data_17576
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C, and 15N assignments of wild-type gamma-S crystallin
;
_BMRB_accession_number 17576
_BMRB_flat_file_name bmr17576.str
_Entry_type original
_Submission_date 2011-04-06
_Accession_date 2011-04-06
_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 Brubaker William D. .
2 Martin Rachel W. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 963
"13C chemical shifts" 727
"15N chemical shifts" 183
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-05-12 original author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
17582 'cataract-related variant (gamma)S-G18V'
stop_
_Original_release_date 2011-05-12
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Separating instability from aggregation propensity in S-crystallin variants.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 21244846
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Brubaker William D. .
2 Freites 'J. Alfredo' . .
3 Golchert Kory J. .
4 Shapiro Rebecca A. .
5 Morikis Vasilios . .
6 Tobias Douglas J. .
7 Martin Rachel W. .
stop_
_Journal_abbreviation 'Biophys. J.'
_Journal_name_full 'Biophysical journal'
_Journal_volume 100
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 498
_Page_last 506
_Year 2011
_Details .
loop_
_Keyword
cataract
crystallin
'eye lens'
'protein aggregation'
'protein stability'
stop_
save_
#######################################
# Cited references within the entry #
#######################################
save_biophysical_characterization
_Saveframe_category citation
_Citation_full .
_Citation_title 'Separating instability from aggregation propensity in (gamma)S-crystallin variants.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 21244846
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Brubaker William D. .
2 Freites J. Alfredo .
3 Golchert Kory J. .
4 Shapiro Rebecca A. .
5 Morikis Vasilios . .
6 Tobias Douglas J. .
7 Martin Rachel W. .
stop_
_Journal_abbreviation 'Biophys. J.'
_Journal_name_full .
_Journal_volume 100
_Journal_issue 2
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first 498
_Page_last 506
_Year 2011
_Details .
loop_
_Keyword
cataract
crystallin
'eye lens'
'protein aggregation'
'protein stability'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name gamma-S-WT
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
gamma-S-WT $gamma-S-WT
stop_
_System_molecular_weight 21000
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_gamma-S-WT
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common gamma-S-WT
_Molecular_mass 20932.6
_Mol_thiol_state 'all free'
loop_
_Biological_function
'Maintain solubility and stability over many years in the eye lens. Structural protein.'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 178
_Mol_residue_sequence
;
GSKTGTKITFYEDKNFQGRR
YDCDCDCADFHTYLSRCNSI
KVEGGTWAVYERPNFAGYMY
ILPQGEYPEYQRWMGLNDRL
SSCRAVHLPSGGQYKIQIFE
KGDFSGQMYETTEDCPSIME
QFHMREIHSCKVLEGVWIFY
ELPNYRGRQYLLDKKEYRKP
IDWGAASPAVQSFRRIVE
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 LYS 4 THR 5 GLY
6 THR 7 LYS 8 ILE 9 THR 10 PHE
11 TYR 12 GLU 13 ASP 14 LYS 15 ASN
16 PHE 17 GLN 18 GLY 19 ARG 20 ARG
21 TYR 22 ASP 23 CYS 24 ASP 25 CYS
26 ASP 27 CYS 28 ALA 29 ASP 30 PHE
31 HIS 32 THR 33 TYR 34 LEU 35 SER
36 ARG 37 CYS 38 ASN 39 SER 40 ILE
41 LYS 42 VAL 43 GLU 44 GLY 45 GLY
46 THR 47 TRP 48 ALA 49 VAL 50 TYR
51 GLU 52 ARG 53 PRO 54 ASN 55 PHE
56 ALA 57 GLY 58 TYR 59 MET 60 TYR
61 ILE 62 LEU 63 PRO 64 GLN 65 GLY
66 GLU 67 TYR 68 PRO 69 GLU 70 TYR
71 GLN 72 ARG 73 TRP 74 MET 75 GLY
76 LEU 77 ASN 78 ASP 79 ARG 80 LEU
81 SER 82 SER 83 CYS 84 ARG 85 ALA
86 VAL 87 HIS 88 LEU 89 PRO 90 SER
91 GLY 92 GLY 93 GLN 94 TYR 95 LYS
96 ILE 97 GLN 98 ILE 99 PHE 100 GLU
101 LYS 102 GLY 103 ASP 104 PHE 105 SER
106 GLY 107 GLN 108 MET 109 TYR 110 GLU
111 THR 112 THR 113 GLU 114 ASP 115 CYS
116 PRO 117 SER 118 ILE 119 MET 120 GLU
121 GLN 122 PHE 123 HIS 124 MET 125 ARG
126 GLU 127 ILE 128 HIS 129 SER 130 CYS
131 LYS 132 VAL 133 LEU 134 GLU 135 GLY
136 VAL 137 TRP 138 ILE 139 PHE 140 TYR
141 GLU 142 LEU 143 PRO 144 ASN 145 TYR
146 ARG 147 GLY 148 ARG 149 GLN 150 TYR
151 LEU 152 LEU 153 ASP 154 LYS 155 LYS
156 GLU 157 TYR 158 ARG 159 LYS 160 PRO
161 ILE 162 ASP 163 TRP 164 GLY 165 ALA
166 ALA 167 SER 168 PRO 169 ALA 170 VAL
171 GLN 172 SER 173 PHE 174 ARG 175 ARG
176 ILE 177 VAL 178 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
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
BMRB 17582 gamma-S-G18V 100.00 178 99.44 99.44 1.90e-129
PDB 2M3T "Solution-state Nmr Structure Of Wild-type Human Gamma(s)-crystallin" 100.00 178 100.00 100.00 1.40e-130
PDB 2M3U "Solution-state Nmr Structure Of Cataract-related Human Gamma(s)- Crystallin Point Variant G18v" 100.00 178 99.44 99.44 1.90e-129
DBJ BAG36855 "unnamed protein product [Homo sapiens]" 99.44 178 100.00 100.00 7.08e-130
GB AAD45901 "gammaS-crystallin [Homo sapiens]" 99.44 178 100.00 100.00 7.08e-130
GB AAF72490 "gammaS-crystallin [Homo sapiens]" 99.44 178 100.00 100.00 7.08e-130
GB AAH69478 "Crystallin, gamma S [Homo sapiens]" 99.44 178 100.00 100.00 7.08e-130
GB AAH70241 "Crystallin, gamma S [Homo sapiens]" 99.44 178 100.00 100.00 7.08e-130
GB ADQ32938 "crystallin, gamma S [synthetic construct]" 99.44 178 100.00 100.00 7.08e-130
REF NP_060011 "beta-crystallin S [Homo sapiens]" 99.44 178 100.00 100.00 7.08e-130
REF XP_001092090 "PREDICTED: beta-crystallin S isoform 1 [Macaca mulatta]" 99.44 178 98.87 99.44 1.18e-128
REF XP_002758251 "PREDICTED: beta-crystallin S isoform X1 [Callithrix jacchus]" 99.44 178 98.31 100.00 1.23e-128
REF XP_003256655 "PREDICTED: beta-crystallin S [Nomascus leucogenys]" 99.44 178 98.87 99.44 2.59e-128
REF XP_003894751 "PREDICTED: beta-crystallin S [Papio anubis]" 99.44 178 98.87 99.44 1.18e-128
SP P22914 "RecName: Full=Beta-crystallin S; AltName: Full=Gamma-S-crystallin; AltName: Full=Gamma-crystallin S" 99.44 178 100.00 100.00 7.08e-130
stop_
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
_Details
$gamma-S-WT Human 9606 Eukaryota Metazoa Homo sapiens CRYGS 'Human gamma-S crystallin, wild-type'
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
$gamma-S-WT 'recombinant technology' . Escherichia coli 'Rosetta (DE3)' pET28a(+)
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_gs-WT
_Saveframe_category sample
_Sample_type solution
_Details 'pH 4.5 acetate buffer'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$gamma-S-WT 2.11 mM '[U-100% 13C; U-100% 15N]'
'acetic acid' 10 mM 'natural abundance'
'sodium azide' 0.05 % 'natural abundance'
D2O 10 % [U-2H]
TSP 2 mM [2,2,3,3-d4]
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version .
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
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_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
'peak picking'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_UC_Irvine_800
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_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 $gs-WT
save_
save_2D_1H-13C_HSQC_aliphatic_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aliphatic'
_Sample_label $gs-WT
save_
save_2D_1H-13C_HSQC_aromatic_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aromatic'
_Sample_label $gs-WT
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $gs-WT
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $gs-WT
save_
save_3D_CBCA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $gs-WT
save_
save_3D_HCCH-COSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY'
_Sample_label $gs-WT
save_
save_3D_HCCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $gs-WT
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $gs-WT
save_
save_3D_1H-13C_NOESY_aliphatic_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $gs-WT
save_
save_3D_1H-13C_NOESY_aromatic_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $gs-WT
save_
save_NMR_spectrometer_expt
_Saveframe_category NMR_applied_experiment
_Experiment_name .
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 4.5 . pH
pressure 1 . atm
temperature 273 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_TMSP
_Saveframe_category chemical_shift_reference
_Details 'Chemical shifts were referenced to TMSP'
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
TSP C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530
TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
TSP 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_wt_assignments_primary
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
'2D 1H-13C HSQC aromatic'
'3D HNCO'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D HCCH-COSY'
'3D HCCH-TOCSY'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY aliphatic'
'3D 1H-13C NOESY aromatic'
stop_
loop_
_Sample_label
$gs-WT
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $TMSP
_Mol_system_component_name gamma-S-WT
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 GLY HA2 H 3.901 0.002 2
2 1 1 GLY C C 170.266 0.000 1
3 1 1 GLY CA C 43.359 0.015 1
4 2 2 SER H H 8.721 0.003 1
5 2 2 SER HA H 4.529 0.003 1
6 2 2 SER HB2 H 3.891 0.009 2
7 2 2 SER HB3 H 3.858 0.010 2
8 2 2 SER C C 174.750 0.000 1
9 2 2 SER CA C 58.309 0.043 1
10 2 2 SER CB C 64.002 0.046 1
11 2 2 SER N N 115.838 0.002 1
12 3 3 LYS H H 8.682 0.004 1
13 3 3 LYS HA H 4.440 0.004 1
14 3 3 LYS HB2 H 1.909 0.005 2
