data_15914
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone 1H, 13C and 15N Chemical Shift Assignments for Binder of Arl2 (BART)
;
_BMRB_accession_number 15914
_BMRB_flat_file_name bmr15914.str
_Entry_type original
_Submission_date 2008-08-08
_Accession_date 2008-08-08
_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 Bailey Laura K. .
2 Campbell Louise J. .
3 Evetts Katrina A. .
4 Littlefield Keily . .
5 Rajendra Eeson . .
6 Nietlispach Daniel . .
7 Owen Darerca . .
8 Mott Helen R. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 766
"13C chemical shifts" 576
"15N chemical shifts" 133
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-05-27 update BMRB 'update entity/assembly name'
2009-02-27 update BMRB 'complete entry citation'
2008-11-19 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'The structure of binder of Arl2 (BART) reveals a novel G protein binding domain: Implications for function.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 18981177
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Bailey Laura K. .
2 Campbell Louise J. .
3 Evetts Katrina A. .
4 Littlefield Keily . .
5 Rajendra Eeson . .
6 Nietlispach Daniel . .
7 Owen Darerca . .
8 Mott Helen R. .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_volume 284
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 992
_Page_last 999
_Year 2009
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Binder of Arl2'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Binder of Arl2' $entity
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Binder of Arl2'
_Molecular_mass 16024.985
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 137
_Mol_residue_sequence
;
HMDALEGESFALSFSSASDA
EFDAVVGYLEDIIMDDEFQL
LQRNFMDKYYLEFEDTEENK
LIYTPIFNEYISLVEKYIEE
QLLQRIPEFNMAAFTTTLQH
HKDEVAGDIFDMLLTFTDFL
AFKEMFLDYRAEKEGRG
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 0 HIS 2 1 MET 3 2 ASP 4 3 ALA 5 4 LEU
6 5 GLU 7 6 GLY 8 7 GLU 9 8 SER 10 9 PHE
11 10 ALA 12 11 LEU 13 12 SER 14 13 PHE 15 14 SER
16 15 SER 17 16 ALA 18 17 SER 19 18 ASP 20 19 ALA
21 20 GLU 22 21 PHE 23 22 ASP 24 23 ALA 25 24 VAL
26 25 VAL 27 26 GLY 28 27 TYR 29 28 LEU 30 29 GLU
31 30 ASP 32 31 ILE 33 32 ILE 34 33 MET 35 34 ASP
36 35 ASP 37 36 GLU 38 37 PHE 39 38 GLN 40 39 LEU
41 40 LEU 42 41 GLN 43 42 ARG 44 43 ASN 45 44 PHE
46 45 MET 47 46 ASP 48 47 LYS 49 48 TYR 50 49 TYR
51 50 LEU 52 51 GLU 53 52 PHE 54 53 GLU 55 54 ASP
56 55 THR 57 56 GLU 58 57 GLU 59 58 ASN 60 59 LYS
61 60 LEU 62 61 ILE 63 62 TYR 64 63 THR 65 64 PRO
66 65 ILE 67 66 PHE 68 67 ASN 69 68 GLU 70 69 TYR
71 70 ILE 72 71 SER 73 72 LEU 74 73 VAL 75 74 GLU
76 75 LYS 77 76 TYR 78 77 ILE 79 78 GLU 80 79 GLU
81 80 GLN 82 81 LEU 83 82 LEU 84 83 GLN 85 84 ARG
86 85 ILE 87 86 PRO 88 87 GLU 89 88 PHE 90 89 ASN
91 90 MET 92 91 ALA 93 92 ALA 94 93 PHE 95 94 THR
96 95 THR 97 96 THR 98 97 LEU 99 98 GLN 100 99 HIS
101 100 HIS 102 101 LYS 103 102 ASP 104 103 GLU 105 104 VAL
106 105 ALA 107 106 GLY 108 107 ASP 109 108 ILE 110 109 PHE
111 110 ASP 112 111 MET 113 112 LEU 114 113 LEU 115 114 THR
116 115 PHE 117 116 THR 118 117 ASP 119 118 PHE 120 119 LEU
121 120 ALA 122 121 PHE 123 122 LYS 124 123 GLU 125 124 MET
126 125 PHE 127 126 LEU 128 127 ASP 129 128 TYR 130 129 ARG
131 130 ALA 132 131 GLU 133 132 LYS 134 133 GLU 135 134 GLY
136 135 ARG 137 136 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-10-07
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2K9A "The Solution Structure Of The Arl2 Effector, Bart" 100.00 137 100.00 100.00 4.69e-92
PDB 3DOE "Complex Of Arl2 And Bart, Crystal Form 1" 99.27 165 100.00 100.00 2.37e-91
PDB 3DOF "Complex Of Arl2 And Bart, Crystal Form 2" 99.27 165 100.00 100.00 2.37e-91
DBJ BAE00391 "unnamed protein product [Macaca fascicularis]" 99.27 163 97.79 97.79 1.71e-88
DBJ BAG52057 "unnamed protein product [Homo sapiens]" 99.27 163 100.00 100.00 2.31e-91
DBJ BAG60900 "unnamed protein product [Homo sapiens]" 71.53 141 100.00 100.00 2.86e-62
DBJ BAK62297 "ADP-ribosylation factor-like protein 2-binding protein [Pan troglodytes]" 99.27 163 100.00 100.00 2.31e-91
EMBL CAH91552 "hypothetical protein [Pongo abelii]" 99.27 163 97.79 97.79 2.82e-88
GB AAD20633 "Arf-like 2 binding protein BART1 [Homo sapiens]" 99.27 163 100.00 100.00 2.31e-91
GB AAH03087 "ADP-ribosylation factor-like 2 binding protein [Homo sapiens]" 99.27 163 100.00 100.00 2.31e-91
GB AIC50989 "ARL2BP, partial [synthetic construct]" 99.27 163 100.00 100.00 2.31e-91
GB EAW82913 "ADP-ribosylation factor-like 2 binding protein, isoform CRA_a [Homo sapiens]" 99.27 163 100.00 100.00 2.31e-91
GB EAW82914 "ADP-ribosylation factor-like 2 binding protein, isoform CRA_a [Homo sapiens]" 99.27 163 100.00 100.00 2.31e-91
REF NP_001125911 "ADP-ribosylation factor-like protein 2-binding protein [Pongo abelii]" 99.27 163 97.79 97.79 2.82e-88
REF NP_001233387 "ADP-ribosylation factor-like protein 2-binding protein [Pan troglodytes]" 99.27 163 100.00 100.00 2.31e-91
REF NP_001253957 "ADP-ribosylation factor-like protein 2-binding protein [Macaca mulatta]" 99.27 163 97.79 97.79 1.71e-88
REF NP_001271553 "ADP-ribosylation factor-like protein 2-binding protein [Macaca fascicularis]" 99.27 163 97.79 97.79 1.71e-88
REF NP_036238 "ADP-ribosylation factor-like protein 2-binding protein [Homo sapiens]" 99.27 163 100.00 100.00 2.31e-91
SP Q4R930 "RecName: Full=ADP-ribosylation factor-like protein 2-binding protein; Short=ARF-like 2-binding protein" 99.27 163 97.79 97.79 1.71e-88
SP Q5R9K8 "RecName: Full=ADP-ribosylation factor-like protein 2-binding protein; Short=ARF-like 2-binding protein" 99.27 163 97.79 97.79 2.82e-88
SP Q9Y2Y0 "RecName: Full=ADP-ribosylation factor-like protein 2-binding protein; Short=ARF-like 2-binding protein; Short=ARL2-binding prot" 99.27 163 100.00 100.00 2.31e-91
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity Human 9606 Eukaryota Metazoa Homo sapiens
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
$entity 'recombinant technology' . Escherichia coli . 'pET 16b'
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 1 mM '[U-100% 15N]'
D2O 10 % 'natural abundance'
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
'sodium azide' 0.05 % 'natural abundance'
H2O 90 % 'natural abundance'
stop_
save_
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 1 mM '[U-100% 13C; U-100% 15N]'
D2O 10 % 'natural abundance'
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
'sodium azide' 0.05 % 'natural abundance'
H2O 90 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_ARIA
_Saveframe_category software
_Name ARIA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Linge, O'Donoghue and Nilges' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_CcpNmr_Analysis
_Saveframe_category software
_Name ANALYSIS
_Version .
loop_
_Vendor
_Address
_Electronic_address
CCPN . .
stop_
loop_
_Task
'chemical shift assignment'
'chemical shift calculation'
'peak picking'
stop_
_Details .
save_
save_AZARA
_Saveframe_category software
_Name AZARA
_Version .
loop_
_Vendor
_Address
_Electronic_address
Boucher . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'Torsion angle prediction'
stop_
_Details .
save_
save_Tensor2
_Saveframe_category software
_Name Tensor2
_Version .
loop_
_Vendor
_Address
_Electronic_address
'P. Dosset, J-C. Hus, M. Blackledge, D. Marion' . .
