU HA H 4.052 0.004 1
911 86 89 GLU HB2 H 2.092 0.005 2
912 86 89 GLU HB3 H 1.968 0.005 2
913 86 89 GLU HG2 H 2.298 0.001 1
914 86 89 GLU HG3 H 2.298 0.001 1
915 86 89 GLU C C 177.222 0.2 1
916 86 89 GLU CA C 59.809 0.033 1
917 86 89 GLU CB C 29.728 0.042 1
918 86 89 GLU CG C 35.941 0.164 1
919 86 89 GLU N N 124.097 0.032 1
920 87 90 ASN H H 8.594 0.003 1
921 87 90 ASN HA H 4.854 0.011 1
922 87 90 ASN HB2 H 2.991 0.008 2
923 87 90 ASN HB3 H 2.879 0.01 2
924 87 90 ASN HD21 H 6.985 0.002 1
925 87 90 ASN HD22 H 7.601 0.002 1
926 87 90 ASN C C 175.726 0.2 1
927 87 90 ASN CA C 53.505 0.062 1
928 87 90 ASN CB C 38.035 0.068 1
929 87 90 ASN CG C 177.658 0.012 1
930 87 90 ASN N N 113.502 0.019 1
931 87 90 ASN ND2 N 112.829 0.002 1
932 88 91 GLY H H 8.106 0.002 1
933 88 91 GLY HA2 H 3.668 0.002 2
934 88 91 GLY HA3 H 4.261 0.005 2
935 88 91 GLY C C 169.77 0.2 1
936 88 91 GLY CA C 45.389 0.015 1
937 88 91 GLY N N 106.783 0.006 1
938 89 92 PRO HA H 4.013 0.007 1
939 89 92 PRO HB2 H 2.333 0.004 2
940 89 92 PRO HB3 H 2.023 0.003 2
941 89 92 PRO HG2 H 1.698 0.007 2
942 89 92 PRO HG3 H 2.589 0.004 2
943 89 92 PRO HD2 H 3.528 0.003 1
944 89 92 PRO HD3 H 3.528 0.003 1
945 89 92 PRO C C 175.346 0.2 1
946 89 92 PRO CA C 63.933 0.042 1
947 89 92 PRO CB C 32.98 0.061 1
948 89 92 PRO CG C 28.249 0.063 1
949 89 92 PRO CD C 49.748 0.026 1
950 90 93 ASN H H 6.755 0.002 1
951 90 93 ASN HA H 4.822 0.001 1
952 90 93 ASN HB2 H 3.048 0.006 2
953 90 93 ASN HB3 H 3.366 0.009 2
954 90 93 ASN C C 174.768 0.2 1
955 90 93 ASN CA C 50.963 0.031 1
956 90 93 ASN CB C 39.326 0.04 1
957 90 93 ASN N N 120.287 0.018 1
958 91 94 ALA HA H 4.158 0.002 1
959 91 94 ALA HB H 1.483 0.003 1
960 91 94 ALA C C 179.785 0.2 1
961 91 94 ALA CA C 56.302 0.049 1
962 91 94 ALA CB C 17.891 0.002 1
963 92 95 ALA H H 8.015 0.001 1
964 92 95 ALA HA H 4.143 0.001 1
965 92 95 ALA HB H 1.46 0.02 1
966 92 95 ALA C C 180.913 0.2 1
967 92 95 ALA CA C 55.165 0.023 1
968 92 95 ALA CB C 18.164 0.027 1
969 92 95 ALA N N 120.742 0.01 1
970 93 96 ILE H H 8.216 0.004 1
971 93 96 ILE HA H 3.459 0.003 1
972 93 96 ILE HB H 1.615 0.009 1
973 93 96 ILE HG12 H 1.181 0.005 2
974 93 96 ILE HG13 H 2.024 0.005 2
975 93 96 ILE HG2 H 0.846 0.006 1
976 93 96 ILE HD1 H 0.85 0.007 1
977 93 96 ILE C C 177.369 0.2 1
978 93 96 ILE CA C 64.968 0.068 1
979 93 96 ILE CB C 38.884 0.046 1
980 93 96 ILE CG1 C 29.443 0.06 1
981 93 96 ILE CG2 C 17.757 0.04 1
982 93 96 ILE CD1 C 14.463 0.035 1
983 93 96 ILE N N 118.526 0.023 1
984 94 97 ASN H H 8.884 0.002 1
985 94 97 ASN HA H 4.39 0.003 1
986 94 97 ASN HB2 H 3.118 0.006 2
987 94 97 ASN HB3 H 3.179 0.007 2
988 94 97 ASN C C 179.535 0.2 1