15 3 3 LYS HB3 H 1.801 0.006 2
16 3 3 LYS HG2 H 1.478 0.008 2
17 3 3 LYS HG3 H 1.441 0.006 2
18 3 3 LYS HD2 H 1.691 0.005 2
19 3 3 LYS HE2 H 3.000 0.003 2
20 3 3 LYS C C 176.970 0.000 1
21 3 3 LYS CA C 56.690 0.036 1
22 3 3 LYS CB C 32.962 0.026 1
23 3 3 LYS CG C 24.787 0.029 1
24 3 3 LYS CD C 29.080 0.018 1
25 3 3 LYS CE C 42.151 0.025 1
26 3 3 LYS N N 123.662 0.008 1
27 4 4 THR H H 8.227 0.002 1
28 4 4 THR HA H 4.373 0.004 1
29 4 4 THR HB H 4.295 0.005 1
30 4 4 THR HG2 H 1.219 0.004 1
31 4 4 THR C C 175.054 0.000 1
32 4 4 THR CA C 61.819 0.058 1
33 4 4 THR CB C 69.885 0.070 1
34 4 4 THR CG2 C 21.674 0.028 1
35 4 4 THR N N 114.286 0.006 1
36 5 5 GLY H H 8.321 0.017 1
37 5 5 GLY HA2 H 4.001 0.003 2
38 5 5 GLY C C 173.427 0.000 1
39 5 5 GLY CA C 45.166 0.016 1
40 5 5 GLY N N 110.919 0.026 1
41 6 6 THR H H 8.127 0.002 1
42 6 6 THR HA H 4.536 0.005 1
43 6 6 THR HB H 4.085 0.004 1
44 6 6 THR HG2 H 1.000 0.004 1
45 6 6 THR C C 173.468 0.000 1
46 6 6 THR CA C 60.030 0.045 1
47 6 6 THR CB C 69.884 0.044 1
48 6 6 THR CG2 C 20.666 0.060 1
49 6 6 THR N N 114.221 0.010 1
50 7 7 LYS H H 8.602 0.004 1
51 7 7 LYS HA H 5.003 0.007 1
52 7 7 LYS HB2 H 1.728 0.005 2
53 7 7 LYS HB3 H 1.642 0.005 2
54 7 7 LYS HG2 H 1.209 0.006 2
55 7 7 LYS HG3 H 1.169 0.002 2
56 7 7 LYS HD2 H 1.484 0.010 2
57 7 7 LYS HD3 H 1.444 0.004 2
58 7 7 LYS HE2 H 2.729 0.008 2
59 7 7 LYS HE3 H 2.688 0.003 2
60 7 7 LYS C C 172.244 0.000 1
61 7 7 LYS CA C 56.559 0.060 1
62 7 7 LYS CB C 36.007 0.075 1
63 7 7 LYS CG C 24.317 0.010 1
64 7 7 LYS CD C 29.256 0.055 1
65 7 7 LYS CE C 41.836 0.016 1
66 7 7 LYS N N 125.360 0.029 1
67 8 8 ILE H H 8.465 0.003 1
68 8 8 ILE HA H 4.494 0.005 1
69 8 8 ILE HB H -0.364 0.006 1
70 8 8 ILE HG12 H 0.532 0.005 2
71 8 8 ILE HG13 H -0.775 0.009 2
72 8 8 ILE HG2 H -0.552 0.004 1
73 8 8 ILE HD1 H -0.071 0.009 1
74 8 8 ILE C C 171.130 0.000 1
75 8 8 ILE CA C 59.167 0.091 1
76 8 8 ILE CB C 41.279 0.038 1
77 8 8 ILE CG1 C 27.853 0.055 1
78 8 8 ILE CG2 C 13.842 0.066 1
79 8 8 ILE CD1 C 15.395 0.014 1
80 8 8 ILE N N 125.241 0.033 1
81 9 9 THR H H 8.360 0.003 1
82 9 9 THR HA H 4.611 0.003 1
83 9 9 THR HB H 3.524 0.006 1
84 9 9 THR HG2 H 0.550 0.003 1
85 9 9 THR C C 171.775 0.000 1
86 9 9 THR CA C 61.418 0.060 1
87 9 9 THR CB C 71.111 0.051 1
88 9 9 THR CG2 C 21.844 0.025 1
89 9 9 THR N N 121.782 0.029 1
90 10 10 PHE H H 8.698 0.003 1
91 10 10 PHE HA H 4.639 0.006 1
92 10 10 PHE HB2 H 3.169 0.004 2
93 10 10 PHE HB3 H 2.569 0.006 2
94 10 10 PHE HD1 H 6.548 0.010 3
95 10 10 PHE HE1 H 7.070 0.006 3
96 10 10 PHE HZ H 6.863 0.005 1
97 10 10 PHE C C 174.252 0.000 1
98 10 10 PHE CA C 56.627 0.076 1
99 10 10 PHE CB C 42.388 0.032 1
100 10 10 PHE CD1 C 131.975 0.029 3
101 10 10 PHE CE1 C 132.016 0.024 3
102 10 10 PHE CZ C 130.630 0.010 1
103 10 10 PHE N N 125.138 0.023 1
104 11 11 TYR H H 9.016 0.002 1
105 11 11 TYR HA H 5.459 0.007 1
106 11 11 TYR HB2 H 3.403 0.008 2
107 11 11 TYR HB3 H 3.217 0.007 2
108 11 11 TYR HD1 H 6.748 0.005 3
109 11 11 TYR HE1 H 7.055 0.000 3
110 11 11 TYR C C 178.065 0.000 1
111 11 11 TYR CA C 56.805 0.075 1
112 11 11 TYR CB C 39.687 0.066 1
113 11 11 TYR CD1 C 134.022 0.056 3
114 11 11 TYR N N 117.862 0.017 1
115 12 12 GLU H H 9.206 0.004 1
116 12 12 GLU HA H 4.698 0.008 1
117 12 12 GLU HB2 H 2.226 0.005 2
118 12 12 GLU HB3 H 2.128 0.008 2
119 12 12 GLU HG2 H 2.798 0.005 2
120 12 12 GLU HG3 H 2.744 0.006 2
121 12 12 GLU C C 176.716 0.000 1
122 12 12 GLU CA C 59.013 0.066 1
123 12 12 GLU CB C 31.728 0.056 1
124 12 12 GLU CG C 38.444 0.015 1
125 12 12 GLU N N 120.750 0.019 1
126 13 13 ASP H H 8.062 0.002 1
127 13 13 ASP HA H 5.402 0.005 1
128 13 13 ASP HB2 H 2.778 0.004 2
129 13 13 ASP HB3 H 2.340 0.004 2
130 13 13 ASP C C 175.638 0.000 1
131 13 13 ASP CA C 52.616 0.034 1
132 13 13 ASP CB C 43.876 0.053 1
133 13 13 ASP N N 115.057 0.021 1
134 14 14 LYS H H 8.584 0.002 1
135 14 14 LYS HA H 3.873 0.007 1
136 14 14 LYS HB2 H 1.826 0.007 2
137 14 14 LYS HB3 H 1.704 0.010 2
138 14 14 LYS HG2 H 1.749 0.008 2
139 14 14 LYS HG3 H 1.473 0.005 2
140 14 14 LYS HD2 H 1.651 0.013 2
141 14 14 LYS HE2 H 2.982 0.003 2
142 14 14 LYS C C 176.918 0.000 1
143 14 14 LYS CA C 56.894 0.047 1
144 14 14 LYS CB C 33.945 0.021 1
145 14 14 LYS CG C 26.423 0.010 1
146 14 14 LYS CD C 29.693 0.034 1
147 14 14 LYS CE C 41.721 0.000 1
148 14 14 LYS N N 118.029 0.014 1
149 15 15 ASN H H 9.273 0.005 1
150 15 15 ASN HA H 3.171 0.005 1
151 15 15 ASN HB2 H 2.821 0.004 2
152 15 15 ASN HB3 H 2.537 0.006 2
153 15 15 ASN HD21 H 7.516 0.003 2
154 15 15 ASN HD22 H 6.790 0.002 2
155 15 15 ASN C C 173.552 0.000 1
156 15 15 ASN CA C 54.432 0.057 1
157 15 15 ASN CB C 36.725 0.074 1
158 15 15 ASN CG C 177.808 0.008 1
159 15 15 ASN N N 113.159 0.020 1
160 15 15 ASN ND2 N 112.856 0.013 1
161 16 16 PHE H H 8.002 0.003 1
162 16 16 PHE HA H 2.851 0.006 1
163 16 16 PHE HB2 H 2.962 0.008 2
164 16 16 PHE HB3 H 2.011 0.008 2
165 16 16 PHE HD1 H 6.778 0.002 3
166 16 16 PHE HE1 H 7.277 0.006 3
167 16 16 PHE HZ H 6.901 0.005 1
168 16 16 PHE C C 174.673 0.000 1
169 16 16 PHE CA C 55.946 0.058 1
170 16 16 PHE CB C 34.880 0.078 1
171 16 16 PHE CD1 C 131.748 0.036 3
172 16 16 PHE CE1 C 131.552 0.025 3
173 16 16 PHE CZ C 127.954 0.014 1
174 16 16 PHE N N 112.352 0.016 1
175 17 17 GLN H H 6.266 0.002 1
176 17 17 GLN HA H 4.635 0.006 1
177 17 17 GLN HB2 H 2.281 0.005 2
178 17 17 GLN HB3 H 1.790 0.007 2
179 17 17 GLN HG2 H 2.349 0.006 2
180 17 17 GLN HG3 H 2.282 0.003 2
181 17 17 GLN HE21 H 7.217 0.003 2
182 17 17 GLN HE22 H 6.917 0.002 2
183 17 17 GLN C C 174.400 0.000 1
184 17 17 GLN CA C 53.561 0.063 1
185 17 17 GLN CB C 31.984 0.089 1
186 17 17 GLN CG C 33.608 0.062 1
187 17 17 GLN CD C 180.957 0.011 1
188 17 17 GLN N N 116.723 0.025 1
189 17 17 GLN NE2 N 113.109 0.006 1
190 18 18 GLY H H 8.382 0.003 1
191 18 18 GLY HA2 H 4.504 0.009 2
192 18 18 GLY HA3 H 3.836 0.004 2
193 18 18 GLY C C 174.539 0.000 1
194 18 18 GLY CA C 44.281 0.049 1
195 18 18 GLY N N 105.292 0.028 1
196 19 19 ARG H H 8.514 0.003 1
197 19 19 ARG HA H 4.195 0.004 1
198 19 19 ARG HB2 H 1.857 0.010 2
199 19 19 ARG HB3 H 1.768 0.006 2
200 19 19 ARG HG2 H 1.926 0.006 2
201 19 19 ARG HG3 H 1.773 0.004 2
202 19 19 ARG HD2 H 3.352 0.004 2
203 19 19 ARG HE H 7.325 0.004 1
204 19 19 ARG C C 173.782 0.000 1
205 19 19 ARG CA C 58.118 0.054 1
206 19 19 ARG CB C 31.210 0.059 1
207 19 19 ARG CG C 27.711 0.067 1
208 19 19 ARG CD C 44.148 0.019 1
209 19 19 ARG N N 119.582 0.013 1
210 19 19 ARG NE N 84.787 0.006 1
211 20 20 ARG H H 8.191 0.003 1
212 20 20 ARG HA H 5.719 0.005 1
213 20 20 ARG HB2 H 1.367 0.006 2
214 20 20 ARG HB3 H 1.218 0.007 2
215 20 20 ARG HG2 H 1.464 0.008 2
216 20 20 ARG HG3 H 1.115 0.008 2
217 20 20 ARG HD2 H 3.075 0.005 2
218 20 20 ARG HD3 H 2.995 0.008 2
219 20 20 ARG HE H 7.614 0.005 1
220 20 20 ARG C C 175.566 0.000 1
221 20 20 ARG CA C 53.087 0.024 1
222 20 20 ARG CB C 34.926 0.039 1
223 20 20 ARG CG C 25.345 0.061 1
224 20 20 ARG CD C 43.682 0.083 1
225 20 20 ARG N N 118.306 0.015 1
226 20 20 ARG NE N 85.679 0.017 1
227 21 21 TYR H H 8.934 0.003 1
228 21 21 TYR HA H 4.643 0.006 1
229 21 21 TYR HB2 H 2.796 0.009 2
230 21 21 TYR HB3 H 2.400 0.010 2
231 21 21 TYR HD1 H 6.542 0.008 3
232 21 21 TYR HE1 H 6.344 0.008 3
233 21 21 TYR C C 172.559 0.000 1
234 21 21 TYR CA C 58.075 0.091 1
235 21 21 TYR CB C 42.595 0.048 1
236 21 21 TYR CD1 C 132.000 0.012 3
237 21 21 TYR CE1 C 118.799 0.023 3
238 21 21 TYR N N 122.944 0.028 1
239 22 22 ASP H H 7.545 0.003 1
240 22 22 ASP HA H 5.012 0.004 1
241 22 22 ASP HB2 H 2.187 0.004 2
242 22 22 ASP C C 173.825 0.000 1
243 22 22 ASP CA C 52.745 0.057 1
244 22 22 ASP CB C 43.912 0.049 1
245 22 22 ASP N N 126.637 0.009 1
246 23 23 CYS H H 8.747 0.003 1
247 23 23 CYS HA H 4.578 0.004 1
248 23 23 CYS HB2 H 3.044 0.006 2
249 23 23 CYS HB3 H 2.460 0.004 2
250 23 23 CYS C C 172.804 0.000 1
251 23 23 CYS CA C 58.171 0.046 1
252 23 23 CYS CB C 30.105 0.056 1
253 23 23 CYS N N 118.647 0.019 1
254 24 24 ASP H H 8.566 0.003 1
255 24 24 ASP HA H 5.274 0.005 1
256 24 24 ASP HB2 H 3.270 0.005 2
257 24 24 ASP HB3 H 2.566 0.006 2
258 24 24 ASP C C 175.333 0.000 1
259 24 24 ASP CA C 52.678 0.053 1
260 24 24 ASP CB C 41.670 0.053 1
261 24 24 ASP N N 122.458 0.029 1
262 25 25 CYS H H 8.269 0.002 1
263 25 25 CYS HA H 4.931 0.003 1
264 25 25 CYS HB2 H 3.266 0.007 2
265 25 25 CYS HB3 H 3.154 0.008 2
266 25 25 CYS C C 171.740 0.000 1
267 25 25 CYS CA C 55.820 0.036 1
268 25 25 CYS CB C 30.204 0.061 1
269 25 25 CYS N N 115.735 0.030 1
270 26 26 ASP H H 8.167 0.004 1
271 26 26 ASP HA H 4.892 0.007 1
272 26 26 ASP HB2 H 2.888 0.006 2
273 26 26 ASP C C 176.512 0.000 1
274 26 26 ASP CA C 56.195 0.080 1
275 26 26 ASP CB C 40.520 0.055 1
276 26 26 ASP N N 118.339 0.012 1
277 27 27 CYS H H 9.466 0.003 1
278 27 27 CYS HA H 5.016 0.004 1
279 27 27 CYS HB2 H 3.455 0.014 2
280 27 27 CYS C C 173.989 0.000 1
281 27 27 CYS CA C 58.775 0.073 1
282 27 27 CYS CB C 29.709 0.042 1
283 27 27 CYS N N 123.076 0.013 1
284 28 28 ALA H H 9.245 0.003 1
285 28 28 ALA HA H 3.664 0.005 1
286 28 28 ALA HB H 1.390 0.004 1
287 28 28 ALA C C 176.180 0.000 1
288 28 28 ALA CA C 54.256 0.042 1
289 28 28 ALA CB C 18.769 0.063 1
290 28 28 ALA N N 130.729 0.016 1
291 29 29 ASP H H 7.629 0.003 1
292 29 29 ASP HA H 4.879 0.006 1
293 29 29 ASP HB2 H 3.008 0.009 2
294 29 29 ASP HB3 H 2.675 0.008 2
295 29 29 ASP C C 176.107 0.000 1
296 29 29 ASP CA C 54.615 0.074 1