stop_
loop_
_Task
'Model free analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_2
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_2
save_
save_3D_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HN(CO)CA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_3D_HNCACB_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HN(CO)CACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CACB'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_2
save_
save_3D_1H-15N_TOCSY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY'
_Sample_label $sample_2
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 20 . mM
pH 6 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0 internal direct . . . 1
DSS N 15 'methyl protons' ppm 0 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_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D HNCA'
'3D HN(CO)CA'
'3D HNCACB'
'3D HN(CO)CACB'
'3D 1H-13C NOESY'
'3D HCCH-TOCSY'
'3D 1H-15N NOESY'
'3D 1H-15N TOCSY'
stop_
loop_
_Sample_label
$sample_2
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'Binder of Arl2'
_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 13 14 PHE CA C 58.199 0.000 1
2 13 14 PHE CB C 39.717 0.000 1
3 14 15 SER H H 8.299 0.004 1
4 14 15 SER HA H 4.359 0.001 1
5 14 15 SER HB2 H 3.793 0.003 2
6 14 15 SER HB3 H 3.876 0.001 2
7 14 15 SER CA C 58.249 0.078 1
8 14 15 SER CB C 63.936 0.034 1
9 14 15 SER N N 117.379 0.034 1
10 15 16 SER H H 8.255 0.007 1
11 15 16 SER HA H 3.729 0.025 1
12 15 16 SER HB2 H 4.364 0.000 1
13 15 16 SER HB3 H 4.364 0.000 1
14 15 16 SER CA C 58.224 0.130 1
15 15 16 SER CB C 63.886 0.042 1
16 15 16 SER N N 117.694 0.046 1
17 16 17 ALA H H 8.333 0.066 1
18 16 17 ALA HA H 4.252 0.003 1
19 16 17 ALA HB H 1.337 0.026 1
20 16 17 ALA CA C 53.377 0.135 1
21 16 17 ALA CB C 18.896 0.050 1
22 16 17 ALA N N 125.462 0.065 1
23 17 18 SER H H 8.219 0.010 1
24 17 18 SER HA H 4.332 0.003 1
25 17 18 SER HB2 H 3.796 0.001 2
26 17 18 SER HB3 H 3.879 0.004 2
27 17 18 SER CA C 59.105 0.259 1
28 17 18 SER CB C 63.592 0.098 1
29 17 18 SER N N 114.821 0.022 1
30 18 19 ASP H H 8.309 0.009 1
31 18 19 ASP HA H 4.554 0.003 1
32 18 19 ASP HB2 H 2.635 0.011 2
33 18 19 ASP HB3 H 2.766 0.005 2
34 18 19 ASP C C 176.528 0.000 1
35 18 19 ASP CA C 55.272 0.057 1
36 18 19 ASP CB C 40.883 0.074 1
37 18 19 ASP N N 123.367 0.042 1
38 19 20 ALA H H 8.133 0.019 1
39 19 20 ALA HA H 4.170 0.017 1
40 19 20 ALA HB H 1.395 0.014 1
41 19 20 ALA C C 179.857 0.000 1
42 19 20 ALA CA C 54.341 0.052 1
43 19 20 ALA CB C 18.660 0.055 1
44 19 20 ALA N N 123.350 0.049 1
45 20 21 GLU H H 8.140 0.008 1
46 20 21 GLU HA H 4.128 0.007 1
47 20 21 GLU HB2 H 2.081 0.016 1
48 20 21 GLU HB3 H 2.081 0.016 1
49 20 21 GLU HG2 H 2.251 0.015 2
50 20 21 GLU HG3 H 2.306 0.003 2
51 20 21 GLU C C 177.675 0.000 1
52 20 21 GLU CA C 58.520 0.048 1
53 20 21 GLU CB C 29.765 0.044 1
54 20 21 GLU CG C 36.645 0.018 1
55 20 21 GLU N N 119.063 0.070 1
56 21 22 PHE H H 8.009 0.006 1
57 21 22 PHE HA H 4.123 0.009 1
58 21 22 PHE HB2 H 2.965 0.004 2
59 21 22 PHE HB3 H 3.107 0.002 2
60 21 22 PHE HD1 H 7.076 0.005 3
61 21 22 PHE HD2 H 7.076 0.005 3
62 21 22 PHE HE1 H 6.795 0.002 3
63 21 22 PHE HE2 H 6.795 0.002 3
64 21 22 PHE C C 176.410 0.000 1
65 21 22 PHE CA C 62.202 0.065 1
66 21 22 PHE CB C 39.223 0.026 1
67 21 22 PHE CD1 C 132.202 0.066 3
68 21 22 PHE CD2 C 132.202 0.066 3
69 21 22 PHE CE1 C 130.817 0.039 3
70 21 22 PHE CE2 C 130.817 0.039 3
71 21 22 PHE N N 121.211 0.035 1
72 22 23 ASP H H 8.261 0.007 1
73 22 23 ASP HA H 4.041 0.007 1
74 22 23 ASP HB2 H 2.531 0.015 2
75 22 23 ASP HB3 H 2.567 0.015 2
76 22 23 ASP C C 179.078 0.000 1
77 22 23 ASP CA C 57.048 0.065 1
78 22 23 ASP CB C 40.154 0.038 1
79 22 23 ASP N N 116.876 0.064 1
80 23 24 ALA H H 7.651 0.009 1
81 23 24 ALA HA H 3.785 0.003 1
82 23 24 ALA HB H 1.302 0.006 1
83 23 24 ALA C C 179.577 0.000 1
84 23 24 ALA CA C 54.341 0.038 1
85 23 24 ALA CB C 17.762 0.079 1
86 23 24 ALA N N 121.873 0.033 1
87 24 25 VAL H H 7.718 0.012 1
88 24 25 VAL HA H 3.216 0.012 1
89 24 25 VAL HB H 1.915 0.008 1
90 24 25 VAL HG1 H 0.101 0.006 2
91 24 25 VAL HG2 H 0.906 0.003 2
92 24 25 VAL C C 177.805 0.000 1
93 24 25 VAL CA C 66.789 0.055 1
94 24 25 VAL CB C 31.277 0.045 1
95 24 25 VAL CG1 C 22.082 0.050 2
96 24 25 VAL CG2 C 23.009 0.088 2
97 24 25 VAL N N 117.890 0.035 1
98 25 26 VAL H H 7.867 0.005 1
99 25 26 VAL HA H 3.274 0.006 1
100 25 26 VAL HB H 1.810 0.006 1
101 25 26 VAL HG1 H 0.581 0.007 2
102 25 26 VAL HG2 H 0.783 0.005 2
103 25 26 VAL C C 177.788 0.000 1
104 25 26 VAL CA C 67.282 0.066 1
105 25 26 VAL CB C 31.266 0.043 1
106 25 26 VAL CG1 C 23.344 0.039 2
107 25 26 VAL CG2 C 21.717 0.041 2
108 25 26 VAL N N 118.170 0.027 1
109 26 27 GLY H H 7.544 0.009 1
110 26 27 GLY HA2 H 3.592 0.004 2
111 26 27 GLY HA3 H 3.721 0.004 2
112 26 27 GLY C C 176.717 0.000 1
113 26 27 GLY CA C 47.085 0.040 1
114 26 27 GLY N N 105.795 0.042 1
115 27 28 TYR H H 7.625 0.006 1
116 27 28 TYR HA H 4.546 0.006 1
117 27 28 TYR HB2 H 2.745 0.011 2
118 27 28 TYR HB3 H 2.763 0.010 2
119 27 28 TYR HD1 H 6.894 0.004 3
120 27 28 TYR HD2 H 6.894 0.004 3
121 27 28 TYR HE1 H 6.640 0.002 3
122 27 28 TYR HE2 H 6.640 0.002 3
123 27 28 TYR C C 178.991 0.000 1
124 27 28 TYR CA C 58.845 0.042 1
125 27 28 TYR CB C 37.602 0.041 1
126 27 28 TYR CD1 C 132.093 0.094 3
127 27 28 TYR CD2 C 132.093 0.094 3
128 27 28 TYR CE1 C 118.002 0.052 3
129 27 28 TYR CE2 C 118.002 0.052 3
130 27 28 TYR N N 119.933 0.058 1
131 28 29 LEU H H 8.517 0.013 1
132 28 29 LEU HA H 3.728 0.004 1
133 28 29 LEU HB2 H 1.322 0.006 2
134 28 29 LEU HB3 H 1.812 0.005 2