989 94 97 ASN CA C 56.081 0.076 1
990 94 97 ASN CB C 37.351 0.074 1
991 94 97 ASN N N 119.727 0.015 1
992 95 98 GLU H H 7.685 0.001 1
993 95 98 GLU HA H 4.005 0.005 1
994 95 98 GLU HB2 H 2.027 0.009 1
995 95 98 GLU HB3 H 2.027 0.009 1
996 95 98 GLU HG2 H 2.217 0.002 2
997 95 98 GLU HG3 H 2.364 0.007 2
998 95 98 GLU C C 178.397 0.2 1
999 95 98 GLU CA C 59.579 0.067 1
1000 95 98 GLU CB C 29.509 0.029 1
1001 95 98 GLU CG C 35.824 0.069 1
1002 95 98 GLU N N 121.328 0.022 1
1003 96 99 GLN H H 7.065 0.002 1
1004 96 99 GLN HA H 4.019 0.003 1
1005 96 99 GLN HB2 H 0.275 0.02 1
1006 96 99 GLN HB3 H 0.319 0.02 1
1007 96 99 GLN HG2 H 0.656 0.006 2
1008 96 99 GLN HG3 H 1.946 0.008 2
1009 96 99 GLN HE21 H 6.789 0.02 1
1010 96 99 GLN HE22 H 6.5 0.002 1
1011 96 99 GLN C C 178.843 0.2 1
1012 96 99 GLN CA C 57.428 0.039 1
1013 96 99 GLN CB C 25.099 0.049 1
1014 96 99 GLN CG C 30.764 0.045 1
1015 96 99 GLN CD C 179.134 0.006 1
1016 96 99 GLN N N 118.192 0.02 1
1017 96 99 GLN NE2 N 110.822 0.003 1
1018 97 100 LEU H H 8.344 0.014 1
1019 97 100 LEU HA H 3.807 0.005 1
1020 97 100 LEU HB2 H 1.269 0.008 2
1021 97 100 LEU HB3 H 0.469 0.007 2
1022 97 100 LEU HG H 1.349 0.01 1
1023 97 100 LEU HD1 H -0.618 0.003 2
1024 97 100 LEU HD2 H 0.402 0.006 2
1025 97 100 LEU C C 179.395 0.2 1
1026 97 100 LEU CA C 57.218 0.071 1
1027 97 100 LEU CB C 41.011 0.045 1
1028 97 100 LEU CG C 25.885 0.052 1
1029 97 100 LEU CD1 C 23.671 0.022 2
1030 97 100 LEU CD2 C 22.294 0.058 2
1031 97 100 LEU N N 117.411 0.02 1
1032 98 101 LEU H H 7.818 0.002 1
1033 98 101 LEU HA H 4.097 0.009 1
1034 98 101 LEU HB2 H 2.163 0.021 2
1035 98 101 LEU HB3 H 1.646 0.008 2
1036 98 101 LEU HG H 1.475 0.004 1
1037 98 101 LEU HD1 H 0.921 0.003 2
1038 98 101 LEU HD2 H 0.758 0.006 2
1039 98 101 LEU C C 180.554 0.2 1
1040 98 101 LEU CA C 58.408 0.078 1
1041 98 101 LEU CB C 40.813 0.063 1
1042 98 101 LEU CG C 26.897 0.041 1
1043 98 101 LEU CD2 C 22.094 0.079 1
1044 98 101 LEU N N 120.758 0.041 1
1045 99 102 THR H H 7.778 0.001 1
1046 99 102 THR HA H 3.603 0.005 1
1047 99 102 THR HB H 4.162 0.007 1
1048 99 102 THR HG2 H 0.369 0.001 1
1049 99 102 THR C C 176.879 0.2 1
1050 99 102 THR CA C 66.362 0.038 1
1051 99 102 THR CB C 67.71 0.047 1
1052 99 102 THR CG2 C 21.193 0.044 1
1053 99 102 THR N N 120.453 0.013 1
1054 100 103 LEU H H 8.196 0.003 1
1055 100 103 LEU HA H 3.946 0.004 1
1056 100 103 LEU HB2 H 1.756 0.013 2
1057 100 103 LEU HB3 H 2.425 0.012 2
1058 100 103 LEU HG H 1.615 0.002 1
1059 100 103 LEU HD1 H 0.936 0.003 2
1060 100 103 LEU HD2 H 1.024 0.003 2
1061 100 103 LEU C C 178.89 0.2 1
1062 100 103 LEU CA C 58.805 0.088 1
1063 100 103 LEU CB C 42.156 0.049 1