297 29 29 ASP CB C 40.748 0.058 1
298 29 29 ASP N N 113.144 0.015 1
299 30 30 PHE H H 8.627 0.004 1
300 30 30 PHE HA H 5.062 0.007 1
301 30 30 PHE HB2 H 2.913 0.006 2
302 30 30 PHE HB3 H 2.712 0.004 2
303 30 30 PHE HD1 H 6.864 0.008 3
304 30 30 PHE HE1 H 6.385 0.001 3
305 30 30 PHE HZ H 5.783 0.002 1
306 30 30 PHE C C 177.676 0.000 1
307 30 30 PHE CA C 55.879 0.083 1
308 30 30 PHE CB C 37.568 0.045 1
309 30 30 PHE CD1 C 130.637 0.001 3
310 30 30 PHE CE1 C 130.373 0.069 3
311 30 30 PHE CZ C 128.361 0.007 1
312 30 30 PHE N N 124.001 0.027 1
313 31 31 HIS H H 8.747 0.003 1
314 31 31 HIS HA H 4.867 0.009 1
315 31 31 HIS HB2 H 3.564 0.005 2
316 31 31 HIS HB3 H 3.087 0.007 2
317 31 31 HIS HD2 H 7.129 0.003 1
318 31 31 HIS HE1 H 8.441 0.002 1
319 31 31 HIS C C 175.203 0.000 1
320 31 31 HIS CA C 58.929 0.057 1
321 31 31 HIS CB C 27.263 0.045 1
322 31 31 HIS CD2 C 120.485 0.022 1
323 31 31 HIS CE1 C 136.137 0.064 1
324 31 31 HIS N N 122.425 0.038 1
325 32 32 THR H H 7.634 0.003 1
326 32 32 THR HA H 3.662 0.007 1
327 32 32 THR HB H 3.621 0.007 1
328 32 32 THR HG2 H 0.550 0.003 1
329 32 32 THR C C 174.514 0.000 1
330 32 32 THR CA C 63.466 0.071 1
331 32 32 THR CB C 67.970 0.095 1
332 32 32 THR CG2 C 21.104 0.017 1
333 32 32 THR N N 110.533 0.017 1
334 33 33 TYR H H 7.277 0.005 1
335 33 33 TYR HA H 4.428 0.006 1
336 33 33 TYR HB2 H 3.105 0.005 2
337 33 33 TYR HB3 H 2.249 0.004 2
338 33 33 TYR HD1 H 6.756 0.004 3
339 33 33 TYR C C 174.864 0.000 1
340 33 33 TYR CA C 58.189 0.040 1
341 33 33 TYR CB C 39.657 0.062 1
342 33 33 TYR CD1 C 132.905 0.022 3
343 33 33 TYR N N 119.703 0.017 1
344 34 34 LEU H H 7.318 0.003 1
345 34 34 LEU HA H 4.611 0.006 1
346 34 34 LEU HB2 H 1.879 0.006 2
347 34 34 LEU HB3 H 1.298 0.006 2
348 34 34 LEU HG H 1.707 0.007 1
349 34 34 LEU HD1 H 0.874 0.005 2
350 34 34 LEU HD2 H 0.788 0.006 2
351 34 34 LEU C C 175.915 0.000 1
352 34 34 LEU CA C 55.094 0.086 1
353 34 34 LEU CB C 45.609 0.050 1
354 34 34 LEU CG C 26.906 0.044 1
355 34 34 LEU CD1 C 26.536 0.054 2
356 34 34 LEU CD2 C 27.221 0.065 2
357 34 34 LEU N N 118.536 0.027 1
358 35 35 SER H H 9.604 0.004 1
359 35 35 SER HA H 4.499 0.005 1
360 35 35 SER HB2 H 3.956 0.004 2
361 35 35 SER C C 173.286 0.000 1
362 35 35 SER CA C 60.025 0.034 1
363 35 35 SER CB C 64.418 0.044 1
364 35 35 SER N N 120.816 0.026 1
365 36 36 ARG H H 7.959 0.003 1
366 36 36 ARG HA H 4.790 0.005 1
367 36 36 ARG HB2 H 2.069 0.009 2
368 36 36 ARG HB3 H 1.758 0.012 2
369 36 36 ARG HG2 H 1.786 0.007 2
370 36 36 ARG HG3 H 1.565 0.009 2
371 36 36 ARG HD2 H 3.238 0.005 2
372 36 36 ARG HD3 H 3.140 0.006 2
373 36 36 ARG HE H 6.781 0.005 1
374 36 36 ARG C C 172.984 0.000 1
375 36 36 ARG CA C 54.786 0.074 1
376 36 36 ARG CB C 31.060 0.071 1
377 36 36 ARG CG C 25.406 0.077 1
378 36 36 ARG CD C 43.615 0.028 1
379 36 36 ARG N N 117.501 0.014 1
380 36 36 ARG NE N 84.527 0.008 1
381 37 37 CYS H H 9.784 0.003 1
382 37 37 CYS HA H 5.316 0.005 1
383 37 37 CYS HB2 H 2.750 0.006 2
384 37 37 CYS HB3 H 2.627 0.010 2
385 37 37 CYS C C 172.591 0.000 1
386 37 37 CYS CA C 58.460 0.063 1
387 37 37 CYS CB C 28.854 0.032 1
388 37 37 CYS N N 117.882 0.013 1
389 38 38 ASN H H 8.499 0.003 1
390 38 38 ASN HA H 5.291 0.005 1
391 38 38 ASN HB2 H 2.772 0.007 2
392 38 38 ASN HB3 H 2.335 0.007 2
393 38 38 ASN HD21 H 8.548 0.005 2
394 38 38 ASN HD22 H 8.162 0.003 2
395 38 38 ASN C C 173.637 0.000 1
396 38 38 ASN CA C 53.349 0.067 1
397 38 38 ASN CB C 43.679 0.061 1
398 38 38 ASN CG C 178.624 0.002 1
399 38 38 ASN N N 121.815 0.024 1
400 38 38 ASN ND2 N 116.254 0.055 1
401 39 39 SER H H 8.397 0.002 1
402 39 39 SER HA H 5.011 0.005 1
403 39 39 SER HB2 H 4.320 0.008 2
404 39 39 SER HB3 H 3.839 0.007 2
405 39 39 SER C C 172.857 0.000 1
406 39 39 SER CA C 60.065 0.086 1
407 39 39 SER CB C 64.672 0.050 1
408 39 39 SER N N 108.830 0.016 1
409 40 40 ILE H H 9.095 0.004 1
410 40 40 ILE HA H 5.381 0.007 1
411 40 40 ILE HB H 1.185 0.004 1
412 40 40 ILE HG12 H 1.403 0.005 2
413 40 40 ILE HG13 H 0.714 0.008 2
414 40 40 ILE HG2 H 0.254 0.004 1
415 40 40 ILE HD1 H -0.581 0.005 1
416 40 40 ILE C C 176.078 0.000 1
417 40 40 ILE CA C 60.749 0.064 1
418 40 40 ILE CB C 45.450 0.076 1
419 40 40 ILE CG1 C 30.505 0.034 1
420 40 40 ILE CG2 C 18.297 0.053 1
421 40 40 ILE CD1 C 12.544 0.061 1
422 40 40 ILE N N 119.031 0.026 1
423 41 41 LYS H H 9.041 0.004 1
424 41 41 LYS HA H 4.996 0.005 1
425 41 41 LYS HB2 H 1.738 0.005 2
426 41 41 LYS HB3 H 1.677 0.014 2
427 41 41 LYS HG2 H 1.294 0.006 2
428 41 41 LYS HG3 H 0.803 0.007 2
429 41 41 LYS HD2 H 1.454 0.006 2
430 41 41 LYS HD3 H 1.361 0.008 2
431 41 41 LYS HE2 H 1.953 0.005 2
432 41 41 LYS HE3 H 1.696 0.009 2
433 41 41 LYS C C 174.481 0.000 1
434 41 41 LYS CA C 56.802 0.056 1
435 41 41 LYS CB C 36.017 0.024 1
436 41 41 LYS CG C 27.353 0.062 1
437 41 41 LYS CD C 29.402 0.041 1
438 41 41 LYS CE C 41.090 0.057 1
439 41 41 LYS N N 125.051 0.039 1
440 42 42 VAL H H 9.326 0.003 1
441 42 42 VAL HA H 4.239 0.008 1
442 42 42 VAL HB H 2.479 0.007 1
443 42 42 VAL HG1 H 1.087 0.005 2
444 42 42 VAL HG2 H 0.716 0.006 2
445 42 42 VAL C C 176.337 0.000 1
446 42 42 VAL CA C 62.396 0.091 1
447 42 42 VAL CB C 33.039 0.018 1
448 42 42 VAL CG1 C 23.821 0.038 2
449 42 42 VAL CG2 C 21.909 0.022 2
450 42 42 VAL N N 125.747 0.012 1
451 43 43 GLU H H 8.548 0.004 1
452 43 43 GLU HA H 4.494 0.006 1
453 43 43 GLU HB2 H 2.057 0.004 2
454 43 43 GLU HB3 H 1.900 0.011 2
455 43 43 GLU HG2 H 2.217 0.008 2
456 43 43 GLU HG3 H 2.153 0.007 2
457 43 43 GLU C C 177.150 0.000 1
458 43 43 GLU CA C 57.063 0.049 1
459 43 43 GLU CB C 31.229 0.082 1
460 43 43 GLU CG C 35.989 0.017 1
461 43 43 GLU N N 127.961 0.028 1
462 44 44 GLY H H 8.440 0.010 1
463 44 44 GLY HA2 H 4.235 0.006 2
464 44 44 GLY HA3 H 4.086 0.007 2
465 44 44 GLY C C 172.953 0.000 1
466 44 44 GLY CA C 46.684 0.063 1
467 44 44 GLY N N 108.237 0.057 1
468 45 45 GLY H H 8.101 0.002 1
469 45 45 GLY HA2 H 4.088 0.006 2
470 45 45 GLY HA3 H 3.846 0.007 2
471 45 45 GLY C C 170.047 0.000 1
472 45 45 GLY CA C 44.533 0.087 1
473 45 45 GLY N N 111.239 0.015 1
474 46 46 THR H H 8.050 0.007 1
475 46 46 THR HA H 4.865 0.006 1
476 46 46 THR HB H 3.649 0.006 1
477 46 46 THR HG2 H 0.901 0.004 1
478 46 46 THR C C 173.761 0.000 1
479 46 46 THR CA C 62.245 0.068 1
480 46 46 THR CB C 69.820 0.070 1
481 46 46 THR CG2 C 22.171 0.059 1
482 46 46 THR N N 113.433 0.016 1
483 47 47 TRP H H 8.578 0.003 1
484 47 47 TRP HA H 4.834 0.007 1
485 47 47 TRP HB2 H 2.935 0.007 2
486 47 47 TRP HB3 H 2.669 0.008 2
487 47 47 TRP HD1 H 6.967 0.002 1
488 47 47 TRP HE1 H 9.472 0.018 1
489 47 47 TRP HE3 H 7.197 0.003 1
490 47 47 TRP HZ2 H 6.959 0.004 1
491 47 47 TRP HZ3 H 6.873 0.002 1
492 47 47 TRP HH2 H 6.669 0.003 1
493 47 47 TRP C C 173.428 0.000 1
494 47 47 TRP CA C 56.348 0.074 1
495 47 47 TRP CB C 32.435 0.091 1
496 47 47 TRP CD1 C 126.797 0.021 1
497 47 47 TRP CE3 C 119.132 0.022 1
498 47 47 TRP CZ2 C 113.912 0.025 1
499 47 47 TRP CZ3 C 122.600 0.028 1
500 47 47 TRP CH2 C 123.522 0.000 1
501 47 47 TRP N N 126.505 0.025 1
502 47 47 TRP NE1 N 127.337 0.027 1
503 48 48 ALA H H 9.527 0.004 1
504 48 48 ALA HA H 5.181 0.005 1
505 48 48 ALA HB H 1.120 0.006 1
506 48 48 ALA C C 176.130 0.000 1
507 48 48 ALA CA C 50.459 0.064 1
508 48 48 ALA CB C 20.842 0.038 1
509 48 48 ALA N N 124.958 0.018 1
510 49 49 VAL H H 9.078 0.004 1
511 49 49 VAL HA H 5.352 0.007 1
512 49 49 VAL HB H 2.310 0.006 1
513 49 49 VAL HG1 H 1.077 0.003 2
514 49 49 VAL HG2 H 0.838 0.004 2
515 49 49 VAL C C 173.647 0.000 1
516 49 49 VAL CA C 59.139 0.070 1
517 49 49 VAL CB C 33.974 0.046 1
518 49 49 VAL CG1 C 22.724 0.019 2
519 49 49 VAL CG2 C 21.503 0.040 2
520 49 49 VAL N N 117.591 0.021 1
521 50 50 TYR H H 8.876 0.003 1
522 50 50 TYR HA H 5.595 0.004 1
523 50 50 TYR HB2 H 3.325 0.010 2
524 50 50 TYR HB3 H 3.218 0.011 2
525 50 50 TYR C C 176.411 0.000 1
526 50 50 TYR CA C 56.775 0.028 1
527 50 50 TYR CB C 40.244 0.060 1
528 50 50 TYR N N 119.394 0.034 1
529 51 51 GLU H H 9.624 0.006 1
530 51 51 GLU HA H 4.747 0.007 1
531 51 51 GLU HB2 H 2.613 0.004 2
532 51 51 GLU HB3 H 2.483 0.011 2
533 51 51 GLU HG2 H 2.716 0.008 2
534 51 51 GLU HG3 H 1.990 0.008 2
535 51 51 GLU C C 176.524 0.000 1
536 51 51 GLU CA C 58.253 0.080 1
537 51 51 GLU CB C 33.545 0.089 1
538 51 51 GLU CG C 35.002 0.048 1
539 51 51 GLU N N 124.119 0.052 1
540 52 52 ARG H H 8.265 0.004 1
541 52 52 ARG HA H 4.631 0.009 1
542 52 52 ARG HB2 H 1.807 0.009 2
543 52 52 ARG HB3 H 1.230 0.005 2
544 52 52 ARG HG2 H 1.484 0.006 2
545 52 52 ARG HG3 H 1.417 0.007 2
546 52 52 ARG HD2 H 3.095 0.006 2
547 52 52 ARG HD3 H 2.986 0.006 2
548 52 52 ARG HE H 7.021 0.002 1
549 52 52 ARG CA C 53.522 0.055 1
550 52 52 ARG CB C 30.866 0.088 1
551 52 52 ARG CG C 27.754 0.014 1
552 52 52 ARG CD C 43.540 0.070 1
553 52 52 ARG N N 114.265 0.027 1
554 52 52 ARG NE N 83.506 0.006 1
555 53 53 PRO HA H 3.962 0.006 1
556 53 53 PRO HB2 H 2.157 0.007 2
557 53 53 PRO HB3 H 1.605 0.008 2
558 53 53 PRO HG2 H 1.868 0.002 2
559 53 53 PRO HG3 H 1.718 0.002 2
560 53 53 PRO HD2 H 3.594 0.005 2
561 53 53 PRO HD3 H 3.359 0.006 2
562 53 53 PRO C C 175.122 0.000 1
563 53 53 PRO CA C 62.576 0.066 1
564 53 53 PRO CB C 32.714 0.086 1
565 53 53 PRO CD C 51.053 0.089 1
566 54 54 ASN H H 9.933 0.011 1
567 54 54 ASN HA H 3.225 0.007 1
568 54 54 ASN HB2 H 2.725 0.004 2
569 54 54 ASN HB3 H 2.655 0.006 2
570 54 54 ASN HD21 H 7.389 0.002 2
571 54 54 ASN HD22 H 6.801 0.003 2
572 54 54 ASN C C 173.849 0.000 1