135 28 29 LEU HD1 H 0.616 0.004 2
136 28 29 LEU HD2 H 0.619 0.004 2
137 28 29 LEU HG H 1.507 0.002 1
138 28 29 LEU CA C 58.281 0.076 1
139 28 29 LEU CB C 41.948 0.064 1
140 28 29 LEU CD1 C 24.882 0.033 2
141 28 29 LEU CD2 C 26.293 0.056 2
142 28 29 LEU CG C 26.923 0.016 1
143 28 29 LEU N N 119.669 0.027 1
144 29 30 GLU H H 8.072 0.006 1
145 29 30 GLU HA H 3.722 0.005 1
146 29 30 GLU HB2 H 1.966 0.006 2
147 29 30 GLU HB3 H 2.100 0.019 2
148 29 30 GLU HG2 H 2.192 0.005 2
149 29 30 GLU HG3 H 2.376 0.009 2
150 29 30 GLU C C 177.731 0.000 1
151 29 30 GLU CA C 59.763 0.065 1
152 29 30 GLU CB C 28.844 0.054 1
153 29 30 GLU CG C 35.609 0.046 1
154 29 30 GLU N N 117.666 0.079 1
155 30 31 ASP H H 7.243 0.015 1
156 30 31 ASP HA H 4.297 0.007 1
157 30 31 ASP HB2 H 2.647 0.003 2
158 30 31 ASP HB3 H 2.824 0.027 2
159 30 31 ASP CA C 56.953 0.031 1
160 30 31 ASP CB C 40.730 0.021 1
161 30 31 ASP N N 116.720 0.033 1
162 31 32 ILE H H 7.940 0.012 1
163 31 32 ILE HA H 3.640 0.013 1
164 31 32 ILE HB H 1.604 0.014 1
165 31 32 ILE HD1 H 0.431 0.002 1
166 31 32 ILE HG12 H 0.819 0.009 2
167 31 32 ILE HG13 H 1.644 0.011 2
168 31 32 ILE HG2 H 0.576 0.005 1
169 31 32 ILE C C 177.980 0.000 1
170 31 32 ILE CA C 64.692 0.030 1
171 31 32 ILE CB C 38.938 0.061 1
172 31 32 ILE CD1 C 15.105 0.031 1
173 31 32 ILE CG1 C 28.995 0.045 1
174 31 32 ILE CG2 C 17.341 0.019 1
175 31 32 ILE N N 119.728 0.059 1
176 32 33 ILE H H 7.984 0.015 1
177 32 33 ILE HA H 3.598 0.004 1
178 32 33 ILE HB H 1.696 0.008 1
179 32 33 ILE HD1 H 0.564 0.003 1
180 32 33 ILE HG12 H 0.954 0.006 2
181 32 33 ILE HG13 H 1.200 0.011 2
182 32 33 ILE HG2 H 0.555 0.006 1
183 32 33 ILE C C 176.723 0.000 1
184 32 33 ILE CA C 63.241 0.030 1
185 32 33 ILE CB C 37.580 0.067 1
186 32 33 ILE CD1 C 14.007 0.043 1
187 32 33 ILE CG1 C 27.754 0.060 1
188 32 33 ILE CG2 C 17.166 0.057 1
189 32 33 ILE N N 113.919 0.025 1
190 33 34 MET H H 7.288 0.008 1
191 33 34 MET HA H 4.496 0.005 1
192 33 34 MET HB2 H 2.080 0.011 2
193 33 34 MET HB3 H 2.120 0.018 2
194 33 34 MET HE H 2.011 0.000 1
195 33 34 MET HG2 H 2.568 0.005 2
196 33 34 MET HG3 H 2.720 0.003 2
197 33 34 MET C C 176.423 0.000 1
198 33 34 MET CA C 54.634 0.057 1
199 33 34 MET CB C 31.934 0.081 1
200 33 34 MET CE C 16.684 0.000 1
201 33 34 MET CG C 32.551 0.032 1
202 33 34 MET N N 115.130 0.038 1
203 34 35 ASP H H 7.405 0.006 1
204 34 35 ASP HA H 4.484 0.003 1
205 34 35 ASP HB2 H 2.866 0.006 2
206 34 35 ASP HB3 H 3.048 0.013 2
207 34 35 ASP C C 177.139 0.000 1
208 34 35 ASP CA C 54.625 0.019 1
209 34 35 ASP CB C 43.554 0.058 1
210 34 35 ASP N N 121.814 0.031 1
211 35 36 ASP H H 8.765 0.005 1
212 35 36 ASP HA H 4.235 0.002 1
213 35 36 ASP HB2 H 2.597 0.004 1
214 35 36 ASP HB3 H 2.597 0.004 1
215 35 36 ASP C C 178.320 0.000 1
216 35 36 ASP CA C 57.832 0.039 1
217 35 36 ASP CB C 40.914 0.018 1
218 35 36 ASP N N 125.883 0.034 1
219 36 37 GLU H H 8.905 0.008 1
220 36 37 GLU HA H 3.933 0.004 1
221 36 37 GLU HB2 H 2.070 0.015 2
222 36 37 GLU HB3 H 2.071 0.012 2
223 36 37 GLU HG2 H 2.209 0.016 2
224 36 37 GLU HG3 H 2.287 0.021 2
225 36 37 GLU C C 179.304 0.000 1
226 36 37 GLU CA C 59.828 0.053 1
227 36 37 GLU CB C 29.380 0.039 1
228 36 37 GLU CG C 36.610 0.007 1
229 36 37 GLU N N 119.077 0.035 1
230 37 38 PHE H H 7.460 0.008 1
231 37 38 PHE HA H 3.642 0.013 1
232 37 38 PHE HB2 H 3.113 0.010 2
233 37 38 PHE HB3 H 3.270 0.004 2
234 37 38 PHE HD1 H 7.075 0.004 3
235 37 38 PHE HD2 H 7.075 0.004 3
236 37 38 PHE HE1 H 7.087 0.003 3
237 37 38 PHE HE2 H 7.087 0.003 3
238 37 38 PHE HZ H 7.048 0.001 1
239 37 38 PHE C C 176.483 0.000 1
240 37 38 PHE CA C 61.411 0.026 1
241 37 38 PHE CB C 39.355 0.065 1
242 37 38 PHE CD1 C 132.329 0.074 3
243 37 38 PHE CD2 C 132.329 0.074 3
244 37 38 PHE CE1 C 130.681 0.044 3
245 37 38 PHE CE2 C 130.681 0.044 3
246 37 38 PHE CZ C 128.962 0.025 1
247 37 38 PHE N N 119.968 0.034 1
248 38 39 GLN H H 7.968 0.009 1
249 38 39 GLN HA H 3.712 0.005 1
250 38 39 GLN HB2 H 2.006 0.008 2
251 38 39 GLN HB3 H 2.077 0.027 2
252 38 39 GLN HE21 H 6.924 0.009 1
253 38 39 GLN HE22 H 7.708 0.005 1
254 38 39 GLN HG2 H 2.476 0.018 2
255 38 39 GLN HG3 H 2.587 0.008 2
256 38 39 GLN CA C 59.153 0.045 1
257 38 39 GLN CB C 28.213 0.046 1
258 38 39 GLN CG C 34.361 0.036 1
259 38 39 GLN N N 116.433 0.047 1
260 38 39 GLN NE2 N 112.645 0.055 1
261 39 40 LEU H H 7.930 0.012 1
262 39 40 LEU HA H 3.916 0.020 1
263 39 40 LEU HB2 H 1.545 0.012 1
264 39 40 LEU HB3 H 1.545 0.012 1
265 39 40 LEU HD1 H 0.797 0.006 2
266 39 40 LEU HD2 H 0.798 0.005 2
267 39 40 LEU HG H 1.539 0.010 1
268 39 40 LEU C C 177.731 0.000 1
269 39 40 LEU CA C 57.915 0.025 1
270 39 40 LEU CB C 41.989 0.022 1
271 39 40 LEU CD1 C 24.359 0.147 2
272 39 40 LEU CD2 C 24.339 0.153 2
273 39 40 LEU CG C 26.807 0.025 1
274 39 40 LEU N N 119.505 0.033 1
275 40 41 LEU H H 7.174 0.006 1
276 40 41 LEU HA H 3.835 0.008 1
277 40 41 LEU HB2 H 1.369 0.018 2
278 40 41 LEU HB3 H 1.468 0.011 2
279 40 41 LEU HD1 H 0.410 0.003 2
280 40 41 LEU HD2 H 0.618 0.008 2
281 40 41 LEU HG H 1.343 0.016 1
282 40 41 LEU C C 179.738 0.000 1
283 40 41 LEU CA C 58.266 0.030 1
284 40 41 LEU CB C 42.050 0.032 1
285 40 41 LEU CD1 C 25.891 0.061 2
286 40 41 LEU CD2 C 24.826 0.034 2
287 40 41 LEU CG C 26.310 0.048 1
288 40 41 LEU N N 120.971 0.036 1
289 41 42 GLN H H 8.058 0.007 1
290 41 42 GLN HA H 3.556 0.004 1
291 41 42 GLN HB2 H 1.340 0.004 2
292 41 42 GLN HB3 H 1.756 0.007 2
293 41 42 GLN HE21 H 6.602 0.007 1
294 41 42 GLN HE22 H 7.002 0.016 1
295 41 42 GLN HG2 H 1.879 0.005 2
296 41 42 GLN HG3 H 1.995 0.004 2
297 41 42 GLN C C 177.642 0.000 1
298 41 42 GLN CA C 59.826 0.054 1