1064 100 103 LEU CG C 27.791 0.108 1
1065 100 103 LEU CD1 C 27.871 0.089 2
1066 100 103 LEU CD2 C 25.435 0.068 2
1067 100 103 LEU N N 122.299 0.036 1
1068 101 104 THR H H 8.359 0.003 1
1069 101 104 THR HA H 3.867 0.002 1
1070 101 104 THR HB H 4.124 0.004 1
1071 101 104 THR HG2 H 1.71 0.004 1
1072 101 104 THR C C 176.367 0.2 1
1073 101 104 THR CA C 66.467 0.074 1
1074 101 104 THR CB C 69.453 0.137 1
1075 101 104 THR CG2 C 21.995 0.054 1
1076 101 104 THR N N 108.241 0.025 1
1077 102 105 GLY H H 7.427 0.002 1
1078 102 105 GLY HA2 H 4.215 0.005 2
1079 102 105 GLY HA3 H 3.901 0.006 2
1080 102 105 GLY C C 174.489 0.2 1
1081 102 105 GLY CA C 45.898 0.024 1
1082 102 105 GLY N N 107.503 0.022 1
1083 103 106 LEU H H 7.727 0.001 1
1084 103 106 LEU HA H 4.478 0.003 1
1085 103 106 LEU HB2 H 1.987 0.003 2
1086 103 106 LEU HB3 H 1.599 0.004 2
1087 103 106 LEU HD1 H 0.725 0.003 2
1088 103 106 LEU HD2 H 0.692 0.001 2
1089 103 106 LEU C C 176.927 0.2 1
1090 103 106 LEU CA C 54.194 0.082 1
1091 103 106 LEU CB C 43.157 0.073 1
1092 103 106 LEU CD1 C 22.188 0.049 2
1093 103 106 LEU CD2 C 26.212 0.068 2
1094 103 106 LEU N N 119.35 0.018 1
1095 104 107 LEU H H 6.862 0.002 1
1096 104 107 LEU HA H 3.978 0.003 1
1097 104 107 LEU HB2 H 1.839 0.006 2
1098 104 107 LEU HB3 H 1.688 0.003 2
1099 104 107 LEU HG H 2.083 0.004 1
1100 104 107 LEU HD1 H 0.898 0.003 2
1101 104 107 LEU HD2 H 0.841 0.002 2
1102 104 107 LEU C C 175.241 0.2 1
1103 104 107 LEU CA C 56.347 0.052 1
1104 104 107 LEU CB C 41.49 0.037 1
1105 104 107 LEU CG C 25.805 0.076 1
1106 104 107 LEU CD1 C 25.799 0.049 2
1107 104 107 LEU CD2 C 22.791 0.036 2
1108 104 107 LEU N N 116.462 0.026 1
1109 105 108 HIS H H 6.745 0.001 1
1110 105 108 HIS HA H 4.891 0.005 1
1111 105 108 HIS HB2 H 3.316 0.005 2
1112 105 108 HIS HB3 H 3.244 0.006 2
1113 105 108 HIS C C 175.772 0.2 1
1114 105 108 HIS CA C 54.617 0.048 1
1115 105 108 HIS CB C 32.796 0.037 1
1116 105 108 HIS N N 116.264 0.006 1
1117 106 109 ASP H H 8.678 0.001 1
1118 106 109 ASP HA H 4.511 0.003 1
1119 106 109 ASP HB2 H 2.862 0.006 2
1120 106 109 ASP HB3 H 2.699 0.007 2
1121 106 109 ASP C C 177.142 0.2 1
1122 106 109 ASP CA C 57.431 0.033 1
1123 106 109 ASP CB C 41.077 0.036 1
1124 106 109 ASP N N 117.16 0.034 1
1125 107 110 ASP H H 8.923 0.004 1
1126 107 110 ASP HA H 5.088 0.003 1
1127 107 110 ASP HB2 H 3.33 0.009 2
1128 107 110 ASP HB3 H 2.769 0.012 2
1129 107 110 ASP C C 173.279 0.2 1
1130 107 110 ASP CA C 54.647 0.027 1
1131 107 110 ASP CB C 41.573 0.036 1
1132 107 110 ASP N N 119.128 0.026 1
1133 108 111 LEU H H 7.88 0.002 1
1134 108 111 LEU HA H 5.416 0.003 1
1135 108 111 LEU HB2 H 1.374 0.006 2