573 54 54 ASN CA C 54.093 0.047 1
574 54 54 ASN CB C 36.334 0.055 1
575 54 54 ASN CG C 178.125 0.017 1
576 54 54 ASN N N 113.920 0.026 1
577 54 54 ASN ND2 N 113.519 0.011 1
578 55 55 PHE H H 7.427 0.004 1
579 55 55 PHE HA H 3.015 0.011 1
580 55 55 PHE HB2 H 1.723 0.009 2
581 55 55 PHE HD1 H 6.816 0.004 3
582 55 55 PHE HE1 H 7.399 0.005 3
583 55 55 PHE HZ H 7.187 0.003 1
584 55 55 PHE C C 173.938 0.000 1
585 55 55 PHE CA C 55.715 0.094 1
586 55 55 PHE CB C 34.642 0.077 1
587 55 55 PHE CD1 C 131.532 0.014 3
588 55 55 PHE CE1 C 131.692 0.034 3
589 55 55 PHE CZ C 128.229 0.012 1
590 55 55 PHE N N 112.332 0.023 1
591 56 56 ALA H H 6.355 0.002 1
592 56 56 ALA HA H 4.914 0.003 1
593 56 56 ALA HB H 1.265 0.004 1
594 56 56 ALA C C 176.057 0.000 1
595 56 56 ALA CA C 50.269 0.028 1
596 56 56 ALA CB C 22.428 0.033 1
597 56 56 ALA N N 121.427 0.009 1
598 57 57 GLY H H 8.441 0.002 1
599 57 57 GLY HA2 H 4.304 0.006 2
600 57 57 GLY HA3 H 3.686 0.006 2
601 57 57 GLY C C 174.319 0.000 1
602 57 57 GLY CA C 44.308 0.045 1
603 57 57 GLY N N 105.338 0.014 1
604 58 58 TYR H H 8.308 0.005 1
605 58 58 TYR HA H 4.224 0.019 1
606 58 58 TYR HB2 H 2.909 0.012 2
607 58 58 TYR HD1 H 7.218 0.007 3
608 58 58 TYR HE1 H 6.836 0.008 3
609 58 58 TYR CA C 59.394 0.082 1
610 58 58 TYR CB C 39.491 0.089 1
611 58 58 TYR CD1 C 132.726 0.027 3
612 58 58 TYR CE1 C 118.201 0.013 3
613 58 58 TYR N N 121.237 0.032 1
614 60 60 TYR HA H 4.639 0.010 1
615 60 60 TYR HB2 H 3.226 0.003 2
616 60 60 TYR HB3 H 2.351 0.006 2
617 60 60 TYR C C 174.512 0.000 1
618 60 60 TYR CA C 55.323 0.076 1
619 60 60 TYR CB C 40.972 0.038 1
620 61 61 ILE H H 8.177 0.004 1
621 61 61 ILE HA H 4.977 0.007 1
622 61 61 ILE HB H 2.056 0.008 1
623 61 61 ILE HG12 H 1.515 0.006 2
624 61 61 ILE HG13 H 1.173 0.007 2
625 61 61 ILE HG2 H 0.681 0.004 1
626 61 61 ILE HD1 H 0.674 0.006 1
627 61 61 ILE C C 175.940 0.000 1
628 61 61 ILE CA C 58.952 0.039 1
629 61 61 ILE CB C 36.355 0.089 1
630 61 61 ILE CG1 C 27.740 0.017 1
631 61 61 ILE CG2 C 18.461 0.080 1
632 61 61 ILE CD1 C 11.825 0.061 1
633 61 61 ILE N N 122.766 0.036 1
634 62 62 LEU H H 9.647 0.004 1
635 62 62 LEU HA H 5.051 0.004 1
636 62 62 LEU HB2 H 1.403 0.007 2
637 62 62 LEU HB3 H 1.354 0.005 2
638 62 62 LEU HG H 1.107 0.006 1
639 62 62 LEU HD1 H 0.285 0.004 2
640 62 62 LEU HD2 H -0.228 0.005 2
641 62 62 LEU CA C 53.094 0.076 1
642 62 62 LEU CB C 44.881 0.043 1
643 62 62 LEU CG C 29.724 0.066 1
644 62 62 LEU CD1 C 26.191 0.032 2
645 62 62 LEU CD2 C 26.520 0.027 2
646 62 62 LEU N N 131.906 0.045 1
647 63 63 PRO HA H 5.065 0.006 1
648 63 63 PRO HB2 H 2.451 0.004 2
649 63 63 PRO HB3 H 2.118 0.006 2
650 63 63 PRO HG2 H 2.001 0.011 2
651 63 63 PRO HD2 H 4.153 0.005 2
652 63 63 PRO HD3 H 3.662 0.004 2
653 63 63 PRO C C 176.569 0.000 1
654 63 63 PRO CA C 61.228 0.040 1
655 63 63 PRO CB C 33.711 0.077 1
656 63 63 PRO CG C 27.228 0.035 1
657 63 63 PRO CD C 51.023 0.063 1
658 64 64 GLN H H 8.556 0.003 1
659 64 64 GLN HA H 4.012 0.004 1
660 64 64 GLN HB2 H 2.117 0.006 2
661 64 64 GLN HB3 H 2.020 0.008 2
662 64 64 GLN HG2 H 2.478 0.006 2
663 64 64 GLN HG3 H 2.318 0.005 2
664 64 64 GLN HE21 H 7.577 0.002 2
665 64 64 GLN HE22 H 6.919 0.002 2
666 64 64 GLN C C 175.391 0.000 1
667 64 64 GLN CA C 57.587 0.075 1
668 64 64 GLN CB C 29.248 0.036 1
669 64 64 GLN CG C 33.737 0.046 1
670 64 64 GLN CD C 180.185 0.017 1
671 64 64 GLN N N 120.797 0.015 1
672 64 64 GLN NE2 N 112.036 0.010 1
673 65 65 GLY H H 8.664 0.003 1
674 65 65 GLY HA2 H 4.257 0.008 2
675 65 65 GLY HA3 H 3.893 0.005 2
676 65 65 GLY C C 170.987 0.000 1
677 65 65 GLY CA C 44.587 0.067 1
678 65 65 GLY N N 111.618 0.029 1
679 66 66 GLU H H 8.329 0.002 1
680 66 66 GLU HA H 4.830 0.006 1
681 66 66 GLU HB2 H 1.999 0.011 2
682 66 66 GLU HG2 H 2.274 0.005 2
683 66 66 GLU HG3 H 1.904 0.004 2
684 66 66 GLU C C 175.765 0.000 1
685 66 66 GLU CA C 55.861 0.021 1
686 66 66 GLU CB C 32.094 0.060 1
687 66 66 GLU CG C 36.006 0.031 1
688 66 66 GLU N N 117.301 0.016 1
689 67 67 TYR H H 9.259 0.009 1
690 67 67 TYR HA H 5.157 0.006 1
691 67 67 TYR HB2 H 3.817 0.008 2
692 67 67 TYR HB3 H 3.238 0.003 2
693 67 67 TYR HD1 H 7.061 0.004 3
694 67 67 TYR HE1 H 6.852 0.004 3
695 67 67 TYR CA C 55.073 0.060 1
696 67 67 TYR CB C 40.089 0.062 1
697 67 67 TYR CD1 C 133.735 0.021 3
698 67 67 TYR CE1 C 117.723 0.051 3
699 67 67 TYR N N 118.722 0.029 1
700 68 68 PRO HA H 3.693 0.004 1
701 68 68 PRO HB2 H 2.132 0.007 2
702 68 68 PRO HB3 H 2.097 0.009 2
703 68 68 PRO HG2 H 2.188 0.005 2
704 68 68 PRO HG3 H 1.938 0.006 2
705 68 68 PRO HD2 H 3.928 0.006 2
706 68 68 PRO HD3 H 3.824 0.005 2
707 68 68 PRO C C 173.431 0.000 1
708 68 68 PRO CA C 65.235 0.042 1
709 68 68 PRO CB C 32.305 0.076 1
710 68 68 PRO CG C 27.154 0.073 1
711 68 68 PRO CD C 51.811 0.064 1
712 69 69 GLU H H 6.916 0.002 1
713 69 69 GLU HA H 5.375 0.006 1
714 69 69 GLU HB2 H 2.183 0.007 2
715 69 69 GLU HB3 H 1.770 0.006 2
716 69 69 GLU HG2 H 2.077 0.006 2
717 69 69 GLU HG3 H 1.946 0.009 2
718 69 69 GLU C C 177.493 0.000 1
719 69 69 GLU CA C 54.560 0.036 1
720 69 69 GLU CB C 32.876 0.057 1
721 69 69 GLU CG C 35.953 0.040 1
722 69 69 GLU N N 112.414 0.031 1
723 70 70 TYR H H 8.411 0.006 1
724 70 70 TYR HA H 1.188 0.007 1
725 70 70 TYR HB2 H 2.298 0.009 2
726 70 70 TYR HB3 H 2.204 0.008 2
727 70 70 TYR C C 178.346 0.000 1
728 70 70 TYR CA C 58.173 0.070 1
729 70 70 TYR CB C 38.465 0.034 1
730 70 70 TYR N N 121.509 0.030 1
731 71 71 GLN H H 8.522 0.004 1
732 71 71 GLN HA H 3.817 0.006 1
733 71 71 GLN HB2 H 1.834 0.006 2
734 71 71 GLN HB3 H 1.744 0.006 2
735 71 71 GLN HG2 H 2.448 0.003 2
736 71 71 GLN HG3 H 2.102 0.006 2
737 71 71 GLN HE21 H 7.177 0.003 2
738 71 71 GLN HE22 H 6.218 0.006 2
739 71 71 GLN C C 179.976 0.000 1
740 71 71 GLN CA C 59.445 0.059 1
741 71 71 GLN CB C 27.011 0.036 1
742 71 71 GLN CG C 34.411 0.037 1
743 71 71 GLN CD C 179.647 0.008 1
744 71 71 GLN N N 123.624 0.066 1
745 71 71 GLN NE2 N 109.320 0.021 1
746 72 72 ARG H H 8.045 0.006 1
747 72 72 ARG HA H 4.381 0.004 1
748 72 72 ARG HB2 H 2.574 0.005 2
749 72 72 ARG HB3 H 2.445 0.005 2
750 72 72 ARG HG2 H 1.893 0.005 2
751 72 72 ARG HD2 H 3.424 0.004 2
752 72 72 ARG HE H 7.715 0.004 1
753 72 72 ARG C C 177.371 0.000 1
754 72 72 ARG CA C 56.338 0.076 1
755 72 72 ARG CB C 29.477 0.071 1
756 72 72 ARG CG C 27.896 0.042 1
757 72 72 ARG CD C 41.356 0.023 1
758 72 72 ARG N N 117.507 0.038 1
759 72 72 ARG NE N 83.245 0.011 1
760 73 73 TRP H H 7.279 0.004 1
761 73 73 TRP HA H 5.315 0.007 1
762 73 73 TRP HB2 H 3.461 0.007 2
763 73 73 TRP HB3 H 2.565 0.007 2
764 73 73 TRP HD1 H 6.063 0.006 1
765 73 73 TRP HE1 H 9.988 0.005 1
766 73 73 TRP HZ2 H 7.297 0.003 1
767 73 73 TRP HH2 H 6.672 0.002 1
768 73 73 TRP C C 174.757 0.000 1
769 73 73 TRP CA C 56.817 0.069 1
770 73 73 TRP CB C 27.719 0.085 1
771 73 73 TRP CD1 C 128.583 0.024 1
772 73 73 TRP CZ2 C 115.555 0.028 1
773 73 73 TRP CH2 C 122.946 0.046 1
774 73 73 TRP N N 116.449 0.016 1
775 73 73 TRP NE1 N 130.200 0.000 1
776 74 74 MET H H 7.654 0.004 1
777 74 74 MET HA H 4.021 0.005 1
778 74 74 MET HB2 H 2.809 0.006 2
779 74 74 MET HB3 H 2.377 0.006 2
780 74 74 MET HG2 H 2.877 0.006 2
781 74 74 MET HG3 H 2.616 0.004 2
782 74 74 MET HE H 2.402 0.001 1
783 74 74 MET C C 176.198 0.000 1
784 74 74 MET CA C 56.510 0.050 1
785 74 74 MET CB C 29.387 0.062 1
786 74 74 MET CG C 32.716 0.035 1
787 74 74 MET CE C 17.106 0.016 1
788 74 74 MET N N 113.023 0.038 1
789 75 75 GLY H H 7.561 0.006 1
790 75 75 GLY HA2 H 3.679 0.007 2
791 75 75 GLY HA3 H 2.864 0.007 2
792 75 75 GLY C C 173.739 0.000 1
793 75 75 GLY CA C 45.974 0.063 1
794 75 75 GLY N N 105.496 0.032 1
795 76 76 LEU H H 7.544 0.005 1
796 76 76 LEU HA H 4.319 0.004 1
797 76 76 LEU HB2 H 1.460 0.007 2
798 76 76 LEU HB3 H 1.297 0.006 2
799 76 76 LEU HG H 1.644 0.005 1
800 76 76 LEU HD1 H 0.746 0.008 2
801 76 76 LEU HD2 H 0.605 0.004 2
802 76 76 LEU C C 176.907 0.000 1
803 76 76 LEU CA C 55.849 0.069 1
804 76 76 LEU CB C 42.965 0.029 1
805 76 76 LEU CG C 28.102 0.085 1
806 76 76 LEU CD1 C 23.502 0.066 2
807 76 76 LEU CD2 C 24.233 0.020 2
808 76 76 LEU N N 120.844 0.023 1
809 77 77 ASN H H 7.305 0.005 1
810 77 77 ASN HA H 3.600 0.006 1
811 77 77 ASN HB2 H 3.273 0.006 2
812 77 77 ASN HB3 H 2.861 0.004 2
813 77 77 ASN HD21 H 7.861 0.002 2
814 77 77 ASN HD22 H 7.216 0.002 2
815 77 77 ASN C C 171.503 0.000 1
816 77 77 ASN CA C 51.255 0.029 1
817 77 77 ASN CB C 37.725 0.040 1
818 77 77 ASN N N 111.949 0.020 1
819 77 77 ASN ND2 N 115.750 0.058 1
820 78 78 ASP H H 7.717 0.005 1
821 78 78 ASP HA H 4.625 0.006 1
822 78 78 ASP HB2 H 3.133 0.006 2
823 78 78 ASP HB3 H 2.581 0.006 2
824 78 78 ASP C C 175.614 0.000 1
825 78 78 ASP CA C 52.335 0.066 1
826 78 78 ASP CB C 39.363 0.059 1
827 78 78 ASP N N 114.427 0.010 1
828 79 79 ARG H H 7.875 0.002 1
829 79 79 ARG HA H 4.701 0.005 1
830 79 79 ARG HB2 H 1.902 0.007 2
831 79 79 ARG HB3 H 1.816 0.011 2
832 79 79 ARG HG2 H 1.620 0.003 2
833 79 79 ARG HD2 H 3.229 0.007 2
834 79 79 ARG HD3 H 3.177 0.006 2
835 79 79 ARG HE H 7.377 0.005 1
836 79 79 ARG C C 175.220 0.000 1
837 79 79 ARG CA C 55.550 0.049 1
838 79 79 ARG CB C 30.502 0.056 1
839 79 79 ARG CG C 26.882 0.039 1
840 79 79 ARG CD C 43.548 0.059 1
841 79 79 ARG N N 118.863 0.021 1
842 79 79 ARG NE N 84.966 0.015 1
843 80 80 LEU H H 7.150 0.004 1
844 80 80 LEU HA H 4.989 0.008 1
845 80 80 LEU HB2 H 1.566 0.010 2
846 80 80 LEU HB3 H 1.321 0.009 2
847 80 80 LEU HG H 1.800 0.007 1