299 41 42 GLN CB C 28.762 0.037 1
300 41 42 GLN CG C 33.948 0.035 1
301 41 42 GLN N N 117.899 0.060 1
302 41 42 GLN NE2 N 109.658 0.055 1
303 42 43 ARG H H 8.179 0.006 1
304 42 43 ARG HA H 3.655 0.003 1
305 42 43 ARG HB2 H 1.800 0.019 2
306 42 43 ARG HB3 H 1.824 0.016 2
307 42 43 ARG HD2 H 3.137 0.004 1
308 42 43 ARG HD3 H 3.137 0.004 1
309 42 43 ARG HG2 H 1.552 0.009 2
310 42 43 ARG HG3 H 1.552 0.009 2
311 42 43 ARG C C 178.051 0.000 1
312 42 43 ARG CA C 59.766 0.058 1
313 42 43 ARG CB C 29.941 0.040 1
314 42 43 ARG CD C 43.294 0.148 1
315 42 43 ARG CG C 27.540 0.134 1
316 42 43 ARG N N 119.392 0.030 1
317 43 44 ASN H H 8.525 0.005 1
318 43 44 ASN HA H 4.332 0.003 1
319 43 44 ASN HB2 H 2.644 0.004 2
320 43 44 ASN HB3 H 2.941 0.005 2
321 43 44 ASN HD21 H 6.642 0.009 1
322 43 44 ASN HD22 H 7.535 0.010 1
323 43 44 ASN C C 178.150 0.000 1
324 43 44 ASN CA C 55.841 0.061 1
325 43 44 ASN CB C 37.632 0.030 1
326 43 44 ASN N N 116.214 0.027 1
327 43 44 ASN ND2 N 110.728 0.093 1
328 44 45 PHE H H 7.586 0.008 1
329 44 45 PHE HA H 4.132 0.021 1
330 44 45 PHE HB2 H 3.135 0.008 2
331 44 45 PHE HB3 H 3.260 0.008 2
332 44 45 PHE HD1 H 7.349 0.004 3
333 44 45 PHE HD2 H 7.349 0.004 3
334 44 45 PHE HE1 H 7.531 0.011 3
335 44 45 PHE HE2 H 7.531 0.011 3
336 44 45 PHE C C 176.691 0.000 1
337 44 45 PHE CA C 62.333 0.038 1
338 44 45 PHE CB C 39.449 0.066 1
339 44 45 PHE CD1 C 132.170 0.083 3
340 44 45 PHE CD2 C 132.170 0.083 3
341 44 45 PHE CE1 C 131.378 0.045 3
342 44 45 PHE CE2 C 131.378 0.045 3
343 44 45 PHE N N 121.501 0.031 1
344 45 46 MET H H 8.190 0.010 1
345 45 46 MET HA H 4.060 0.011 1
346 45 46 MET HB2 H 0.502 0.005 2
347 45 46 MET HB3 H 1.365 0.023 2
348 45 46 MET HE H 0.767 0.005 1
349 45 46 MET HG2 H 1.826 0.013 2
350 45 46 MET HG3 H 2.139 0.004 2
351 45 46 MET C C 179.754 0.000 1
352 45 46 MET CA C 57.742 0.065 1
353 45 46 MET CB C 29.912 0.051 1
354 45 46 MET CE C 16.197 0.038 1
355 45 46 MET CG C 31.309 0.022 1
356 45 46 MET N N 116.727 0.046 1
357 46 47 ASP H H 8.579 0.007 1
358 46 47 ASP HA H 4.804 0.009 1
359 46 47 ASP HB2 H 2.612 0.007 2
360 46 47 ASP HB3 H 2.766 0.003 2
361 46 47 ASP C C 177.854 0.000 1
362 46 47 ASP CA C 57.277 0.066 1
363 46 47 ASP CB C 40.776 0.047 1
364 46 47 ASP N N 117.798 0.030 1
365 47 48 LYS H H 7.339 0.005 1
366 47 48 LYS HA H 3.828 0.016 1
367 47 48 LYS HB2 H 1.221 0.014 2
368 47 48 LYS HB3 H 1.454 0.003 2
369 47 48 LYS HD2 H 1.213 0.010 2
370 47 48 LYS HD3 H 1.338 0.005 2
371 47 48 LYS HE2 H 2.686 0.002 2
372 47 48 LYS HE3 H 2.686 0.002 2
373 47 48 LYS HG2 H 0.113 0.005 2
374 47 48 LYS HG3 H 0.901 0.010 2
375 47 48 LYS C C 178.812 0.000 1
376 47 48 LYS CA C 58.953 0.037 1
377 47 48 LYS CB C 32.796 0.053 1
378 47 48 LYS CD C 29.985 0.041 1
379 47 48 LYS CE C 42.068 0.007 1
380 47 48 LYS CG C 24.561 0.063 1
381 47 48 LYS N N 117.852 0.047 1
382 48 49 TYR H H 6.841 0.007 1
383 48 49 TYR HA H 4.995 0.006 1
384 48 49 TYR HB2 H 2.358 0.009 2
385 48 49 TYR HB3 H 3.222 0.004 2
386 48 49 TYR HD1 H 6.570 0.008 3
387 48 49 TYR HD2 H 6.570 0.008 3
388 48 49 TYR HE1 H 6.692 0.018 3
389 48 49 TYR HE2 H 6.692 0.018 3
390 48 49 TYR C C 178.138 0.000 1
391 48 49 TYR CA C 58.620 0.080 1
392 48 49 TYR CB C 42.939 0.050 1
393 48 49 TYR CD1 C 133.453 0.027 3
394 48 49 TYR CD2 C 133.453 0.027 3
395 48 49 TYR CE1 C 117.803 0.154 3
396 48 49 TYR CE2 C 117.803 0.154 3
397 48 49 TYR N N 112.109 0.027 1
398 49 50 TYR H H 8.491 0.013 1
399 49 50 TYR HA H 4.598 0.005 1
400 49 50 TYR HB2 H 3.230 0.005 2
401 49 50 TYR HB3 H 3.744 0.007 2
402 49 50 TYR HD1 H 7.344 0.008 3
403 49 50 TYR HD2 H 7.344 0.008 3
404 49 50 TYR HE1 H 6.882 0.011 3
405 49 50 TYR HE2 H 6.882 0.011 3
406 49 50 TYR C C 176.015 0.000 1
407 49 50 TYR CA C 62.442 0.074 1
408 49 50 TYR CB C 36.588 0.052 1
409 49 50 TYR CD1 C 133.141 0.060 3
410 49 50 TYR CD2 C 133.141 0.060 3
411 49 50 TYR CE1 C 118.267 0.040 3
412 49 50 TYR CE2 C 118.267 0.040 3
413 49 50 TYR N N 118.294 0.055 1
414 50 51 LEU H H 7.512 0.006 1
415 50 51 LEU HA H 3.878 0.005 1
416 50 51 LEU HB2 H 1.219 0.005 2
417 50 51 LEU HB3 H 1.354 0.004 2
418 50 51 LEU HD1 H 0.613 0.018 2
419 50 51 LEU HD2 H 0.641 0.013 2
420 50 51 LEU HG H 0.451 0.004 1
421 50 51 LEU C C 178.625 0.000 1
422 50 51 LEU CA C 55.994 0.118 1
423 50 51 LEU CB C 40.743 0.093 1
424 50 51 LEU CD1 C 23.232 0.016 2
425 50 51 LEU CD2 C 25.132 0.096 2
426 50 51 LEU CG C 25.810 0.037 1
427 50 51 LEU N N 118.478 0.028 1
428 51 52 GLU H H 8.042 0.006 1
429 51 52 GLU HA H 4.197 0.008 1
430 51 52 GLU HB2 H 1.659 0.004 2
431 51 52 GLU HB3 H 1.859 0.003 2
432 51 52 GLU HG2 H 2.250 0.018 2
433 51 52 GLU HG3 H 2.272 0.017 2
434 51 52 GLU C C 177.629 0.000 1
435 51 52 GLU CA C 56.141 0.030 1
436 51 52 GLU CB C 29.162 0.035 1
437 51 52 GLU CG C 34.842 0.040 1
438 51 52 GLU N N 115.067 0.019 1
439 52 53 PHE H H 7.465 0.008 1
440 52 53 PHE HA H 4.431 0.007 1
441 52 53 PHE HB2 H 2.390 0.011 2
442 52 53 PHE HB3 H 3.003 0.004 2
443 52 53 PHE HD1 H 6.552 0.010 3
444 52 53 PHE HD2 H 6.552 0.010 3
445 52 53 PHE HE1 H 5.971 0.004 3
446 52 53 PHE HE2 H 5.971 0.004 3
447 52 53 PHE HZ H 6.446 0.003 1
448 52 53 PHE C C 174.325 0.000 1
449 52 53 PHE CA C 58.986 0.042 1
450 52 53 PHE CB C 40.183 0.053 1
451 52 53 PHE CD1 C 131.367 0.044 3
452 52 53 PHE CD2 C 131.367 0.044 3
453 52 53 PHE CE1 C 129.572 0.049 3
454 52 53 PHE CE2 C 129.572 0.049 3
455 52 53 PHE CZ C 128.692 0.182 1
456 52 53 PHE N N 116.768 0.039 1
457 53 54 GLU H H 7.484 0.007 1
458 53 54 GLU HA H 4.583 0.007 1
459 53 54 GLU HB2 H 1.673 0.003 2
460 53 54 GLU HB3 H 2.035 0.018 2
461 53 54 GLU HG2 H 2.057 0.016 2