1136 108 111 LEU HB3 H 1.038 0.006 2
1137 108 111 LEU HG H 1.383 0.005 1
1138 108 111 LEU HD1 H 0.9 0.003 2
1139 108 111 LEU HD2 H 0.849 0.004 2
1140 108 111 LEU C C 173.958 0.2 1
1141 108 111 LEU CA C 53.482 0.085 1
1142 108 111 LEU CB C 44.874 0.018 1
1143 108 111 LEU CG C 27.689 0.067 1
1144 108 111 LEU CD1 C 26.375 0.034 2
1145 108 111 LEU CD2 C 25.007 0.038 2
1146 108 111 LEU N N 124.173 0.017 1
1147 109 112 LEU H H 8.512 0.002 1
1148 109 112 LEU HA H 4.614 0.003 1
1149 109 112 LEU HB2 H 1.269 0.012 2
1150 109 112 LEU HB3 H 0.942 0.007 2
1151 109 112 LEU HG H 1.312 0.003 1
1152 109 112 LEU HD1 H 0.783 0.003 2
1153 109 112 LEU HD2 H 0.427 0.004 2
1154 109 112 LEU C C 174.197 0.2 1
1155 109 112 LEU CA C 54.676 0.063 1
1156 109 112 LEU CB C 44.593 0.092 1
1157 109 112 LEU CG C 27.62 0.118 1
1158 109 112 LEU CD1 C 25.259 0.12 2
1159 109 112 LEU CD2 C 26.33 0.036 2
1160 109 112 LEU N N 128.139 0.02 1
1161 110 113 LEU H H 7.807 0.006 1
1162 110 113 LEU HA H 5.144 0.006 1
1163 110 113 LEU HB2 H 2.032 0.006 2
1164 110 113 LEU HB3 H 1.348 0.012 2
1165 110 113 LEU HG H 1.495 0.005 1
1166 110 113 LEU HD1 H 0.805 0.003 2
1167 110 113 LEU HD2 H 0.939 0.005 2
1168 110 113 LEU C C 174.047 0.2 1
1169 110 113 LEU CA C 53.926 0.058 1
1170 110 113 LEU CB C 44.834 0.048 1
1171 110 113 LEU CG C 27.818 0.033 1
1172 110 113 LEU CD1 C 25.849 0.023 2
1173 110 113 LEU CD2 C 23.704 0.07 2
1174 110 113 LEU N N 128.437 0.026 1
1175 111 114 ILE H H 9.717 0.005 1
1176 111 114 ILE HA H 5.315 0.005 1
1177 111 114 ILE HB H 1.768 0.012 1
1178 111 114 ILE HG12 H 1.679 0.009 2
1179 111 114 ILE HG13 H 0.822 0.013 2
1180 111 114 ILE HG2 H 0.833 0.003 1
1181 111 114 ILE HD1 H 0.705 0.003 1
1182 111 114 ILE C C 174.371 0.2 1
1183 111 114 ILE CA C 59.894 0.066 1
1184 111 114 ILE CB C 40.585 0.05 1
1185 111 114 ILE CG1 C 27.818 0.061 1
1186 111 114 ILE CG2 C 19.072 0.034 1
1187 111 114 ILE CD1 C 14.435 0.033 1
1188 111 114 ILE N N 127.403 0.142 1
1189 112 115 VAL H H 9.158 0.004 1
1190 112 115 VAL HA H 4.918 0.003 1
1191 112 115 VAL HB H 2.097 0.004 1
1192 112 115 VAL HG1 H 0.926 0.005 2
1193 112 115 VAL HG2 H 0.893 0.001 2
1194 112 115 VAL C C 173.53 0.2 1
1195 112 115 VAL CA C 60.745 0.046 1
1196 112 115 VAL CB C 34.557 0.058 1
1197 112 115 VAL CG1 C 21.33 0.156 2
1198 112 115 VAL CG2 C 20.696 0.083 2
1199 112 115 VAL N N 127.121 0.022 1
1200 113 116 ARG H H 9.02 0.002 1
1201 113 116 ARG HA H 5.98 0.003 1
1202 113 116 ARG HB2 H 1.884 0.003 2
1203 113 116 ARG HB3 H 1.58 0.006 2
1204 113 116 ARG HG2 H 1.612 0.003 2
1205 113 116 ARG HG3 H 1.884 0.003 2
1206 113 116 ARG HD2 H 2.98 0.003 2
1207 113 116 ARG HD3 H 3.234 0.003 2