848 80 80 LEU HD1 H 1.186 0.004 2
849 80 80 LEU HD2 H 0.871 0.005 2
850 80 80 LEU C C 176.048 0.000 1
851 80 80 LEU CA C 54.909 0.081 1
852 80 80 LEU CB C 48.121 0.082 1
853 80 80 LEU CG C 27.335 0.034 1
854 80 80 LEU CD1 C 24.125 0.036 2
855 80 80 LEU CD2 C 27.727 0.070 2
856 80 80 LEU N N 122.605 0.018 1
857 81 81 SER H H 8.730 0.006 1
858 81 81 SER HA H 3.372 0.005 1
859 81 81 SER HB2 H 3.328 0.006 2
860 81 81 SER HB3 H 2.982 0.003 2
861 81 81 SER C C 171.106 0.000 1
862 81 81 SER CA C 57.885 0.069 1
863 81 81 SER CB C 66.630 0.065 1
864 81 81 SER N N 108.999 0.025 1
865 82 82 SER H H 7.659 0.018 1
866 82 82 SER C C 174.013 0.000 1
867 82 82 SER CA C 59.111 0.012 1
868 82 82 SER CB C 65.883 0.081 1
869 82 82 SER N N 109.980 0.078 1
870 83 83 CYS H H 9.737 0.003 1
871 83 83 CYS HA H 6.448 0.007 1
872 83 83 CYS HB2 H 3.728 0.007 2
873 83 83 CYS HB3 H 3.616 0.005 2
874 83 83 CYS C C 171.901 0.000 1
875 83 83 CYS CA C 56.593 0.043 1
876 83 83 CYS CB C 32.885 0.065 1
877 83 83 CYS N N 112.860 0.021 1
878 84 84 ARG H H 10.101 0.005 1
879 84 84 ARG HA H 4.955 0.006 1
880 84 84 ARG HB2 H 1.693 0.009 2
881 84 84 ARG HG2 H 1.326 0.006 2
882 84 84 ARG HD2 H 2.383 0.004 2
883 84 84 ARG HE H 6.585 0.004 1
884 84 84 ARG C C 173.328 0.000 1
885 84 84 ARG CA C 55.155 0.075 1
886 84 84 ARG CB C 34.288 0.070 1
887 84 84 ARG CG C 27.228 0.024 1
888 84 84 ARG CD C 43.317 0.028 1
889 84 84 ARG N N 119.275 0.044 1
890 84 84 ARG NE N 83.509 0.012 1
891 85 85 ALA H H 8.238 0.005 1
892 85 85 ALA HA H 3.217 0.007 1
893 85 85 ALA HB H 0.148 0.005 1
894 85 85 ALA C C 176.873 0.000 1
895 85 85 ALA CA C 51.516 0.041 1
896 85 85 ALA CB C 17.384 0.037 1
897 85 85 ALA N N 127.241 0.051 1
898 86 86 VAL H H 8.077 0.004 1
899 86 86 VAL HA H 3.679 0.004 1
900 86 86 VAL HB H 1.559 0.006 1
901 86 86 VAL HG1 H 0.723 0.004 2
902 86 86 VAL HG2 H 0.642 0.006 2
903 86 86 VAL C C 174.852 0.000 1
904 86 86 VAL CA C 62.184 0.082 1
905 86 86 VAL CB C 31.766 0.061 1
906 86 86 VAL CG1 C 21.621 0.098 2
907 86 86 VAL CG2 C 21.523 0.029 2
908 86 86 VAL N N 122.913 0.025 1
909 87 87 HIS H H 8.671 0.003 1
910 87 87 HIS HA H 4.663 0.003 1
911 87 87 HIS HB2 H 3.059 0.003 2
912 87 87 HIS HD2 H 7.178 0.001 1
913 87 87 HIS HE1 H 8.490 0.002 1
914 87 87 HIS C C 173.745 0.000 1
915 87 87 HIS CA C 54.118 0.091 1
916 87 87 HIS CB C 28.485 0.021 1
917 87 87 HIS CD2 C 120.018 0.013 1
918 87 87 HIS CE1 C 136.171 0.032 1
919 87 87 HIS N N 126.089 0.017 1
920 88 88 LEU H H 8.694 0.003 1
921 88 88 LEU HA H 4.547 0.006 1
922 88 88 LEU HB2 H 1.603 0.008 2
923 88 88 LEU HB3 H 1.474 0.005 2
924 88 88 LEU HG H 1.590 0.005 1
925 88 88 LEU HD1 H 0.793 0.005 2
926 88 88 LEU HD2 H 0.734 0.005 2
927 88 88 LEU CA C 52.527 0.028 1
928 88 88 LEU CB C 41.150 0.065 1
929 88 88 LEU CG C 27.400 0.047 1
930 88 88 LEU CD1 C 25.168 0.033 2
931 88 88 LEU CD2 C 23.507 0.039 2
932 88 88 LEU N N 126.688 0.015 1
933 89 89 PRO HA H 4.526 0.005 1
934 89 89 PRO HB2 H 2.269 0.006 2
935 89 89 PRO HB3 H 2.014 0.004 2
936 89 89 PRO HG2 H 1.905 0.008 2
937 89 89 PRO HG3 H 1.801 0.007 2
938 89 89 PRO HD2 H 3.675 0.004 2
939 89 89 PRO HD3 H 3.615 0.006 2
940 89 89 PRO CA C 62.173 0.050 1
941 89 89 PRO CB C 32.224 0.048 1
942 89 89 PRO CG C 27.429 0.052 1
943 89 89 PRO CD C 50.140 0.038 1
944 90 90 SER H H 8.702 0.006 1
945 90 90 SER HA H 4.382 0.004 1
946 90 90 SER HB2 H 3.888 0.004 2
947 90 90 SER C C 175.991 0.000 1
948 90 90 SER CA C 59.100 0.038 1
949 90 90 SER CB C 63.472 0.037 1
950 90 90 SER N N 117.685 0.051 1
951 91 91 GLY H H 8.636 0.003 1
952 91 91 GLY HA2 H 4.163 0.004 2
953 91 91 GLY HA3 H 3.892 0.006 2
954 91 91 GLY C C 175.532 0.005 1
955 91 91 GLY CA C 45.773 0.049 1
956 91 91 GLY N N 111.263 0.011 1
957 92 92 GLY H H 8.064 0.004 1
958 92 92 GLY HA2 H 3.943 0.011 2
959 92 92 GLY HA3 H 3.877 0.006 2
960 92 92 GLY C C 173.353 0.000 1
961 92 92 GLY CA C 46.121 0.034 1
962 92 92 GLY N N 107.367 0.014 1
963 93 93 GLN H H 7.817 0.004 1
964 93 93 GLN HA H 4.482 0.005 1
965 93 93 GLN HB2 H 1.964 0.004 2
966 93 93 GLN HB3 H 1.784 0.007 2
967 93 93 GLN HG2 H 2.282 0.009 2
968 93 93 GLN HG3 H 2.239 0.008 2
969 93 93 GLN HE21 H 7.518 0.002 2
970 93 93 GLN HE22 H 6.878 0.002 2
971 93 93 GLN C C 174.274 0.000 1
972 93 93 GLN CA C 55.009 0.052 1
973 93 93 GLN CB C 30.210 0.050 1
974 93 93 GLN CG C 33.970 0.023 1
975 93 93 GLN CD C 180.511 0.010 1
976 93 93 GLN N N 117.994 0.017 1
977 93 93 GLN NE2 N 112.860 0.037 1
978 94 94 TYR H H 8.360 0.006 1
979 94 94 TYR HA H 4.503 0.009 1
980 94 94 TYR HB2 H 2.770 0.004 2
981 94 94 TYR HB3 H 2.715 0.006 2
982 94 94 TYR HD1 H 6.647 0.005 3
983 94 94 TYR HE1 H 6.835 0.004 3
984 94 94 TYR CA C 56.428 0.044 1
985 94 94 TYR CB C 40.891 0.018 1
986 94 94 TYR CD1 C 133.186 0.005 3
987 94 94 TYR CE1 C 118.970 0.011 3
988 94 94 TYR N N 118.674 0.018 1
989 95 95 LYS HA H 5.008 0.006 1
990 95 95 LYS HB2 H 2.078 0.007 2
991 95 95 LYS HB3 H 1.556 0.010 2
992 95 95 LYS HG2 H 1.271 0.009 2
993 95 95 LYS HD2 H 1.692 0.005 2
994 95 95 LYS HD3 H 1.533 0.001 2
995 95 95 LYS HE2 H 2.875 0.076 2
996 95 95 LYS HE3 H 2.766 0.005 2
997 95 95 LYS C C 172.955 0.000 1
998 95 95 LYS CA C 58.065 0.056 1
999 95 95 LYS CB C 35.111 0.077 1
1000 95 95 LYS CG C 25.275 0.097 1
1001 95 95 LYS CD C 29.262 0.013 1
1002 95 95 LYS CE C 41.641 0.044 1
1003 96 96 ILE H H 9.043 0.007 1
1004 96 96 ILE HA H 4.493 0.004 1
1005 96 96 ILE HB H 0.054 0.007 1
1006 96 96 ILE HG12 H 0.899 0.004 2
1007 96 96 ILE HG13 H 0.156 0.004 2
1008 96 96 ILE HG2 H -0.434 0.004 1
1009 96 96 ILE HD1 H -0.553 0.004 1
1010 96 96 ILE C C 175.340 0.000 1
1011 96 96 ILE CA C 59.305 0.007 1
1012 96 96 ILE CB C 42.877 0.043 1
1013 96 96 ILE CG1 C 28.628 0.048 1
1014 96 96 ILE CG2 C 15.098 0.011 1
1015 96 96 ILE CD1 C 13.073 0.058 1
1016 96 96 ILE N N 128.741 0.019 1
1017 97 97 GLN H H 8.853 0.008 1
1018 97 97 GLN HA H 5.155 0.006 1
1019 97 97 GLN HB2 H 2.020 0.006 2
1020 97 97 GLN HB3 H 1.497 0.011 2
1021 97 97 GLN HG2 H 2.197 0.006 2
1022 97 97 GLN HG3 H 2.158 0.006 2
1023 97 97 GLN HE21 H 7.905 0.004 2
1024 97 97 GLN HE22 H 6.407 0.008 2
1025 97 97 GLN CA C 53.585 0.050 1
1026 97 97 GLN CB C 31.130 0.071 1
1027 97 97 GLN CG C 33.852 0.027 1
1028 97 97 GLN CD C 178.417 0.017 1
1029 97 97 GLN N N 116.341 0.076 1
1030 97 97 GLN NE2 N 109.297 0.035 1
1031 98 98 ILE HA H 4.764 0.005 1
1032 98 98 ILE HB H 1.700 0.006 1
1033 98 98 ILE HG12 H 1.377 0.004 2
1034 98 98 ILE HG13 H 0.719 0.004 2
1035 98 98 ILE HG2 H 0.422 0.005 1
1036 98 98 ILE HD1 H 0.306 0.002 1
1037 98 98 ILE C C 173.253 0.000 1
1038 98 98 ILE CA C 59.721 0.075 1
1039 98 98 ILE CB C 40.686 0.095 1
1040 98 98 ILE CG1 C 25.499 0.069 1
1041 98 98 ILE CG2 C 18.166 0.041 1
1042 98 98 ILE CD1 C 12.853 0.040 1
1043 99 99 PHE H H 8.085 0.003 1
1044 99 99 PHE HA H 5.489 0.012 1
1045 99 99 PHE HB2 H 3.400 0.008 2
1046 99 99 PHE HD1 H 6.683 0.005 3
1047 99 99 PHE HE1 H 6.407 0.008 3
1048 99 99 PHE HZ H 5.572 0.004 1
1049 99 99 PHE C C 176.534 0.000 1
1050 99 99 PHE CA C 56.829 0.052 1
1051 99 99 PHE CB C 41.460 0.080 1
1052 99 99 PHE CD1 C 131.581 0.034 3
1053 99 99 PHE CE1 C 130.344 0.034 3
1054 99 99 PHE CZ C 128.445 0.049 1
1055 99 99 PHE N N 117.170 0.043 1
1056 100 100 GLU H H 8.936 0.006 1
1057 100 100 GLU HA H 4.364 0.005 1
1058 100 100 GLU HB2 H 2.457 0.007 2
1059 100 100 GLU HB3 H 2.308 0.008 2
1060 100 100 GLU HG2 H 2.693 0.008 2
1061 100 100 GLU HG3 H 2.348 0.010 2
1062 100 100 GLU C C 176.196 0.000 1
1063 100 100 GLU CA C 58.048 0.066 1
1064 100 100 GLU CB C 33.138 0.030 1
1065 100 100 GLU CG C 35.876 0.072 1
1066 100 100 GLU N N 121.303 0.020 1
1067 101 101 LYS H H 7.870 0.004 1
1068 101 101 LYS HA H 4.502 0.006 1
1069 101 101 LYS HB2 H 1.792 0.007 2
1070 101 101 LYS HB3 H 1.490 0.007 2
1071 101 101 LYS HG2 H 1.289 0.010 2
1072 101 101 LYS HG3 H 1.181 0.006 2
1073 101 101 LYS HD2 H 1.623 0.007 2
1074 101 101 LYS HD3 H 1.466 0.008 2
1075 101 101 LYS HE2 H 2.908 0.010 2
1076 101 101 LYS C C 176.129 0.000 1
1077 101 101 LYS CA C 54.112 0.066 1
1078 101 101 LYS CB C 35.714 0.067 1
1079 101 101 LYS CG C 25.891 0.078 1
1080 101 101 LYS CD C 29.281 0.048 1
1081 101 101 LYS CE C 42.118 0.027 1
1082 101 101 LYS N N 112.888 0.016 1
1083 102 102 GLY H H 8.600 0.002 1
1084 102 102 GLY HA2 H 3.848 0.009 2
1085 102 102 GLY HA3 H 3.781 0.008 2
1086 102 102 GLY CA C 44.759 0.069 1
1087 102 102 GLY N N 106.342 0.019 1
1088 103 103 ASP HA H 3.080 0.005 1
1089 103 103 ASP HB2 H 2.605 0.005 2
1090 103 103 ASP HB3 H 2.386 0.008 2
1091 103 103 ASP C C 173.906 0.000 1
1092 103 103 ASP CA C 55.976 0.046 1
1093 103 103 ASP CB C 38.989 0.066 1
1094 104 104 PHE H H 7.910 0.007 1
1095 104 104 PHE HA H 2.578 0.006 1
1096 104 104 PHE HB2 H 2.952 0.008 2
1097 104 104 PHE HB3 H 2.072 0.008 2
1098 104 104 PHE HD1 H 6.604 0.005 3
1099 104 104 PHE HE1 H 7.228 0.008 3
1100 104 104 PHE HZ H 6.888 0.005 1
1101 104 104 PHE C C 174.963 0.000 1
1102 104 104 PHE CA C 55.189 0.049 1
1103 104 104 PHE CB C 35.428 0.078 1
1104 104 104 PHE CD1 C 131.319 0.024 3
1105 104 104 PHE CE1 C 131.590 0.047 3
1106 104 104 PHE CZ C 128.110 0.000 1
1107 104 104 PHE N N 111.449 0.028 1
1108 105 105 SER H H 6.477 0.003 1
1109 105 105 SER HA H 4.894 0.003 1
1110 105 105 SER HB2 H 3.778 0.004 2
1111 105 105 SER HB3 H 3.751 0.005 2
1112 105 105 SER C C 173.011 0.000 1
1113 105 105 SER CA C 57.031 0.066 1
1114 105 105 SER CB C 65.646 0.077 1
1115 105 105 SER N N 113.350 0.009 1