462 53 54 GLU HG3 H 2.059 0.016 2
463 53 54 GLU C C 175.722 0.000 1
464 53 54 GLU CA C 54.248 0.039 1
465 53 54 GLU CB C 34.409 0.040 1
466 53 54 GLU CG C 36.704 0.027 1
467 53 54 GLU N N 118.844 0.033 1
468 54 55 ASP H H 9.008 0.006 1
469 54 55 ASP HA H 4.735 0.008 1
470 54 55 ASP HB2 H 2.433 0.004 2
471 54 55 ASP HB3 H 2.837 0.007 2
472 54 55 ASP C C 175.421 0.000 1
473 54 55 ASP CA C 52.888 0.006 1
474 54 55 ASP CB C 38.894 0.057 1
475 54 55 ASP N N 123.654 0.043 1
476 55 56 THR H H 7.819 0.007 1
477 55 56 THR HA H 4.574 0.003 1
478 55 56 THR HB H 4.436 0.009 1
479 55 56 THR HG2 H 1.091 0.005 1
480 55 56 THR C C 174.096 0.000 1
481 55 56 THR CA C 59.172 0.056 1
482 55 56 THR CB C 71.889 0.036 1
483 55 56 THR CG2 C 21.728 0.016 1
484 55 56 THR N N 112.015 0.029 1
485 56 57 GLU H H 8.527 0.007 1
486 56 57 GLU HA H 4.217 0.007 1
487 56 57 GLU HB2 H 1.875 0.004 2
488 56 57 GLU HB3 H 2.079 0.004 2
489 56 57 GLU HG2 H 2.213 0.016 2
490 56 57 GLU HG3 H 2.230 0.013 2
491 56 57 GLU C C 177.042 0.000 1
492 56 57 GLU CA C 56.869 0.059 1
493 56 57 GLU CB C 29.731 0.030 1
494 56 57 GLU CG C 36.328 0.018 1
495 56 57 GLU N N 117.531 0.050 1
496 57 58 GLU H H 7.587 0.009 1
497 57 58 GLU HA H 3.941 0.004 1
498 57 58 GLU HB2 H 1.765 0.029 2
499 57 58 GLU HB3 H 1.827 0.009 2
500 57 58 GLU HG2 H 1.828 0.008 2
501 57 58 GLU HG3 H 2.136 0.003 2
502 57 58 GLU C C 176.849 0.000 1
503 57 58 GLU CA C 56.924 0.060 1
504 57 58 GLU CB C 30.251 0.046 1
505 57 58 GLU CG C 35.566 0.025 1
506 57 58 GLU N N 119.183 0.041 1
507 58 59 ASN H H 9.120 0.006 1
508 58 59 ASN HA H 4.922 0.004 1
509 58 59 ASN HB2 H 2.648 0.004 2
510 58 59 ASN HB3 H 2.734 0.024 2
511 58 59 ASN HD21 H 6.713 0.006 1
512 58 59 ASN HD22 H 7.458 0.010 1
513 58 59 ASN C C 174.254 0.000 1
514 58 59 ASN CA C 51.956 0.051 1
515 58 59 ASN CB C 37.404 0.075 1
516 58 59 ASN N N 126.767 0.037 1
517 58 59 ASN ND2 N 111.819 0.104 1
518 59 60 LYS H H 5.892 0.005 1
519 59 60 LYS HA H 3.798 0.006 1
520 59 60 LYS HB2 H -0.212 0.006 2
521 59 60 LYS HB3 H 1.312 0.017 2
522 59 60 LYS HD2 H 1.452 0.005 1
523 59 60 LYS HD3 H 1.452 0.005 1
524 59 60 LYS HE2 H 2.730 0.003 2
525 59 60 LYS HE3 H 2.730 0.003 2
526 59 60 LYS HG2 H 0.878 0.008 2
527 59 60 LYS HG3 H 0.981 0.007 2
528 59 60 LYS C C 177.908 0.000 1
529 59 60 LYS CA C 56.623 0.068 1
530 59 60 LYS CB C 32.279 0.028 1
531 59 60 LYS CD C 29.147 0.026 1
532 59 60 LYS CE C 42.045 0.078 1
533 59 60 LYS CG C 25.559 0.100 1
534 59 60 LYS N N 121.527 0.030 1
535 60 61 LEU H H 8.473 0.007 1
536 60 61 LEU HA H 3.891 0.011 1
537 60 61 LEU HB2 H 1.420 0.011 2
538 60 61 LEU HB3 H 1.574 0.017 2
539 60 61 LEU HD1 H 0.804 0.013 2
540 60 61 LEU HD2 H 0.831 0.015 2
541 60 61 LEU HG H 1.626 0.017 1
542 60 61 LEU C C 179.843 0.000 1
543 60 61 LEU CA C 58.301 0.097 1
544 60 61 LEU CB C 41.305 0.057 1
545 60 61 LEU CD1 C 23.464 0.020 2
546 60 61 LEU CD2 C 24.808 0.012 2
547 60 61 LEU CG C 26.975 0.100 1
548 60 61 LEU N N 125.639 0.031 1
549 61 62 ILE H H 7.698 0.008 1
550 61 62 ILE HA H 3.952 0.009 1
551 61 62 ILE HB H 1.725 0.003 1
552 61 62 ILE HD1 H 0.776 0.004 1
553 61 62 ILE HG12 H 1.248 0.014 2
554 61 62 ILE HG13 H 1.391 0.003 2
555 61 62 ILE HG2 H 0.601 0.004 1
556 61 62 ILE C C 175.392 0.000 1
557 61 62 ILE CA C 61.743 0.037 1
558 61 62 ILE CB C 39.108 0.023 1
559 61 62 ILE CD1 C 14.021 0.038 1
560 61 62 ILE CG1 C 28.265 0.032 1
561 61 62 ILE CG2 C 17.410 0.037 1
562 61 62 ILE N N 114.111 0.040 1
563 62 63 TYR H H 7.273 0.004 1
564 62 63 TYR HA H 4.343 0.008 1
565 62 63 TYR HB2 H 3.346 0.007 1
566 62 63 TYR HB3 H 3.346 0.007 1
567 62 63 TYR HD1 H 6.697 0.004 3
568 62 63 TYR HD2 H 6.697 0.004 3
569 62 63 TYR HE1 H 6.709 0.018 3
570 62 63 TYR HE2 H 6.709 0.018 3
571 62 63 TYR C C 178.264 0.000 1
572 62 63 TYR CA C 57.231 0.044 1
573 62 63 TYR CB C 36.332 0.066 1
574 62 63 TYR CD1 C 131.168 0.035 3
575 62 63 TYR CD2 C 131.168 0.035 3
576 62 63 TYR CE1 C 117.942 0.132 3
577 62 63 TYR CE2 C 117.942 0.132 3
578 62 63 TYR N N 117.689 0.031 1
579 63 64 THR H H 7.747 0.006 1
580 63 64 THR HA H 4.266 0.014 1
581 63 64 THR HB H 4.443 0.006 1
582 63 64 THR HG2 H 1.200 0.002 1
583 63 64 THR CA C 69.362 0.064 1
584 63 64 THR CB C 66.962 0.029 1
585 63 64 THR CG2 C 21.686 0.038 1
586 63 64 THR N N 113.755 0.035 1
587 64 65 PRO HA H 4.372 0.010 1
588 64 65 PRO HB2 H 1.918 0.017 2
589 64 65 PRO HB3 H 2.252 0.021 2
590 64 65 PRO HD2 H 3.376 0.011 2
591 64 65 PRO HD3 H 4.218 0.014 2
592 64 65 PRO HG2 H 1.962 0.011 2
593 64 65 PRO HG3 H 2.227 0.016 2
594 64 65 PRO C C 179.913 0.000 1
595 64 65 PRO CA C 66.011 0.018 1
596 64 65 PRO CB C 30.642 0.042 1
597 64 65 PRO CD C 49.466 0.080 1
598 64 65 PRO CG C 27.755 0.053 1
599 65 66 ILE H H 7.377 0.006 1
600 65 66 ILE HA H 3.530 0.005 1
601 65 66 ILE HB H 1.801 0.015 1
602 65 66 ILE HD1 H 0.467 0.004 1
603 65 66 ILE HG12 H -0.305 0.005 2
604 65 66 ILE HG13 H 1.727 0.024 2
605 65 66 ILE HG2 H 0.844 0.005 1
606 65 66 ILE C C 177.543 0.000 1
607 65 66 ILE CA C 66.647 0.065 1
608 65 66 ILE CB C 38.029 0.053 1
609 65 66 ILE CD1 C 15.589 0.040 1
610 65 66 ILE CG1 C 28.184 0.041 1
611 65 66 ILE CG2 C 18.012 0.038 1
612 65 66 ILE N N 118.353 0.037 1
613 66 67 PHE H H 8.480 0.018 1
614 66 67 PHE HA H 4.115 0.004 1
615 66 67 PHE HB2 H 3.054 0.007 2
616 66 67 PHE HB3 H 3.296 0.008 2
617 66 67 PHE HD1 H 6.352 0.005 3
618 66 67 PHE HD2 H 6.352 0.005 3
619 66 67 PHE HE1 H 7.398 0.012 3
620 66 67 PHE HE2 H 7.398 0.012 3
621 66 67 PHE HZ H 6.874 0.004 1
622 66 67 PHE C C 177.293 0.000 1
623 66 67 PHE CA C 59.570 0.048 1
624 66 67 PHE CB C 38.865 0.057 1