1208 113 116 ARG C C 174.789 0.2 1
1209 113 116 ARG CA C 53.422 0.066 1
1210 113 116 ARG CB C 34.883 0.048 1
1211 113 116 ARG CG C 27.439 0.028 1
1212 113 116 ARG CD C 44.133 0.068 1
1213 113 116 ARG N N 127.691 0.014 1
1214 114 117 GLY H H 8.809 0.002 1
1215 114 117 GLY HA2 H 4.342 0.007 2
1216 114 117 GLY HA3 H 4.107 0.003 2
1217 114 117 GLY C C 170.733 0.2 1
1218 114 117 GLY CA C 45.784 0.063 1
1219 114 117 GLY N N 113.022 0.014 1
1220 115 118 ASN H H 8.756 0.002 1
1221 115 118 ASN HA H 4.75 0.006 1
1222 115 118 ASN HB2 H 2.881 0.01 2
1223 115 118 ASN HB3 H 2.729 0.014 2
1224 115 118 ASN HD21 H 7.105 0.002 1
1225 115 118 ASN HD22 H 7.806 0.001 1
1226 115 118 ASN C C 174.567 0.2 1
1227 115 118 ASN CA C 52.982 0.064 1
1228 115 118 ASN CB C 39.84 0.065 1
1229 115 118 ASN CG C 177.36 0.011 1
1230 115 118 ASN N N 116.419 0.021 1
1231 115 118 ASN ND2 N 113.755 0.04 1
1232 116 119 LYS H H 8.306 0.002 1
1233 116 119 LYS HA H 3.794 0.004 1
1234 116 119 LYS HB2 H 1.647 0.003 1
1235 116 119 LYS HB3 H 1.647 0.003 1
1236 116 119 LYS HG2 H 1.366 0.003 2
1237 116 119 LYS HG3 H 1.413 0.004 2
1238 116 119 LYS HD2 H 1.604 0.003 2
1239 116 119 LYS HD3 H 1.651 0.004 2
1240 116 119 LYS HE2 H 2.978 0.001 1
1241 116 119 LYS HE3 H 2.978 0.001 1
1242 116 119 LYS C C 177.011 0.2 1
1243 116 119 LYS CA C 57.965 0.026 1
1244 116 119 LYS CB C 33.023 0.047 1
1245 116 119 LYS CG C 24.725 0.01 1
1246 116 119 LYS CD C 29.527 0.043 1
1247 116 119 LYS CE C 42.04 0.051 1
1248 116 119 LYS N N 116.027 0.011 1
1249 117 120 LEU H H 8.233 0.002 1
1250 117 120 LEU HA H 4.467 0.004 1
1251 117 120 LEU HB2 H 1.623 0.011 2
1252 117 120 LEU HB3 H 1.444 0.007 2
1253 117 120 LEU HG H 1.866 0.004 1
1254 117 120 LEU HD1 H 0.735 0.008 2
1255 117 120 LEU HD2 H 0.87 0.003 2
1256 117 120 LEU C C 177.725 0.2 1
1257 117 120 LEU CA C 54.153 0.086 1
1258 117 120 LEU CB C 42.38 0.09 1
1259 117 120 LEU CG C 26.823 0.073 1
1260 117 120 LEU CD1 C 26.805 0.068 2
1261 117 120 LEU CD2 C 22.693 0.11 2
1262 117 120 LEU N N 125.994 0.008 1
1263 118 121 SER H H 9.049 0.002 1
1264 118 121 SER HA H 4.387 0.152 1
1265 118 121 SER HB2 H 4.309 0.01 2
1266 118 121 SER HB3 H 3.978 0.159 2
1267 118 121 SER C C 174.629 0.2 1
1268 118 121 SER CA C 56.865 0.043 1
1269 118 121 SER CB C 64.64 2.148 1
1270 118 121 SER N N 118.816 0.023 1
1271 119 122 LYS H H 8.669 0.002 1
1272 119 122 LYS HA H 3.858 0.004 1
1273 119 122 LYS HB2 H 1.705 0.002 2
1274 119 122 LYS HB3 H 1.782 0.004 2
1275 119 122 LYS HG2 H 1.382 0.002 2
1276 119 122 LYS HG3 H 1.45 0.002 2
1277 119 122 LYS HD2 H 1.619 0.004 1
1278 119 122 LYS HD3 H 1.619 0.004 1
1279 119 122 LYS HE2 H 2.937 0.005 1