1116 106 106 GLY H H 8.376 0.002 1
1117 106 106 GLY HA2 H 4.101 0.007 2
1118 106 106 GLY HA3 H 3.847 0.005 2
1119 106 106 GLY C C 173.070 0.000 1
1120 106 106 GLY CA C 44.405 0.097 1
1121 106 106 GLY N N 106.203 0.027 1
1122 107 107 GLN H H 8.769 0.003 1
1123 107 107 GLN HA H 3.870 0.006 1
1124 107 107 GLN HB2 H 2.052 0.005 2
1125 107 107 GLN HB3 H 1.864 0.005 2
1126 107 107 GLN HG2 H 2.364 0.004 2
1127 107 107 GLN HG3 H 1.856 0.008 2
1128 107 107 GLN HE21 H 6.922 0.003 2
1129 107 107 GLN C C 173.405 0.000 1
1130 107 107 GLN CA C 57.188 0.035 1
1131 107 107 GLN CB C 29.497 0.054 1
1132 107 107 GLN CG C 33.817 0.043 1
1133 107 107 GLN CD C 180.054 0.000 1
1134 107 107 GLN N N 120.499 0.013 1
1135 107 107 GLN NE2 N 114.457 0.000 1
1136 108 108 MET H H 7.747 0.004 1
1137 108 108 MET HA H 4.953 0.005 1
1138 108 108 MET HB2 H 1.524 0.011 2
1139 108 108 MET HG2 H 1.457 0.006 2
1140 108 108 MET HG3 H 1.410 0.011 2
1141 108 108 MET HE H 1.795 0.000 1
1142 108 108 MET C C 175.456 0.000 1
1143 108 108 MET CA C 52.948 0.058 1
1144 108 108 MET CB C 35.363 0.054 1
1145 108 108 MET CG C 31.822 0.090 1
1146 108 108 MET CE C 17.175 0.031 1
1147 108 108 MET N N 124.755 0.023 1
1148 109 109 TYR H H 8.228 0.003 1
1149 109 109 TYR HA H 4.592 0.007 1
1150 109 109 TYR HB2 H 2.608 0.007 2
1151 109 109 TYR HB3 H 1.716 0.008 2
1152 109 109 TYR HD2 H 7.003 0.006 3
1153 109 109 TYR HE1 H 6.944 0.003 3
1154 109 109 TYR C C 173.278 0.000 1
1155 109 109 TYR CA C 57.527 0.068 1
1156 109 109 TYR CB C 42.032 0.057 1
1157 109 109 TYR CD2 C 133.624 0.017 3
1158 109 109 TYR CE1 C 118.226 0.021 3
1159 109 109 TYR N N 122.248 0.018 1
1160 110 110 GLU H H 8.804 0.004 1
1161 110 110 GLU HA H 5.449 0.005 1
1162 110 110 GLU HB2 H 2.023 0.007 2
1163 110 110 GLU HB3 H 1.902 0.008 2
1164 110 110 GLU HG2 H 2.081 0.008 2
1165 110 110 GLU HG3 H 2.031 0.021 2
1166 110 110 GLU C C 175.212 0.000 1
1167 110 110 GLU CA C 53.925 0.064 1
1168 110 110 GLU CB C 34.058 0.041 1
1169 110 110 GLU CG C 37.515 0.035 1
1170 110 110 GLU N N 122.958 0.026 1
1171 111 111 THR H H 8.866 0.004 1
1172 111 111 THR HA H 5.239 0.005 1
1173 111 111 THR HB H 4.401 0.003 1
1174 111 111 THR HG2 H 1.476 0.004 1
1175 111 111 THR C C 171.358 0.000 1
1176 111 111 THR CA C 59.689 0.040 1
1177 111 111 THR CB C 70.653 0.043 1
1178 111 111 THR CG2 C 19.925 0.031 1
1179 111 111 THR N N 118.041 0.038 1
1180 112 112 THR H H 8.166 0.003 1
1181 112 112 THR HA H 5.190 0.007 1
1182 112 112 THR HB H 4.963 0.004 1
1183 112 112 THR HG2 H 1.498 0.003 1
1184 112 112 THR C C 177.508 0.000 1
1185 112 112 THR CA C 61.097 0.091 1
1186 112 112 THR CB C 70.287 0.076 1
1187 112 112 THR CG2 C 21.238 0.054 1
1188 112 112 THR N N 114.985 0.021 1
1189 113 113 GLU H H 8.450 0.007 1
1190 113 113 GLU HA H 4.741 0.007 1
1191 113 113 GLU HB2 H 2.346 0.005 2
1192 113 113 GLU HB3 H 1.938 0.006 2
1193 113 113 GLU HG2 H 2.466 0.004 2
1194 113 113 GLU HG3 H 2.343 0.007 2
1195 113 113 GLU C C 174.871 0.000 1
1196 113 113 GLU CA C 54.453 0.044 1
1197 113 113 GLU CB C 33.763 0.033 1
1198 113 113 GLU CG C 35.718 0.065 1
1199 113 113 GLU N N 121.668 0.065 1
1200 114 114 ASP H H 8.336 0.004 1
1201 114 114 ASP HA H 4.787 0.009 1
1202 114 114 ASP HB2 H 3.314 0.006 2
1203 114 114 ASP HB3 H 2.549 0.006 2
1204 114 114 ASP C C 176.082 0.000 1
1205 114 114 ASP CA C 55.839 0.081 1
1206 114 114 ASP CB C 41.042 0.068 1
1207 114 114 ASP N N 118.792 0.017 1
1208 115 115 CYS H H 8.993 0.005 1
1209 115 115 CYS HA H 4.940 0.009 1
1210 115 115 CYS HB2 H 2.352 0.007 2
1211 115 115 CYS HB3 H 1.037 0.006 2
1212 115 115 CYS CA C 55.572 0.078 1
1213 115 115 CYS CB C 28.482 0.032 1
1214 115 115 CYS N N 121.171 0.025 1
1215 116 116 PRO HA H 3.947 0.008 1
1216 116 116 PRO HB2 H 1.929 0.010 2
1217 116 116 PRO HG2 H 2.020 0.008 2
1218 116 116 PRO HG3 H 1.898 0.010 2
1219 116 116 PRO HD2 H 3.978 0.009 2
1220 116 116 PRO HD3 H 3.472 0.003 2
1221 116 116 PRO C C 175.715 0.000 1
1222 116 116 PRO CA C 64.205 0.077 1
1223 116 116 PRO CB C 31.801 0.050 1
1224 116 116 PRO CG C 26.248 0.063 1
1225 116 116 PRO CD C 50.589 0.092 1
1226 117 117 SER H H 7.177 0.003 1
1227 117 117 SER HA H 4.912 0.007 1
1228 117 117 SER HB2 H 3.971 0.008 2
1229 117 117 SER HB3 H 3.529 0.006 2
1230 117 117 SER C C 175.161 0.000 1
1231 117 117 SER CA C 56.928 0.057 1
1232 117 117 SER CB C 62.535 0.068 1
1233 117 117 SER N N 111.710 0.019 1
1234 118 118 ILE H H 8.680 0.002 1
1235 118 118 ILE HA H 3.973 0.005 1
1236 118 118 ILE HB H 1.801 0.004 1
1237 118 118 ILE HG12 H 1.530 0.008 2
1238 118 118 ILE HG13 H 1.052 0.007 2
1239 118 118 ILE HG2 H 1.018 0.004 1
1240 118 118 ILE HD1 H 0.649 0.002 1
1241 118 118 ILE C C 178.582 0.000 1
1242 118 118 ILE CA C 64.914 0.067 1
1243 118 118 ILE CB C 38.589 0.079 1
1244 118 118 ILE CG1 C 28.095 0.084 1
1245 118 118 ILE CG2 C 18.059 0.087 1
1246 118 118 ILE CD1 C 14.903 0.015 1
1247 118 118 ILE N N 131.975 0.043 1
1248 119 119 MET H H 8.968 0.005 1
1249 119 119 MET HA H 4.261 0.004 1
1250 119 119 MET HB2 H 2.115 0.006 2
1251 119 119 MET HB3 H 1.920 0.004 2
1252 119 119 MET HG2 H 2.655 0.006 2
1253 119 119 MET HG3 H 2.411 0.006 2
1254 119 119 MET HE H 1.958 0.000 1
1255 119 119 MET C C 178.616 0.000 1
1256 119 119 MET CA C 58.536 0.073 1
1257 119 119 MET CB C 31.494 0.067 1
1258 119 119 MET CG C 32.746 0.056 1
1259 119 119 MET CE C 16.822 0.010 1
1260 119 119 MET N N 123.633 0.035 1
1261 120 120 GLU H H 7.674 0.003 1
1262 120 120 GLU HA H 3.886 0.004 1
1263 120 120 GLU HB2 H 1.953 0.006 2
1264 120 120 GLU HB3 H 1.850 0.004 2
1265 120 120 GLU HG2 H 2.265 0.004 2
1266 120 120 GLU HG3 H 2.213 0.004 2
1267 120 120 GLU C C 177.222 0.000 1
1268 120 120 GLU CA C 58.842 0.082 1
1269 120 120 GLU CB C 29.684 0.051 1
1270 120 120 GLU CG C 36.027 0.073 1
1271 120 120 GLU N N 117.678 0.015 1
1272 121 121 GLN H H 7.288 0.002 1
1273 121 121 GLN HA H 3.864 0.004 1
1274 121 121 GLN HB2 H 1.530 0.004 2
1275 121 121 GLN HB3 H 0.889 0.006 2
1276 121 121 GLN HG2 H 1.538 0.005 2
1277 121 121 GLN HG3 H 1.180 0.004 2
1278 121 121 GLN HE21 H 7.052 0.002 2
1279 121 121 GLN HE22 H 6.803 0.003 2
1280 121 121 GLN C C 176.294 0.000 1
1281 121 121 GLN CA C 57.897 0.068 1
1282 121 121 GLN CB C 29.702 0.072 1
1283 121 121 GLN CG C 32.969 0.033 1
1284 121 121 GLN CD C 179.149 0.009 1
1285 121 121 GLN N N 113.859 0.013 1
1286 121 121 GLN NE2 N 111.295 0.002 1
1287 122 122 PHE H H 7.840 0.003 1
1288 122 122 PHE HA H 4.370 0.006 1
1289 122 122 PHE HB2 H 2.792 0.007 2
1290 122 122 PHE HB3 H 2.373 0.005 2
1291 122 122 PHE HD1 H 6.590 0.002 3
1292 122 122 PHE HE1 H 7.344 0.003 3
1293 122 122 PHE HZ H 7.164 0.001 1
1294 122 122 PHE C C 174.171 0.000 1
1295 122 122 PHE CA C 56.376 0.094 1
1296 122 122 PHE CB C 40.404 0.049 1
1297 122 122 PHE CD1 C 131.682 0.016 3
1298 122 122 PHE CE1 C 131.531 0.008 3
1299 122 122 PHE CZ C 129.054 0.023 1
1300 122 122 PHE N N 113.644 0.027 1
1301 123 123 HIS H H 7.498 0.004 1
1302 123 123 HIS HA H 4.828 0.006 1
1303 123 123 HIS HB2 H 3.472 0.003 2
1304 123 123 HIS HD2 H 7.246 0.001 1
1305 123 123 HIS HE1 H 8.539 0.002 1
1306 123 123 HIS C C 173.932 0.000 1
1307 123 123 HIS CA C 56.236 0.046 1
1308 123 123 HIS CB C 26.026 0.065 1
1309 123 123 HIS CD2 C 119.627 0.057 1
1310 123 123 HIS CE1 C 135.916 0.009 1
1311 123 123 HIS N N 114.341 0.021 1
1312 124 124 MET H H 6.930 0.004 1
1313 124 124 MET HA H 4.799 0.008 1
1314 124 124 MET HB2 H 2.200 0.004 2
1315 124 124 MET HB3 H 1.717 0.003 2
1316 124 124 MET HG2 H 2.592 0.003 2
1317 124 124 MET HG3 H 2.554 0.010 2
1318 124 124 MET HE H 2.034 0.005 1
1319 124 124 MET C C 174.310 0.000 1
1320 124 124 MET CA C 54.876 0.018 1
1321 124 124 MET CB C 37.792 0.035 1
1322 124 124 MET CG C 31.584 0.010 1
1323 124 124 MET CE C 16.960 0.007 1
1324 124 124 MET N N 115.407 0.028 1
1325 125 125 ARG H H 8.877 0.004 1
1326 125 125 ARG HA H 4.392 0.007 1
1327 125 125 ARG HB2 H 1.926 0.007 2
1328 125 125 ARG HB3 H 1.850 0.006 2
1329 125 125 ARG HG2 H 1.716 0.005 2
1330 125 125 ARG HD2 H 3.242 0.004 2
1331 125 125 ARG HE H 7.274 0.004 1
1332 125 125 ARG C C 175.413 0.000 1
1333 125 125 ARG CA C 56.681 0.072 1
1334 125 125 ARG CB C 32.003 0.097 1
1335 125 125 ARG CG C 27.892 0.063 1
1336 125 125 ARG CD C 43.392 0.023 1
1337 125 125 ARG N N 118.548 0.042 1
1338 125 125 ARG NE N 84.608 0.025 1
1339 126 126 GLU H H 7.611 0.003 1
1340 126 126 GLU HA H 4.922 0.003 1
1341 126 126 GLU HB2 H 2.111 0.005 2
1342 126 126 GLU HB3 H 1.998 0.008 2
1343 126 126 GLU HG2 H 2.220 0.002 2
1344 126 126 GLU C C 174.592 0.000 1
1345 126 126 GLU CA C 54.279 0.043 1
1346 126 126 GLU CB C 34.613 0.086 1
1347 126 126 GLU CG C 35.941 0.000 1
1348 126 126 GLU N N 115.148 0.021 1
1349 127 127 ILE H H 8.131 0.003 1
1350 127 127 ILE HA H 4.423 0.006 1
1351 127 127 ILE HB H 1.499 0.004 1
1352 127 127 ILE HG12 H 1.289 0.004 2
1353 127 127 ILE HG13 H 0.844 0.004 2
1354 127 127 ILE HG2 H 1.015 0.002 1
1355 127 127 ILE HD1 H 0.355 0.002 1
1356 127 127 ILE CA C 61.179 0.050 1
1357 127 127 ILE CB C 40.549 0.025 1
1358 127 127 ILE CG1 C 27.391 0.046 1
1359 127 127 ILE CG2 C 18.268 0.046 1
1360 127 127 ILE CD1 C 13.987 0.044 1
1361 127 127 ILE N N 118.678 0.023 1
1362 128 128 HIS HA H 4.731 0.003 1
1363 128 128 HIS HB2 H 3.154 0.009 2
1364 128 128 HIS HB3 H 2.449 0.004 2
1365 128 128 HIS HD2 H 7.247 0.000 1
1366 128 128 HIS HE1 H 8.568 0.004 1
1367 128 128 HIS C C 173.431 0.000 1
1368 128 128 HIS CA C 56.671 0.086 1