625 66 67 PHE CD1 C 131.205 0.017 3
626 66 67 PHE CD2 C 131.205 0.017 3
627 66 67 PHE CE1 C 131.324 0.096 3
628 66 67 PHE CE2 C 131.324 0.096 3
629 66 67 PHE CZ C 129.574 0.062 1
630 66 67 PHE N N 122.420 0.092 1
631 67 68 ASN H H 8.595 0.008 1
632 67 68 ASN HA H 4.211 0.009 1
633 67 68 ASN HB2 H 2.740 0.013 2
634 67 68 ASN HB3 H 2.782 0.019 2
635 67 68 ASN HD21 H 6.850 0.023 1
636 67 68 ASN HD22 H 7.446 0.020 1
637 67 68 ASN C C 178.697 0.000 1
638 67 68 ASN CA C 56.056 0.034 1
639 67 68 ASN CB C 37.704 0.064 1
640 67 68 ASN N N 115.573 0.026 1
641 67 68 ASN ND2 N 110.868 0.070 1
642 68 69 GLU H H 8.414 0.014 1
643 68 69 GLU HA H 4.102 0.019 1
644 68 69 GLU HB2 H 2.352 0.005 2
645 68 69 GLU HB3 H 2.513 0.005 2
646 68 69 GLU HG2 H 2.520 0.012 1
647 68 69 GLU HG3 H 2.520 0.012 1
648 68 69 GLU C C 177.880 0.000 1
649 68 69 GLU CA C 59.399 0.058 1
650 68 69 GLU CB C 29.855 0.054 1
651 68 69 GLU CG C 36.910 0.072 1
652 68 69 GLU N N 123.510 0.031 1
653 69 70 TYR H H 8.659 0.007 1
654 69 70 TYR HA H 3.362 0.009 1
655 69 70 TYR HB2 H 3.397 0.017 1
656 69 70 TYR HB3 H 3.397 0.017 1
657 69 70 TYR HD1 H 6.642 0.004 3
658 69 70 TYR HD2 H 6.642 0.004 3
659 69 70 TYR HE1 H 6.652 0.008 3
660 69 70 TYR HE2 H 6.652 0.008 3
661 69 70 TYR C C 178.143 0.000 1
662 69 70 TYR CA C 60.686 0.022 1
663 69 70 TYR CB C 38.560 0.049 1
664 69 70 TYR CD1 C 133.433 0.008 3
665 69 70 TYR CD2 C 133.433 0.008 3
666 69 70 TYR CE1 C 118.804 0.057 3
667 69 70 TYR CE2 C 118.804 0.057 3
668 69 70 TYR N N 122.130 0.034 1
669 70 71 ILE H H 8.031 0.011 1
670 70 71 ILE HA H 3.265 0.005 1
671 70 71 ILE HB H 1.700 0.004 1
672 70 71 ILE HD1 H 0.268 0.004 1
673 70 71 ILE HG12 H 1.004 0.008 2
674 70 71 ILE HG13 H 1.132 0.007 2
675 70 71 ILE HG2 H 0.654 0.003 1
676 70 71 ILE C C 178.056 0.000 1
677 70 71 ILE CA C 63.756 0.051 1
678 70 71 ILE CB C 37.321 0.079 1
679 70 71 ILE CD1 C 11.457 0.090 1
680 70 71 ILE CG1 C 28.164 0.061 1
681 70 71 ILE CG2 C 17.389 0.019 1
682 70 71 ILE N N 118.906 0.058 1
683 71 72 SER H H 7.803 0.006 1
684 71 72 SER HA H 4.029 0.003 1
685 71 72 SER HB2 H 3.842 0.014 2
686 71 72 SER HB3 H 3.896 0.019 2
687 71 72 SER CA C 61.380 0.069 1
688 71 72 SER CB C 63.288 0.084 1
689 71 72 SER N N 113.735 0.031 1
690 72 73 LEU H H 7.952 0.017 1
691 72 73 LEU HA H 4.418 0.004 1
692 72 73 LEU HB2 H 1.546 0.020 2
693 72 73 LEU HB3 H 1.600 0.012 2
694 72 73 LEU HD1 H 0.913 0.017 2
695 72 73 LEU HD2 H 0.971 0.025 2
696 72 73 LEU HG H 1.422 0.005 1
697 72 73 LEU C C 177.767 0.000 1
698 72 73 LEU CA C 56.543 0.038 1
699 72 73 LEU CB C 44.517 0.018 1
700 72 73 LEU CD1 C 25.142 0.045 2
701 72 73 LEU CD2 C 24.251 0.093 2
702 72 73 LEU CG C 26.956 0.099 1
703 72 73 LEU N N 119.411 0.057 1
704 73 74 VAL H H 8.021 0.018 1
705 73 74 VAL HA H 3.532 0.003 1
706 73 74 VAL HB H 1.511 0.006 1
707 73 74 VAL HG1 H 0.458 0.008 2
708 73 74 VAL HG2 H 0.770 0.009 2
709 73 74 VAL C C 177.126 0.000 1
710 73 74 VAL CA C 66.250 0.059 1
711 73 74 VAL CB C 31.212 0.036 1
712 73 74 VAL CG1 C 21.587 0.057 2
713 73 74 VAL CG2 C 21.614 0.073 2
714 73 74 VAL N N 118.747 0.062 1
715 74 75 GLU H H 7.232 0.006 1
716 74 75 GLU HA H 3.013 0.004 1
717 74 75 GLU HB2 H 0.718 0.018 2
718 74 75 GLU HB3 H 2.272 0.010 2
719 74 75 GLU HG2 H 1.673 0.002 2
720 74 75 GLU HG3 H 1.789 0.008 2
721 74 75 GLU C C 178.804 0.000 1
722 74 75 GLU CA C 60.536 0.056 1
723 74 75 GLU CB C 27.009 0.090 1
724 74 75 GLU CG C 33.952 0.106 1
725 74 75 GLU N N 118.660 0.029 1
726 75 76 LYS H H 7.051 0.013 1
727 75 76 LYS HA H 3.765 0.005 1
728 75 76 LYS HB2 H 1.587 0.021 2
729 75 76 LYS HB3 H 1.760 0.005 2
730 75 76 LYS HD2 H 1.611 0.020 1
731 75 76 LYS HD3 H 1.611 0.020 1
732 75 76 LYS HE2 H 2.888 0.003 2
733 75 76 LYS HE3 H 2.888 0.003 2
734 75 76 LYS HG2 H 1.401 0.004 2
735 75 76 LYS HG3 H 1.401 0.004 2
736 75 76 LYS C C 177.765 0.000 1
737 75 76 LYS CA C 58.357 0.040 1
738 75 76 LYS CB C 31.939 0.032 1
739 75 76 LYS CD C 28.345 0.069 1
740 75 76 LYS CE C 42.075 0.034 1
741 75 76 LYS CG C 24.459 0.060 1
742 75 76 LYS N N 116.112 0.027 1
743 76 77 TYR H H 7.067 0.007 1
744 76 77 TYR HA H 4.036 0.004 1
745 76 77 TYR HB2 H 3.120 0.006 1
746 76 77 TYR HB3 H 3.120 0.006 1
747 76 77 TYR HD1 H 6.905 0.005 3
748 76 77 TYR HD2 H 6.905 0.005 3
749 76 77 TYR HE1 H 6.654 0.006 3
750 76 77 TYR HE2 H 6.654 0.006 3
751 76 77 TYR C C 177.752 0.000 1
752 76 77 TYR CA C 61.820 0.085 1
753 76 77 TYR CB C 38.480 0.029 1
754 76 77 TYR CD1 C 133.532 0.025 3
755 76 77 TYR CD2 C 133.532 0.025 3
756 76 77 TYR CE1 C 117.602 0.120 3
757 76 77 TYR CE2 C 117.602 0.120 3
758 76 77 TYR N N 118.434 0.037 1
759 77 78 ILE H H 7.554 0.008 1
760 77 78 ILE HA H 3.159 0.007 1
761 77 78 ILE HB H 1.837 0.017 1
762 77 78 ILE HD1 H 0.588 0.018 1
763 77 78 ILE HG12 H 0.829 0.005 2
764 77 78 ILE HG13 H 1.788 0.012 2
765 77 78 ILE HG2 H 0.543 0.013 1
766 77 78 ILE C C 177.341 0.000 1
767 77 78 ILE CA C 65.177 0.022 1
768 77 78 ILE CB C 37.339 0.021 1
769 77 78 ILE CD1 C 13.216 0.022 1
770 77 78 ILE CG1 C 29.079 0.046 1
771 77 78 ILE CG2 C 17.587 0.052 1
772 77 78 ILE N N 117.672 0.024 1
773 78 79 GLU H H 8.296 0.009 1
774 78 79 GLU HA H 3.557 0.009 1
775 78 79 GLU HB2 H 2.016 0.021 2
776 78 79 GLU HB3 H 2.065 0.030 2
777 78 79 GLU HG2 H 2.165 0.005 2
778 78 79 GLU HG3 H 2.296 0.004 2
779 78 79 GLU C C 177.742 0.000 1
780 78 79 GLU CA C 60.847 0.031 1
781 78 79 GLU CB C 29.594 0.110 1
782 78 79 GLU CG C 36.721 0.050 1
783 78 79 GLU N N 118.701 0.037 1
784 79 80 GLU H H 8.330 0.008 1
785 79 80 GLU HA H 3.774 0.004 1
786 79 80 GLU HB2 H 1.804 0.005 2
787 79 80 GLU HB3 H 1.991 0.013 2
788 79 80 GLU HG2 H 2.053 0.015 2