1280 119 122 LYS HE3 H 2.937 0.005 1
1281 119 122 LYS C C 179.098 0.2 1
1282 119 122 LYS CA C 59.171 0.086 1
1283 119 122 LYS CB C 31.437 0.046 1
1284 119 122 LYS CG C 24.698 0.023 1
1285 119 122 LYS CD C 28.565 0.02 1
1286 119 122 LYS CE C 42.081 0.039 1
1287 119 122 LYS N N 121.275 0.036 1
1288 120 123 ALA H H 8.146 0.001 1
1289 120 123 ALA HA H 4.033 0.002 1
1290 120 123 ALA HB H 1.324 0.003 1
1291 120 123 ALA C C 181.74 0.2 1
1292 120 123 ALA CA C 54.889 0.05 1
1293 120 123 ALA CB C 18.187 0.028 1
1294 120 123 ALA N N 119.322 0.01 1
1295 121 124 GLN H H 7.697 0.001 1
1296 121 124 GLN HA H 4.061 0.007 1
1297 121 124 GLN HB2 H 2.365 0.019 2
1298 121 124 GLN HB3 H 2.054 0.012 2
1299 121 124 GLN HG2 H 2.601 0.003 2
1300 121 124 GLN HG3 H 2.491 0.02 2
1301 121 124 GLN C C 178.777 0.2 1
1302 121 124 GLN CA C 58.379 0.04 1
1303 121 124 GLN CB C 28.904 0.052 1
1304 121 124 GLN CG C 34.973 0.038 1
1305 121 124 GLN N N 118.881 0.011 1
1306 122 125 GLU H H 7.796 0.003 1
1307 122 125 GLU HA H 2.812 0.004 1
1308 122 125 GLU HB2 H 1.584 0.002 2
1309 122 125 GLU HB3 H 1.374 0.007 2
1310 122 125 GLU HG2 H 1.854 0.003 2
1311 122 125 GLU HG3 H 1.15 0.005 2
1312 122 125 GLU C C 175.226 0.2 1
1313 122 125 GLU CA C 57.391 0.038 1
1314 122 125 GLU CB C 29.06 0.025 1
1315 122 125 GLU CG C 36.859 0.043 1
1316 122 125 GLU N N 117.923 0.011 1
1317 123 126 ASN H H 7.053 0.003 1
1318 123 126 ASN HA H 4.555 0.005 1
1319 123 126 ASN HB2 H 2.808 0.002 2
1320 123 126 ASN HB3 H 2.595 0.005 2
1321 123 126 ASN HD21 H 6.794 0.002 1
1322 123 126 ASN HD22 H 7.429 0.001 1
1323 123 126 ASN C C 175.256 0.2 1
1324 123 126 ASN CA C 52.497 0.031 1
1325 123 126 ASN CB C 39.321 0.065 1
1326 123 126 ASN CG C 177.297 0.007 1
1327 123 126 ASN N N 113.859 0.075 1
1328 123 126 ASN ND2 N 112.477 0.001 1
1329 124 127 ALA H H 7.146 0.002 1
1330 124 127 ALA HA H 4.21 0.005 1
1331 124 127 ALA HB H 1.524 0.002 1
1332 124 127 ALA C C 177.726 0.2 1
1333 124 127 ALA CA C 52.484 0.067 1
1334 124 127 ALA CB C 20.52 0.074 1
1335 124 127 ALA N N 123.522 0.023 1
1336 125 128 ALA H H 8.555 0.001 1
1337 125 128 ALA HA H 4.058 0.002 1
1338 125 128 ALA HB H 1.504 0.001 1
1339 125 128 ALA C C 180.584 0.2 1
1340 125 128 ALA CA C 55.145 0.034 1
1341 125 128 ALA CB C 18.965 0.069 1
1342 125 128 ALA N N 123.915 0.009 1
1343 126 129 TRP H H 9.119 0.002 1
1344 126 129 TRP HA H 4.092 0.005 1
1345 126 129 TRP HB2 H 3.144 0.007 2
1346 126 129 TRP HB3 H 2.836 0.008 2
1347 126 129 TRP C C 174.32 0.2 1
1348 126 129 TRP CA C 59.568 0.019 1
1349 126 129 TRP CB C 26.453 0.078 1
1350 126 129 TRP N N 117.465 0.018 1
1351 127 130 PHE H H 5.753 0.002 1
1352 127 130 PHE HA H 2.84 0.002 1