1369 128 128 HIS CB C 32.169 0.087 1
1370 128 128 HIS CD2 C 119.330 0.035 1
1371 128 128 HIS CE1 C 136.612 0.000 1
1372 129 129 SER H H 8.020 0.005 1
1373 129 129 SER HA H 4.636 0.005 1
1374 129 129 SER HB2 H 4.505 0.007 2
1375 129 129 SER HB3 H 4.295 0.012 2
1376 129 129 SER C C 173.306 0.000 1
1377 129 129 SER CA C 59.690 0.044 1
1378 129 129 SER CB C 64.779 0.063 1
1379 129 129 SER N N 106.454 0.039 1
1380 130 130 CYS H H 9.951 0.013 1
1381 130 130 CYS HA H 5.818 0.005 1
1382 130 130 CYS HB2 H 3.055 0.007 2
1383 130 130 CYS HB3 H 2.823 0.007 2
1384 130 130 CYS CA C 57.822 0.070 1
1385 130 130 CYS CB C 29.990 0.072 1
1386 130 130 CYS N N 115.162 0.053 1
1387 131 131 LYS HB2 H 1.877 0.000 2
1388 131 131 LYS HB3 H 1.687 0.004 2
1389 131 131 LYS HG2 H 1.532 0.002 2
1390 131 131 LYS HD2 H 1.696 0.002 2
1391 131 131 LYS HE2 H 3.057 0.003 2
1392 131 131 LYS CB C 32.533 0.053 1
1393 131 131 LYS CG C 24.710 0.000 1
1394 131 131 LYS CD C 29.178 0.075 1
1395 131 131 LYS CE C 42.289 0.039 1
1396 133 133 LEU HA H 4.168 0.004 1
1397 133 133 LEU HB2 H 1.719 0.006 2
1398 133 133 LEU HB3 H 1.347 0.007 2
1399 133 133 LEU HG H 1.531 0.005 1
1400 133 133 LEU HD1 H 0.759 0.002 2
1401 133 133 LEU HD2 H 0.743 0.007 2
1402 133 133 LEU C C 171.619 0.000 1
1403 133 133 LEU CA C 57.157 0.035 1
1404 133 133 LEU CB C 42.035 0.075 1
1405 133 133 LEU CG C 28.613 0.051 1
1406 133 133 LEU CD1 C 25.313 0.064 2
1407 133 133 LEU CD2 C 23.817 0.058 2
1408 134 134 GLU H H 8.871 0.007 1
1409 134 134 GLU HA H 4.627 0.006 1
1410 134 134 GLU HB2 H 1.898 0.005 2
1411 134 134 GLU HB3 H 1.599 0.009 2
1412 134 134 GLU HG2 H 2.177 0.007 2
1413 134 134 GLU HG3 H 2.146 0.007 2
1414 134 134 GLU CA C 55.421 0.054 1
1415 134 134 GLU CB C 33.049 0.055 1
1416 134 134 GLU CG C 34.864 0.069 1
1417 134 134 GLU N N 125.309 0.030 1
1418 135 135 GLY H H 8.968 0.013 1
1419 135 135 GLY HA2 H 3.870 0.005 2
1420 135 135 GLY HA3 H 3.244 0.004 2
1421 135 135 GLY CA C 44.467 0.039 1
1422 136 136 VAL H H 6.646 0.004 1
1423 136 136 VAL HA H 4.770 0.016 1
1424 136 136 VAL HB H 1.811 0.003 1
1425 136 136 VAL HG1 H 0.989 0.003 2
1426 136 136 VAL HG2 H 0.913 0.003 2
1427 136 136 VAL CA C 62.124 0.058 1
1428 136 136 VAL CB C 34.866 0.058 1
1429 136 136 VAL CG1 C 22.193 0.050 2
1430 136 136 VAL CG2 C 22.311 0.096 2
1431 137 137 TRP H H 7.902 0.000 1
1432 137 137 TRP HA H 5.334 0.012 1
1433 137 137 TRP HB2 H 3.067 0.005 2
1434 137 137 TRP HB3 H 2.599 0.002 2
1435 137 137 TRP HD1 H 6.895 0.006 1
1436 137 137 TRP HE1 H 9.066 0.004 1
1437 137 137 TRP HE3 H 7.342 0.006 1
1438 137 137 TRP HZ2 H 7.075 0.003 1
1439 137 137 TRP HZ3 H 7.302 0.009 1
1440 137 137 TRP HH2 H 6.916 0.004 1
1441 137 137 TRP C C 173.162 0.000 1
1442 137 137 TRP CA C 55.624 0.080 1
1443 137 137 TRP CB C 32.854 0.051 1
1444 137 137 TRP CD1 C 126.622 0.019 1
1445 137 137 TRP CE3 C 119.818 0.024 1
1446 137 137 TRP CZ2 C 113.760 0.050 1
1447 137 137 TRP CZ3 C 124.020 0.001 1
1448 137 137 TRP CH2 C 125.188 0.067 1
1449 137 137 TRP NE1 N 123.618 0.000 1
1450 138 138 ILE H H 9.459 0.005 1
1451 138 138 ILE HB H 1.590 0.005 1
1452 138 138 ILE HG12 H 1.486 0.008 2
1453 138 138 ILE HG13 H 0.664 0.013 2
1454 138 138 ILE HG2 H 0.332 0.003 1
1455 138 138 ILE HD1 H 0.792 0.005 1
1456 138 138 ILE C C 176.515 0.000 1
1457 138 138 ILE CB C 41.764 0.041 1
1458 138 138 ILE CG1 C 27.621 0.053 1
1459 138 138 ILE CG2 C 17.531 0.017 1
1460 138 138 ILE CD1 C 14.725 0.062 1
1461 138 138 ILE N N 119.343 0.008 1
1462 139 139 PHE H H 8.969 0.004 1
1463 139 139 PHE HA H 5.477 0.009 1
1464 139 139 PHE HB2 H 3.056 0.008 2
1465 139 139 PHE HB3 H 2.972 0.009 2
1466 139 139 PHE HD1 H 6.168 0.003 3
1467 139 139 PHE HE1 H 5.455 0.004 3
1468 139 139 PHE HZ H 6.256 0.006 1
1469 139 139 PHE C C 174.692 0.000 1
1470 139 139 PHE CA C 53.066 0.097 1
1471 139 139 PHE CB C 41.029 0.048 1
1472 139 139 PHE CD1 C 129.001 0.030 3
1473 139 139 PHE CE1 C 130.024 0.070 3
1474 139 139 PHE CZ C 129.062 0.002 1
1475 139 139 PHE N N 125.207 0.055 1
1476 140 140 TYR H H 8.962 0.005 1
1477 140 140 TYR HA H 5.769 0.006 1
1478 140 140 TYR HB2 H 3.588 0.006 2
1479 140 140 TYR HB3 H 3.318 0.007 2
1480 140 140 TYR HD1 H 7.117 0.000 3
1481 140 140 TYR HE1 H 6.640 0.008 3
1482 140 140 TYR HE2 H 6.645 0.009 3
1483 140 140 TYR C C 177.142 0.000 1
1484 140 140 TYR CA C 56.415 0.067 1
1485 140 140 TYR CB C 39.768 0.063 1
1486 140 140 TYR CE1 C 118.636 0.460 3
1487 140 140 TYR CE2 C 118.119 0.017 3
1488 140 140 TYR N N 116.484 0.043 1
1489 141 141 GLU H H 9.247 0.005 1
1490 141 141 GLU HA H 4.418 0.005 1
1491 141 141 GLU HB2 H 2.529 0.004 2
1492 141 141 GLU HB3 H 2.381 0.007 2
1493 141 141 GLU HG2 H 2.647 0.006 2
1494 141 141 GLU HG3 H 2.336 0.007 2
1495 141 141 GLU C C 175.135 0.000 1
1496 141 141 GLU CA C 59.117 0.050 1
1497 141 141 GLU CB C 33.535 0.085 1
1498 141 141 GLU CG C 35.937 0.019 1
1499 141 141 GLU N N 122.355 0.031 1
1500 142 142 LEU H H 8.071 0.003 1
1501 142 142 LEU HA H 4.995 0.007 1
1502 142 142 LEU HB2 H 1.464 0.005 2
1503 142 142 LEU HG H 1.569 0.004 1
1504 142 142 LEU HD1 H 0.982 0.003 2
1505 142 142 LEU HD2 H 0.905 0.003 2
1506 142 142 LEU CA C 52.126 0.064 1
1507 142 142 LEU CB C 41.972 0.042 1
1508 142 142 LEU CG C 27.305 0.054 1
1509 142 142 LEU CD1 C 22.239 0.033 2
1510 142 142 LEU CD2 C 25.102 0.023 2
1511 142 142 LEU N N 113.380 0.031 1
1512 143 143 PRO HA H 4.163 0.006 1
1513 143 143 PRO HB2 H 2.444 0.006 2
1514 143 143 PRO HB3 H 1.821 0.005 2
1515 143 143 PRO HG2 H 2.047 0.005 2
1516 143 143 PRO HD2 H 3.680 0.005 2
1517 143 143 PRO HD3 H 3.617 0.005 2
1518 143 143 PRO C C 175.523 0.000 1
1519 143 143 PRO CA C 62.447 0.036 1
1520 143 143 PRO CB C 32.306 0.076 1
1521 143 143 PRO CG C 27.989 0.039 1
1522 143 143 PRO CD C 50.438 0.000 1
1523 144 144 ASN H H 9.686 0.005 1
1524 144 144 ASN HA H 3.159 0.005 1
1525 144 144 ASN HB2 H 2.719 0.006 2
1526 144 144 ASN HB3 H 2.558 0.008 2
1527 144 144 ASN HD21 H 7.389 0.001 2
1528 144 144 ASN HD22 H 6.763 0.003 2
1529 144 144 ASN C C 173.151 0.000 1
1530 144 144 ASN CA C 54.173 0.070 1
1531 144 144 ASN CB C 36.694 0.049 1
1532 144 144 ASN CG C 178.181 0.007 1
1533 144 144 ASN N N 112.883 0.014 1
1534 144 144 ASN ND2 N 112.539 0.021 1
1535 145 145 TYR H H 7.884 0.004 1
1536 145 145 TYR HA H 2.824 0.008 1
1537 145 145 TYR HB2 H 2.952 0.010 2
1538 145 145 TYR HB3 H 1.883 0.006 2
1539 145 145 TYR C C 174.818 0.000 1
1540 145 145 TYR CA C 55.045 0.046 1
1541 145 145 TYR CB C 33.741 0.069 1
1542 145 145 TYR N N 112.156 0.036 1
1543 146 146 ARG H H 6.143 0.002 1
1544 146 146 ARG HA H 4.856 0.007 1
1545 146 146 ARG HB2 H 1.914 0.010 2
1546 146 146 ARG HB3 H 1.603 0.009 2
1547 146 146 ARG HG2 H 1.615 0.002 2
1548 146 146 ARG HD2 H 3.244 0.002 2
1549 146 146 ARG HE H 7.047 0.004 1
1550 146 146 ARG C C 174.694 0.000 1
1551 146 146 ARG CA C 53.728 0.085 1
1552 146 146 ARG CB C 34.150 0.067 1
1553 146 146 ARG CG C 27.138 0.028 1
1554 146 146 ARG CD C 43.281 0.006 1
1555 146 146 ARG N N 116.539 0.015 1
1556 146 146 ARG NE N 85.194 0.008 1
1557 147 147 GLY H H 8.370 0.004 1
1558 147 147 GLY HA2 H 4.311 0.002 2
1559 147 147 GLY HA3 H 3.899 0.007 2
1560 147 147 GLY C C 173.775 0.000 1
1561 147 147 GLY CA C 44.330 0.076 1
1562 147 147 GLY N N 105.720 0.095 1
1563 148 148 ARG H H 8.606 0.010 1
1564 148 148 ARG HA H 4.080 0.006 1
1565 148 148 ARG HB2 H 1.815 0.008 2
1566 148 148 ARG HB3 H 1.671 0.007 2
1567 148 148 ARG HG2 H 1.818 0.008 2
1568 148 148 ARG HG3 H 1.500 0.006 2
1569 148 148 ARG HD2 H 3.268 0.006 2
1570 148 148 ARG HD3 H 3.130 0.009 2
1571 148 148 ARG HE H 7.539 0.006 1
1572 148 148 ARG CA C 57.679 0.078 1
1573 148 148 ARG CB C 30.777 0.091 1
1574 148 148 ARG CG C 27.517 0.081 1
1575 148 148 ARG CD C 43.437 0.044 1
1576 148 148 ARG N N 120.710 0.034 1
1577 148 148 ARG NE N 85.296 0.031 1
1578 149 149 GLN HA H 4.894 0.008 1
1579 149 149 GLN HB2 H 1.758 0.006 2
1580 149 149 GLN HB3 H 1.554 0.009 2
1581 149 149 GLN HG2 H 2.499 0.006 2
1582 149 149 GLN HG3 H 2.324 0.011 2
1583 149 149 GLN HE21 H 8.258 0.003 2
1584 149 149 GLN HE22 H 7.895 0.001 2
1585 149 149 GLN C C 170.258 0.000 1
1586 149 149 GLN CA C 53.845 0.064 1
1587 149 149 GLN CB C 32.461 0.098 1
1588 149 149 GLN CG C 34.700 0.050 1
1589 149 149 GLN NE2 N 113.410 0.035 1
1590 150 150 TYR H H 8.736 0.004 1
1591 150 150 TYR HA H 4.944 0.009 1
1592 150 150 TYR HB2 H 3.580 0.006 2
1593 150 150 TYR HB3 H 2.530 0.005 2
1594 150 150 TYR C C 174.124 0.000 1
1595 150 150 TYR CA C 56.217 0.073 1
1596 150 150 TYR CB C 41.178 0.098 1
1597 150 150 TYR N N 116.554 0.055 1
1598 151 151 LEU H H 8.283 0.003 1
1599 151 151 LEU HA H 4.582 0.005 1
1600 151 151 LEU HB2 H 1.903 0.006 2
1601 151 151 LEU HB3 H 1.188 0.006 2
1602 151 151 LEU HG H 1.359 0.008 1
1603 151 151 LEU HD1 H 0.772 0.006 2
1604 151 151 LEU HD2 H 0.744 0.006 2
1605 151 151 LEU C C 175.319 0.000 1
1606 151 151 LEU CA C 54.938 0.081 1
1607 151 151 LEU CB C 44.509 0.076 1
1608 151 151 LEU CG C 27.408 0.059 1
1609 151 151 LEU CD1 C 26.286 0.043 2
1610 151 151 LEU CD2 C 24.386 0.013 2
1611 151 151 LEU N N 125.603 0.021 1
1612 152 152 LEU H H 9.310 0.008 1
1613 152 152 LEU HD2 H -0.550 0.006 2
1614 152 152 LEU CA C 54.258 0.001 1
1615 152 152 LEU CD2 C 13.212 0.076 2
1616 152 152 LEU N N 130.999 0.053 1
1617 155 155 LYS C C 173.885 0.000 1
1618 156 156 GLU H H 7.969 0.007 1
1619 156 156 GLU HA H 3.947 0.006 1
1620 156 156 GLU HB2 H 1.927 0.009 2