789 79 80 GLU HG3 H 2.308 0.003 2
790 79 80 GLU C C 179.926 0.000 1
791 79 80 GLU CA C 59.581 0.019 1
792 79 80 GLU CB C 29.062 0.079 1
793 79 80 GLU CG C 36.620 0.021 1
794 79 80 GLU N N 116.767 0.034 1
795 80 81 GLN H H 7.634 0.011 1
796 80 81 GLN HA H 3.605 0.016 1
797 80 81 GLN HB2 H 1.691 0.026 2
798 80 81 GLN HB3 H 1.739 0.024 2
799 80 81 GLN HE21 H 6.635 0.016 1
800 80 81 GLN HE22 H 6.665 0.019 1
801 80 81 GLN HG2 H 1.710 0.026 2
802 80 81 GLN HG3 H 1.833 0.004 2
803 80 81 GLN C C 179.681 0.000 1
804 80 81 GLN CA C 57.765 0.036 1
805 80 81 GLN CB C 28.079 0.082 1
806 80 81 GLN CG C 33.131 0.049 1
807 80 81 GLN N N 116.325 0.028 1
808 80 81 GLN NE2 N 114.319 0.025 1
809 81 82 LEU H H 8.156 0.006 1
810 81 82 LEU HA H 3.536 0.008 1
811 81 82 LEU HB2 H 0.222 0.012 2
812 81 82 LEU HB3 H 1.242 0.011 2
813 81 82 LEU HD1 H -0.066 0.004 2
814 81 82 LEU HD2 H 0.203 0.005 2
815 81 82 LEU HG H 1.132 0.017 1
816 81 82 LEU C C 178.945 0.000 1
817 81 82 LEU CA C 57.761 0.013 1
818 81 82 LEU CB C 40.961 0.042 1
819 81 82 LEU CD1 C 25.742 0.055 2
820 81 82 LEU CD2 C 23.611 0.034 2
821 81 82 LEU CG C 26.393 0.095 1
822 81 82 LEU N N 121.546 0.026 1
823 82 83 LEU H H 8.326 0.006 1
824 82 83 LEU HA H 4.198 0.003 1
825 82 83 LEU HB2 H 1.382 0.006 2
826 82 83 LEU HB3 H 1.718 0.004 2
827 82 83 LEU HD1 H 0.871 0.004 2
828 82 83 LEU HD2 H 0.985 0.010 2
829 82 83 LEU HG H 1.716 0.006 1
830 82 83 LEU C C 178.631 0.000 1
831 82 83 LEU CA C 57.016 0.032 1
832 82 83 LEU CB C 42.182 0.069 1
833 82 83 LEU CD1 C 25.650 0.066 2
834 82 83 LEU CD2 C 24.285 0.143 2
835 82 83 LEU CG C 27.709 0.028 1
836 82 83 LEU N N 120.426 0.035 1
837 83 84 GLN H H 6.992 0.005 1
838 83 84 GLN HA H 3.877 0.004 1
839 83 84 GLN HB2 H 1.844 0.008 2
840 83 84 GLN HB3 H 1.967 0.007 2
841 83 84 GLN HE21 H 6.585 0.004 1
842 83 84 GLN HE22 H 7.180 0.014 1
843 83 84 GLN HG2 H 2.236 0.006 2
844 83 84 GLN HG3 H 2.378 0.003 2
845 83 84 GLN C C 177.008 0.000 1
846 83 84 GLN CA C 57.543 0.043 1
847 83 84 GLN CB C 28.688 0.033 1
848 83 84 GLN CG C 33.809 0.079 1
849 83 84 GLN N N 114.001 0.020 1
850 83 84 GLN NE2 N 111.138 0.068 1
851 84 85 ARG H H 7.072 0.013 1
852 84 85 ARG HA H 4.047 0.004 1
853 84 85 ARG HB2 H 1.092 0.022 2
854 84 85 ARG HB3 H 1.132 0.006 2
855 84 85 ARG HD2 H 2.139 0.002 2
856 84 85 ARG HD3 H 2.423 0.003 2
857 84 85 ARG HE H 7.033 0.021 1
858 84 85 ARG HG2 H 1.131 0.005 1
859 84 85 ARG HG3 H 1.131 0.005 1
860 84 85 ARG C C 175.999 0.000 1
861 84 85 ARG CA C 56.764 0.039 1
862 84 85 ARG CB C 32.044 0.053 1
863 84 85 ARG CD C 42.752 0.030 1
864 84 85 ARG CG C 26.959 0.023 1
865 84 85 ARG N N 115.827 0.113 1
866 84 85 ARG NE N 125.043 0.053 1
867 85 86 ILE H H 8.238 0.008 1
868 85 86 ILE HA H 4.389 0.004 1
869 85 86 ILE HB H 1.750 0.008 1
870 85 86 ILE HD1 H 0.749 0.003 1
871 85 86 ILE HG12 H 0.952 0.006 2
872 85 86 ILE HG13 H 1.199 0.003 2
873 85 86 ILE HG2 H 0.839 0.004 1
874 85 86 ILE CA C 58.007 0.050 1
875 85 86 ILE CB C 39.604 0.053 1
876 85 86 ILE CD1 C 14.848 0.070 1
877 85 86 ILE CG1 C 26.140 0.041 1
878 85 86 ILE CG2 C 18.037 0.095 1
879 85 86 ILE N N 119.285 0.082 1
880 86 87 PRO HA H 4.392 0.003 1
881 86 87 PRO HB2 H 1.831 0.016 2
882 86 87 PRO HB3 H 2.270 0.003 2
883 86 87 PRO HD2 H 3.410 0.006 2
884 86 87 PRO HD3 H 3.676 0.004 2
885 86 87 PRO HG2 H 1.862 0.015 2
886 86 87 PRO HG3 H 1.973 0.005 2
887 86 87 PRO C C 177.622 0.000 1
888 86 87 PRO CA C 64.665 0.048 1
889 86 87 PRO CB C 32.020 0.031 1
890 86 87 PRO CD C 50.287 0.022 1
891 86 87 PRO CG C 27.358 0.065 1
892 87 88 GLU H H 8.312 0.006 1
893 87 88 GLU HA H 4.208 0.006 1
894 87 88 GLU HB2 H 1.877 0.002 2
895 87 88 GLU HB3 H 2.100 0.002 2
896 87 88 GLU HG2 H 2.104 0.006 1
897 87 88 GLU HG3 H 2.104 0.006 1
898 87 88 GLU C C 175.554 0.000 1
899 87 88 GLU CA C 56.045 0.080 1
900 87 88 GLU CB C 28.654 0.036 1
901 87 88 GLU CG C 36.316 0.010 1
902 87 88 GLU N N 114.256 0.073 1
903 88 89 PHE H H 7.946 0.010 1
904 88 89 PHE HA H 3.993 0.006 1
905 88 89 PHE HB2 H 2.574 0.006 2
906 88 89 PHE HB3 H 3.182 0.005 2
907 88 89 PHE HD1 H 6.893 0.019 3
908 88 89 PHE HD2 H 6.893 0.019 3
909 88 89 PHE HE1 H 6.873 0.011 3
910 88 89 PHE HE2 H 6.873 0.011 3
911 88 89 PHE HZ H 6.861 0.004 1
912 88 89 PHE C C 173.460 0.000 1
913 88 89 PHE CA C 60.119 0.028 1
914 88 89 PHE CB C 39.994 0.067 1
915 88 89 PHE CD1 C 131.401 0.222 3
916 88 89 PHE CD2 C 131.401 0.222 3
917 88 89 PHE CE1 C 131.201 0.078 3
918 88 89 PHE CE2 C 131.201 0.078 3
919 88 89 PHE CZ C 129.642 0.032 1
920 88 89 PHE N N 121.550 0.130 1
921 89 90 ASN H H 7.266 0.006 1
922 89 90 ASN HA H 4.454 0.004 1
923 89 90 ASN HB2 H 2.463 0.005 2
924 89 90 ASN HB3 H 2.586 0.008 2
925 89 90 ASN HD21 H 6.828 0.017 1
926 89 90 ASN HD22 H 7.648 0.015 1
927 89 90 ASN C C 173.921 0.000 1
928 89 90 ASN CA C 51.839 0.057 1
929 89 90 ASN CB C 40.674 0.073 1
930 89 90 ASN N N 125.344 0.041 1
931 89 90 ASN ND2 N 112.617 0.084 1
932 90 91 MET H H 8.968 0.004 1
933 90 91 MET HA H 4.049 0.006 1
934 90 91 MET HB2 H 1.872 0.006 2
935 90 91 MET HB3 H 2.054 0.021 2
936 90 91 MET HE H 2.022 0.007 1
937 90 91 MET HG2 H 2.544 0.012 2
938 90 91 MET HG3 H 2.701 0.010 2
939 90 91 MET C C 177.475 0.000 1
940 90 91 MET CA C 57.758 0.048 1
941 90 91 MET CB C 32.250 0.085 1
942 90 91 MET CE C 17.549 0.029 1
943 90 91 MET CG C 32.416 0.050 1
944 90 91 MET N N 127.052 0.056 1
945 91 92 ALA H H 8.292 0.006 1
946 91 92 ALA HA H 4.059 0.007 1
947 91 92 ALA HB H 1.348 0.008 1
948 91 92 ALA C C 180.412 0.000 1
949 91 92 ALA CA C 55.368 0.067 1
950 91 92 ALA CB C 17.527 0.043 1
951 91 92 ALA N N 123.752 0.043 1