1353 127 130 PHE HB2 H 2.692 0.001 2
1354 127 130 PHE HB3 H 0.998 0.003 2
1355 127 130 PHE C C 178.504 0.2 1
1356 127 130 PHE CA C 60.979 0.02 1
1357 127 130 PHE CB C 38.936 0.033 1
1358 127 130 PHE N N 124.383 0.022 1
1359 128 131 THR H H 7.68 0.002 1
1360 128 131 THR HA H 3.786 0.004 1
1361 128 131 THR HB H 4.14 0.004 1
1362 128 131 THR HG2 H 1.212 0.003 1
1363 128 131 THR C C 177.625 0.2 1
1364 128 131 THR CA C 65.441 0.066 1
1365 128 131 THR CB C 68.239 0.079 1
1366 128 131 THR CG2 C 21.921 0.121 1
1367 128 131 THR N N 112.785 0.015 1
1368 129 132 ALA H H 8.133 0.001 1
1369 129 132 ALA HA H 4.099 0.002 1
1370 129 132 ALA HB H 1.441 0.001 1
1371 129 132 ALA C C 179.536 0.2 1
1372 129 132 ALA CA C 54.531 0.019 1
1373 129 132 ALA CB C 18.163 0.004 1
1374 129 132 ALA N N 123.041 0.015 1
1375 130 133 LEU H H 7.178 0.002 1
1376 130 133 LEU HA H 4.17 0.005 1
1377 130 133 LEU HB2 H 1.562 0.004 2
1378 130 133 LEU HB3 H 1.372 0.003 2
1379 130 133 LEU HG H 1.996 0.004 1
1380 130 133 LEU HD1 H 0.677 0.007 2
1381 130 133 LEU HD2 H 0.804 0.002 2
1382 130 133 LEU C C 179.145 0.2 1
1383 130 133 LEU CA C 54.616 0.109 1
1384 130 133 LEU CB C 42.55 0.096 1
1385 130 133 LEU CG C 25.706 0.129 1
1386 130 133 LEU CD1 C 22.98 0.037 2
1387 130 133 LEU CD2 C 25.481 0.111 2
1388 130 133 LEU N N 115.566 0.009 1
1389 131 134 ALA H H 7.55 0.002 1
1390 131 134 ALA HA H 3.595 0.002 1
1391 131 134 ALA HB H 1.26 0.002 1
1392 131 134 ALA C C 177.749 0.2 1
1393 131 134 ALA CA C 56.46 0.046 1
1394 131 134 ALA CB C 18.627 0.089 1
1395 131 134 ALA N N 124.535 0.036 1
1396 132 135 ASN H H 8.251 0.001 1
1397 132 135 ASN HA H 4.494 0.002 1
1398 132 135 ASN HB2 H 2.823 0.003 1
1399 132 135 ASN HB3 H 2.823 0.003 1
1400 132 135 ASN HD21 H 6.84 0.002 1
1401 132 135 ASN HD22 H 7.493 0.002 1
1402 132 135 ASN C C 175.547 0.2 1
1403 132 135 ASN CA C 54.199 0.042 1
1404 132 135 ASN CB C 37.914 0.041 1
1405 132 135 ASN CG C 176.852 0.01 1
1406 132 135 ASN N N 111.233 0.007 1
1407 132 135 ASN ND2 N 111.801 0.001 1
1408 133 136 ARG H H 7.773 0.001 1
1409 133 136 ARG HA H 4.705 0.005 1
1410 133 136 ARG HB2 H 1.876 0.004 1
1411 133 136 ARG HB3 H 1.876 0.004 1
1412 133 136 ARG HG2 H 1.486 0.003 2
1413 133 136 ARG HG3 H 1.565 0.003 2
1414 133 136 ARG HD2 H 3.107 0.003 1
1415 133 136 ARG HD3 H 3.107 0.003 1
1416 133 136 ARG C C 174.054 0.2 1
1417 133 136 ARG CA C 55.019 0.09 1
1418 133 136 ARG CB C 31.587 0.044 1
1419 133 136 ARG CG C 25.98 0.05 1
1420 133 136 ARG CD C 44.187 0.06 1
1421 133 136 ARG N N 115.706 0.029 1
1422 134 137 SER H H 7.112 0.003 1
1423 134 137 SER HA H 5.427 0.003 1
1424 134 137 SER HB2 H 3.397 0.007 2