1621 156 156 GLU HG2 H 2.441 0.006 2
1622 156 156 GLU HG3 H 2.051 0.005 2
1623 156 156 GLU CA C 57.320 0.066 1
1624 156 156 GLU CB C 29.489 0.062 1
1625 156 156 GLU CG C 33.950 0.065 1
1626 156 156 GLU N N 121.467 0.036 1
1627 157 157 TYR HA H 4.640 0.006 1
1628 157 157 TYR HB2 H 3.184 0.006 2
1629 157 157 TYR HB3 H 2.795 0.001 2
1630 157 157 TYR C C 174.756 0.000 1
1631 157 157 TYR CA C 56.571 0.091 1
1632 157 157 TYR CB C 42.419 0.075 1
1633 158 158 ARG H H 8.984 0.005 1
1634 158 158 ARG HA H 3.383 0.007 1
1635 158 158 ARG HB2 H 1.968 0.005 2
1636 158 158 ARG HB3 H 1.628 0.004 2
1637 158 158 ARG HG2 H 1.711 0.003 2
1638 158 158 ARG HD2 H 3.142 0.010 2
1639 158 158 ARG HE H 7.505 0.006 1
1640 158 158 ARG C C 176.545 0.000 1
1641 158 158 ARG CA C 59.742 0.085 1
1642 158 158 ARG CB C 31.249 0.047 1
1643 158 158 ARG CG C 30.436 0.078 1
1644 158 158 ARG CD C 43.050 0.020 1
1645 158 158 ARG N N 124.876 0.044 1
1646 158 158 ARG NE N 85.606 0.019 1
1647 159 159 LYS H H 7.874 0.007 1
1648 159 159 LYS HA H 5.284 0.005 1
1649 159 159 LYS HB2 H 1.945 0.005 2
1650 159 159 LYS HB3 H 1.570 0.005 2
1651 159 159 LYS HG2 H 1.338 0.005 2
1652 159 159 LYS HG3 H 1.190 0.003 2
1653 159 159 LYS HD2 H 1.573 0.053 2
1654 159 159 LYS HD3 H 1.610 0.006 2
1655 159 159 LYS HE2 H 2.893 0.006 2
1656 159 159 LYS HE3 H 2.877 0.002 2
1657 159 159 LYS CA C 53.272 0.038 1
1658 159 159 LYS CB C 33.930 0.057 1
1659 159 159 LYS CG C 23.994 0.049 1
1660 159 159 LYS CD C 29.187 0.058 1
1661 159 159 LYS CE C 42.169 0.025 1
1662 159 159 LYS N N 115.159 0.094 1
1663 160 160 PRO HA H 1.063 0.009 1
1664 160 160 PRO HB2 H 1.507 0.008 2
1665 160 160 PRO HB3 H 1.023 0.008 2
1666 160 160 PRO HG2 H 1.750 0.004 2
1667 160 160 PRO HG3 H 1.490 0.004 2
1668 160 160 PRO HD2 H 3.418 0.007 2
1669 160 160 PRO HD3 H 4.100 0.011 2
1670 160 160 PRO C C 177.632 0.000 1
1671 160 160 PRO CA C 63.725 0.075 1
1672 160 160 PRO CB C 31.344 0.060 1
1673 160 160 PRO CG C 27.203 0.072 1
1674 160 160 PRO CD C 49.653 0.067 1
1675 161 161 ILE H H 7.188 0.003 1
1676 161 161 ILE HA H 4.193 0.003 1
1677 161 161 ILE HB H 1.663 0.006 1
1678 161 161 ILE HG12 H 1.342 0.006 2
1679 161 161 ILE HG13 H 1.266 0.005 2
1680 161 161 ILE HG2 H 0.740 0.004 1
1681 161 161 ILE HD1 H 0.745 0.004 1
1682 161 161 ILE C C 178.499 0.000 1
1683 161 161 ILE CA C 60.861 0.069 1
1684 161 161 ILE CB C 37.641 0.018 1
1685 161 161 ILE CG1 C 29.074 0.046 1
1686 161 161 ILE CG2 C 18.214 0.055 1
1687 161 161 ILE CD1 C 13.769 0.017 1
1688 161 161 ILE N N 114.002 0.020 1
1689 162 162 ASP H H 8.157 0.006 1
1690 162 162 ASP HA H 4.596 0.004 1
1691 162 162 ASP HB2 H 3.295 0.009 2
1692 162 162 ASP HB3 H 3.134 0.008 2
1693 162 162 ASP C C 178.553 0.000 1
1694 162 162 ASP CA C 57.344 0.047 1
1695 162 162 ASP CB C 41.221 0.054 1
1696 162 162 ASP N N 123.951 0.030 1
1697 163 163 TRP H H 7.602 0.006 1
1698 163 163 TRP HA H 5.329 0.005 1
1699 163 163 TRP HB2 H 3.289 0.007 2
1700 163 163 TRP HB3 H 2.501 0.006 2
1701 163 163 TRP HD1 H 6.215 0.015 1
1702 163 163 TRP HE1 H 9.764 0.009 1
1703 163 163 TRP HE3 H 7.097 0.004 1
1704 163 163 TRP HZ2 H 7.290 0.003 1
1705 163 163 TRP HZ3 H 6.470 0.005 1
1706 163 163 TRP HH2 H 6.505 0.008 1
1707 163 163 TRP C C 175.636 0.000 1
1708 163 163 TRP CA C 57.306 0.061 1
1709 163 163 TRP CB C 26.986 0.061 1
1710 163 163 TRP CD1 C 127.233 0.061 1
1711 163 163 TRP CE3 C 120.891 0.028 1
1712 163 163 TRP CZ2 C 114.080 0.036 1
1713 163 163 TRP CZ3 C 119.640 0.022 1
1714 163 163 TRP CH2 C 123.201 0.019 1
1715 163 163 TRP N N 116.661 0.021 1
1716 163 163 TRP NE1 N 130.637 0.000 1
1717 164 164 GLY H H 7.820 0.003 1
1718 164 164 GLY HA2 H 4.565 0.004 2
1719 164 164 GLY HA3 H 3.765 0.003 2
1720 164 164 GLY C C 174.084 0.000 1
1721 164 164 GLY CA C 45.158 0.070 1
1722 164 164 GLY N N 107.973 0.016 1
1723 165 165 ALA H H 7.109 0.004 1
1724 165 165 ALA HA H 4.505 0.003 1
1725 165 165 ALA HB H 0.826 0.003 1
1726 165 165 ALA C C 176.237 0.000 1
1727 165 165 ALA CA C 51.445 0.040 1
1728 165 165 ALA CB C 22.940 0.069 1
1729 165 165 ALA N N 123.907 0.015 1
1730 166 166 ALA H H 8.683 0.003 1
1731 166 166 ALA HA H 4.206 0.005 1
1732 166 166 ALA HB H 1.436 0.003 1
1733 166 166 ALA C C 176.091 0.000 1
1734 166 166 ALA CA C 51.772 0.070 1
1735 166 166 ALA CB C 19.348 0.040 1
1736 166 166 ALA N N 122.220 0.014 1
1737 167 167 SER H H 7.643 0.003 1
1738 167 167 SER HA H 4.930 0.004 1
1739 167 167 SER HB2 H 4.159 0.004 2
1740 167 167 SER HB3 H 3.780 0.005 2
1741 167 167 SER CA C 55.352 0.080 1
1742 167 167 SER CB C 64.987 0.069 1
1743 167 167 SER N N 114.001 0.027 1
1744 168 168 PRO HA H 4.600 0.003 1
1745 168 168 PRO HB2 H 1.676 0.008 2
1746 168 168 PRO HB3 H 1.231 0.008 2
1747 168 168 PRO HG2 H 1.697 0.007 2
1748 168 168 PRO HG3 H 1.654 0.007 2
1749 168 168 PRO HD2 H 3.717 0.004 2
1750 168 168 PRO HD3 H 3.662 0.006 2
1751 168 168 PRO C C 174.056 0.000 1
1752 168 168 PRO CA C 62.858 0.074 1
1753 168 168 PRO CB C 30.436 0.073 1
1754 168 168 PRO CG C 26.734 0.025 1
1755 168 168 PRO CD C 49.645 0.022 1
1756 169 169 ALA H H 7.471 0.003 1
1757 169 169 ALA HA H 4.482 0.004 1
1758 169 169 ALA HB H 1.459 0.003 1
1759 169 169 ALA C C 176.023 0.000 1
1760 169 169 ALA CA C 53.842 0.041 1
1761 169 169 ALA CB C 18.418 0.038 1
1762 169 169 ALA N N 123.212 0.012 1
1763 170 170 VAL H H 7.297 0.004 1
1764 170 170 VAL HA H 4.472 0.008 1
1765 170 170 VAL HB H 1.612 0.004 1
1766 170 170 VAL HG1 H 0.798 0.008 2
1767 170 170 VAL HG2 H 0.482 0.002 2
1768 170 170 VAL C C 175.340 0.000 1
1769 170 170 VAL CA C 62.382 0.067 1
1770 170 170 VAL CB C 35.875 0.068 1
1771 170 170 VAL CG1 C 22.024 0.053 2
1772 170 170 VAL CG2 C 20.904 0.043 2
1773 170 170 VAL N N 126.093 0.015 1
1774 171 171 GLN H H 8.541 0.006 1
1775 171 171 GLN HA H 4.757 0.004 1
1776 171 171 GLN HB2 H 2.428 0.004 2
1777 171 171 GLN HB3 H 1.484 0.005 2
1778 171 171 GLN HG2 H 2.540 0.004 2
1779 171 171 GLN HG3 H 2.343 0.006 2
1780 171 171 GLN HE21 H 7.711 0.002 2
1781 171 171 GLN HE22 H 7.109 0.002 2
1782 171 171 GLN C C 175.155 0.000 1
1783 171 171 GLN CA C 55.500 0.036 1
1784 171 171 GLN CB C 33.884 0.064 1
1785 171 171 GLN CG C 36.332 0.058 1
1786 171 171 GLN CD C 180.294 0.005 1
1787 171 171 GLN N N 118.929 0.033 1
1788 171 171 GLN NE2 N 114.525 0.000 1
1789 172 172 SER H H 8.360 0.003 1
1790 172 172 SER HA H 4.562 0.004 1
1791 172 172 SER HB2 H 4.218 0.006 2
1792 172 172 SER C C 172.617 0.000 1
1793 172 172 SER CA C 59.131 0.035 1
1794 172 172 SER CB C 65.835 0.060 1
1795 172 172 SER N N 112.064 0.027 1
1796 173 173 PHE H H 8.937 0.003 1
1797 173 173 PHE HA H 6.374 0.006 1
1798 173 173 PHE HB2 H 3.734 0.004 2
1799 173 173 PHE HB3 H 3.519 0.006 2
1800 173 173 PHE HD1 H 6.985 0.008 3
1801 173 173 PHE HE1 H 7.252 0.014 3
1802 173 173 PHE HZ H 7.044 0.003 1
1803 173 173 PHE C C 173.971 0.000 1
1804 173 173 PHE CA C 56.848 0.045 1
1805 173 173 PHE CB C 43.417 0.049 1
1806 173 173 PHE CD1 C 132.329 0.040 3
1807 173 173 PHE CE1 C 131.155 0.026 3
1808 173 173 PHE CZ C 128.867 0.007 1
1809 173 173 PHE N N 111.679 0.025 1
1810 174 174 ARG H H 9.537 0.005 1
1811 174 174 ARG HA H 5.262 0.005 1
1812 174 174 ARG HB2 H 1.734 0.007 2
1813 174 174 ARG HB3 H 1.667 0.007 2
1814 174 174 ARG HG2 H 1.549 0.006 2
1815 174 174 ARG HG3 H 1.287 0.005 2
1816 174 174 ARG HD2 H 2.383 0.006 2
1817 174 174 ARG HD3 H 2.170 0.007 2
1818 174 174 ARG HE H 6.689 0.003 1
1819 174 174 ARG C C 173.574 0.000 1
1820 174 174 ARG CA C 54.676 0.051 1
1821 174 174 ARG CB C 34.337 0.016 1
1822 174 174 ARG CG C 26.000 0.044 1
1823 174 174 ARG CD C 43.211 0.071 1
1824 174 174 ARG N N 115.999 0.015 1
1825 174 174 ARG NE N 84.010 0.004 1
1826 175 175 ARG H H 8.487 0.005 1
1827 175 175 ARG HA H 3.566 0.009 1
1828 175 175 ARG HB2 H 0.810 0.006 2
1829 175 175 ARG HB3 H 0.170 0.009 2
1830 175 175 ARG HG2 H 0.557 0.007 2
1831 175 175 ARG HD2 H 2.804 0.009 2
1832 175 175 ARG HE H 6.747 0.006 1
1833 175 175 ARG C C 177.412 0.000 1
1834 175 175 ARG CA C 54.697 0.064 1
1835 175 175 ARG CB C 29.868 0.077 1
1836 175 175 ARG CG C 23.934 0.042 1
1837 175 175 ARG CD C 43.147 0.029 1
1838 175 175 ARG N N 121.774 0.040 1
1839 175 175 ARG NE N 85.467 0.019 1
1840 176 176 ILE H H 7.880 0.004 1
1841 176 176 ILE HA H 4.052 0.004 1
1842 176 176 ILE HB H 1.635 0.003 1
1843 176 176 ILE HG12 H 1.387 0.007 2
1844 176 176 ILE HG13 H 0.891 0.007 2
1845 176 176 ILE HG2 H 0.770 0.005 1
1846 176 176 ILE HD1 H 0.661 0.002 1
1847 176 176 ILE CA C 62.242 0.063 1
1848 176 176 ILE CB C 36.220 0.068 1
1849 176 176 ILE CG1 C 27.025 0.067 1
1850 176 176 ILE CG2 C 17.945 0.039 1
1851 176 176 ILE CD1 C 13.979 0.058 1
1852 176 176 ILE N N 121.395 0.021 1
1853 177 177 VAL H H 8.076 0.006 1
1854 177 177 VAL HA H 4.195 0.004 1
1855 177 177 VAL HB H 1.990 0.003 1
1856 177 177 VAL HG1 H 0.578 0.003 2
1857 177 177 VAL HG2 H 0.582 0.001 2
1858 177 177 VAL C C 174.676 0.000 1
1859 177 177 VAL CA C 60.965 0.083 1
1860 177 177 VAL CB C 33.724 0.049 1
1861 177 177 VAL CG1 C 21.091 0.089 2
1862 177 177 VAL CG2 C 19.408 0.037 2
1863 177 177 VAL N N 124.695 0.032 1
1864 178 178 GLU H H 7.919 0.003 1
1865 178 178 GLU HA H 4.098 0.003 1
1866 178 178 GLU HB2 H 1.982 0.005 2
1867 178 178 GLU HB3 H 1.844 0.004 2
1868 178 178 GLU HG2 H 2.205 0.005 2
1869 178 178 GLU HG3 H 2.162 0.004 2
1870 178 178 GLU CA C 57.743 0.060 1
1871 178 178 GLU CB C 31.365 0.058 1
1872 178 178 GLU CG C 36.062 0.000 1
1873 178 178 GLU N N 127.921 0.017 1
stop_
save_