1425 134 137 SER HB3 H 3.241 0.005 2
1426 134 137 SER C C 173.475 0.2 1
1427 134 137 SER CA C 57.338 0.09 1
1428 134 137 SER CB C 67.08 0.058 1
1429 134 137 SER N N 111.172 0.011 1
1430 135 138 VAL H H 7.622 0.002 1
1431 135 138 VAL HA H 4.402 0.007 1
1432 135 138 VAL HB H 1.484 0.006 1
1433 135 138 VAL HG1 H 0.549 0.002 2
1434 135 138 VAL HG2 H 0.689 0.001 2
1435 135 138 VAL C C 173.939 0.2 1
1436 135 138 VAL CA C 60.552 0.053 1
1437 135 138 VAL CB C 34.683 0.027 1
1438 135 138 VAL CG1 C 21.171 0.061 2
1439 135 138 VAL CG2 C 21.151 0.034 2
1440 135 138 VAL N N 120.132 0.028 1
1441 136 139 GLN H H 9.182 0.007 1
1442 136 139 GLN HA H 5.291 0.007 1
1443 136 139 GLN HB2 H 2.094 0.002 2
1444 136 139 GLN HB3 H 2.039 0.001 2
1445 136 139 GLN HG2 H 2.261 0.006 2
1446 136 139 GLN HG3 H 2.094 0.002 2
1447 136 139 GLN HE21 H 7.024 0.002 1
1448 136 139 GLN HE22 H 6.83 0.002 1
1449 136 139 GLN C C 173.897 0.2 1
1450 136 139 GLN CA C 53.934 0.096 1
1451 136 139 GLN CB C 31.124 0.031 1
1452 136 139 GLN CG C 34.591 0.021 1
1453 136 139 GLN CD C 178.357 0.01 1
1454 136 139 GLN N N 127.054 0.043 1
1455 136 139 GLN NE2 N 109.169 0.001 1
1456 137 140 VAL H H 9.599 0.003 1
1457 137 140 VAL HA H 4.768 0.003 1
1458 137 140 VAL HB H 2.115 0.004 1
1459 137 140 VAL HG1 H 0.872 0.001 2
1460 137 140 VAL HG2 H 0.754 0.005 2
1461 137 140 VAL C C 175.929 0.2 1
1462 137 140 VAL CA C 59.888 0.071 1
1463 137 140 VAL CB C 32.793 0.064 1
1464 137 140 VAL CG1 C 22.513 0.054 2
1465 137 140 VAL CG2 C 21.476 0.015 2
1466 137 140 VAL N N 127.895 0.019 1
1467 138 141 THR HA H 4.655 0.005 1
1468 138 141 THR HB H 3.985 0.003 1
1469 138 141 THR HG2 H 1.324 0.004 1
1470 138 141 THR C C 174.623 0.2 1
1471 138 141 THR CA C 61.792 0.07 1
1472 138 141 THR CB C 68.866 0.183 1
1473 138 141 THR CG2 C 21.736 0.17 1
1474 139 142 CYS H H 8.474 0.003 1
1475 139 142 CYS HA H 4.56 0.005 1
1476 139 142 CYS HB2 H 2.42 0.007 2
1477 139 142 CYS HB3 H 2.649 0.002 2
1478 139 142 CYS C C 172.582 0.2 1
1479 139 142 CYS CA C 59.021 0.044 1
1480 139 142 CYS CB C 27.402 0.066 1
1481 139 142 CYS N N 128.581 0.023 1
1482 140 143 GLN H H 7.634 0.001 1
1483 140 143 GLN HA H 4.303 0.002 1
1484 140 143 GLN HB2 H 2.288 0.004 2
1485 140 143 GLN HB3 H 2.113 0.004 2
1486 140 143 GLN HG2 H 2.254 0.002 2
1487 140 143 GLN HG3 H 2.313 0.01 2
1488 140 143 GLN HE21 H 7.593 0.002 1
1489 140 143 GLN HE22 H 6.852 0.002 1
1490 140 143 GLN C C 179.29 0.2 1
1491 140 143 GLN CA C 57.325 0.048 1
1492 140 143 GLN CB C 31.349 0.051 1
1493 140 143 GLN CG C 33.708 0.036 1
1494 140 143 GLN CD C 180.46 0.011 1
1495 140 143 GLN N N 122.627 0.02 1
1496 140 143 GLN NE2 N 111.72 0.006 1
stop_
save_