952 92 93 ALA H H 7.931 0.005 1
953 92 93 ALA HA H 4.054 0.004 1
954 92 93 ALA HB H 1.332 0.005 1
955 92 93 ALA C C 180.482 0.000 1
956 92 93 ALA CA C 54.614 0.049 1
957 92 93 ALA CB C 18.098 0.042 1
958 92 93 ALA N N 121.158 0.087 1
959 93 94 PHE H H 8.110 0.008 1
960 93 94 PHE HA H 4.304 0.010 1
961 93 94 PHE HB2 H 3.138 0.011 2
962 93 94 PHE HB3 H 3.257 0.003 2
963 93 94 PHE HD1 H 7.384 0.018 3
964 93 94 PHE HD2 H 7.384 0.018 3
965 93 94 PHE HE1 H 6.999 0.006 3
966 93 94 PHE HE2 H 6.999 0.006 3
967 93 94 PHE HZ H 6.701 0.014 1
968 93 94 PHE C C 177.350 0.000 1
969 93 94 PHE CA C 61.641 0.041 1
970 93 94 PHE CB C 40.014 0.056 1
971 93 94 PHE CD1 C 131.842 0.218 3
972 93 94 PHE CD2 C 131.842 0.218 3
973 93 94 PHE CE1 C 131.282 0.042 3
974 93 94 PHE CE2 C 131.282 0.042 3
975 93 94 PHE CZ C 128.989 0.035 1
976 93 94 PHE N N 119.807 0.045 1
977 94 95 THR H H 8.726 0.006 1
978 94 95 THR HA H 3.569 0.004 1
979 94 95 THR HB H 4.283 0.017 1
980 94 95 THR HG2 H 1.278 0.004 1
981 94 95 THR C C 176.932 0.000 1
982 94 95 THR CA C 66.833 0.046 1
983 94 95 THR CB C 68.445 0.065 1
984 94 95 THR CG2 C 22.052 0.042 1
985 94 95 THR N N 113.074 0.026 1
986 95 96 THR H H 7.657 0.008 1
987 95 96 THR HA H 3.945 0.017 1
988 95 96 THR HB H 4.218 0.012 1
989 95 96 THR HG2 H 1.169 0.002 1
990 95 96 THR C C 176.386 0.000 1
991 95 96 THR CA C 66.550 0.036 1
992 95 96 THR CB C 68.583 0.074 1
993 95 96 THR CG2 C 21.774 0.013 1
994 95 96 THR N N 117.927 0.045 1
995 96 97 THR H H 7.699 0.006 1
996 96 97 THR HA H 3.905 0.005 1
997 96 97 THR HB H 4.164 0.007 1
998 96 97 THR HG2 H 0.986 0.005 1
999 96 97 THR C C 176.572 0.000 1
1000 96 97 THR CA C 65.979 0.028 1
1001 96 97 THR CB C 68.553 0.066 1
1002 96 97 THR CG2 C 22.462 0.040 1
1003 96 97 THR N N 118.518 0.059 1
1004 97 98 LEU H H 8.304 0.011 1
1005 97 98 LEU HA H 3.725 0.008 1
1006 97 98 LEU HB2 H 1.168 0.003 2
1007 97 98 LEU HB3 H 1.670 0.010 2
1008 97 98 LEU HD1 H 0.679 0.005 2
1009 97 98 LEU HD2 H 1.497 0.007 2
1010 97 98 LEU HG H 0.851 0.006 1
1011 97 98 LEU C C 178.490 0.000 1
1012 97 98 LEU CA C 58.517 0.096 1
1013 97 98 LEU CB C 41.697 0.025 1
1014 97 98 LEU CD1 C 26.389 0.100 2
1015 97 98 LEU CD2 C 26.600 0.089 2
1016 97 98 LEU CG C 24.875 0.027 1
1017 97 98 LEU N N 122.882 0.044 1
1018 98 99 GLN H H 7.639 0.007 1
1019 98 99 GLN HA H 3.927 0.008 1
1020 98 99 GLN HB2 H 2.024 0.005 1
1021 98 99 GLN HB3 H 2.024 0.005 1
1022 98 99 GLN HE21 H 6.731 0.005 1
1023 98 99 GLN HE22 H 7.321 0.016 1
1024 98 99 GLN HG2 H 2.377 0.003 1
1025 98 99 GLN HG3 H 2.377 0.003 1
1026 98 99 GLN C C 178.068 0.000 1
1027 98 99 GLN CA C 58.735 0.069 1
1028 98 99 GLN CB C 27.986 0.014 1
1029 98 99 GLN CG C 33.559 0.049 1
1030 98 99 GLN N N 114.302 0.041 1
1031 98 99 GLN NE2 N 110.984 0.079 1
1032 99 100 HIS H H 7.575 0.009 1
1033 99 100 HIS HA H 4.524 0.006 1
1034 99 100 HIS HB2 H 2.988 0.025 2
1035 99 100 HIS HB3 H 3.051 0.027 2
1036 99 100 HIS HD2 H 7.033 0.004 1
1037 99 100 HIS C C 174.789 0.000 1
1038 99 100 HIS CA C 56.154 0.051 1
1039 99 100 HIS CB C 28.946 0.038 1
1040 99 100 HIS CD2 C 119.720 0.015 1
1041 99 100 HIS N N 114.778 0.051 1
1042 100 101 HIS H H 7.773 0.007 1
1043 100 101 HIS HA H 4.704 0.007 1
1044 100 101 HIS HB2 H 2.332 0.008 2
1045 100 101 HIS HB3 H 3.328 0.004 2
1046 100 101 HIS HD2 H 6.844 0.001 1
1047 100 101 HIS C C 174.818 0.000 1
1048 100 101 HIS CA C 54.830 0.042 1
1049 100 101 HIS CB C 29.749 0.099 1
1050 100 101 HIS CD2 C 120.211 0.015 1
1051 100 101 HIS N N 117.397 0.027 1
1052 101 102 LYS H H 7.324 0.006 1
1053 101 102 LYS HA H 3.611 0.004 1
1054 101 102 LYS HB2 H 1.508 0.005 1
1055 101 102 LYS HB3 H 1.508 0.005 1
1056 101 102 LYS HD2 H 1.299 0.018 2
1057 101 102 LYS HD3 H 1.364 0.007 2
1058 101 102 LYS HE2 H 2.654 0.007 1
1059 101 102 LYS HE3 H 2.654 0.007 1
1060 101 102 LYS HG2 H 0.527 0.005 2
1061 101 102 LYS HG3 H 0.969 0.004 2
1062 101 102 LYS C C 176.823 0.000 1
1063 101 102 LYS CA C 59.915 0.055 1
1064 101 102 LYS CB C 32.825 0.028 1
1065 101 102 LYS CD C 29.351 0.022 1
1066 101 102 LYS CE C 41.931 0.042 1
1067 101 102 LYS CG C 23.864 0.048 1
1068 101 102 LYS N N 120.533 0.034 1
1069 102 103 ASP H H 8.361 0.004 1
1070 102 103 ASP HA H 4.421 0.023 1
1071 102 103 ASP HB2 H 2.520 0.003 2
1072 102 103 ASP HB3 H 2.652 0.005 2
1073 102 103 ASP C C 176.793 0.000 1
1074 102 103 ASP CA C 55.500 0.040 1
1075 102 103 ASP CB C 40.178 0.042 1
1076 102 103 ASP N N 114.814 0.044 1
1077 103 104 GLU H H 7.858 0.004 1
1078 103 104 GLU HA H 4.339 0.012 1
1079 103 104 GLU HB2 H 2.077 0.008 2
1080 103 104 GLU HB3 H 2.292 0.007 2
1081 103 104 GLU C C 175.777 0.000 1
1082 103 104 GLU CA C 56.356 0.065 1
1083 103 104 GLU CB C 31.293 0.049 1
1084 103 104 GLU N N 116.826 0.023 1
1085 104 105 VAL H H 7.201 0.006 1
1086 104 105 VAL HA H 4.296 0.005 1
1087 104 105 VAL HB H 1.977 0.008 1
1088 104 105 VAL HG1 H 1.038 0.008 2
1089 104 105 VAL HG2 H 1.038 0.008 2
1090 104 105 VAL C C 174.482 0.000 1
1091 104 105 VAL CA C 60.370 0.036 1
1092 104 105 VAL CB C 34.341 0.040 1
1093 104 105 VAL CG1 C 21.388 0.066 2
1094 104 105 VAL CG2 C 21.388 0.066 2
1095 104 105 VAL N N 116.422 0.147 1
1096 105 106 ALA H H 8.487 0.015 1
1097 105 106 ALA HA H 4.172 0.015 1
1098 105 106 ALA HB H 1.417 0.005 1
1099 105 106 ALA C C 179.030 0.000 1
1100 105 106 ALA CA C 52.966 0.032 1
1101 105 106 ALA CB C 19.371 0.032 1
1102 105 106 ALA N N 128.313 0.052 1
1103 106 107 GLY H H 8.738 0.005 1
1104 106 107 GLY HA2 H 3.773 0.008 2
1105 106 107 GLY HA3 H 3.998 0.004 2
1106 106 107 GLY C C 174.958 0.000 1
1107 106 107 GLY CA C 47.449 0.036 1
1108 106 107 GLY N N 110.612 0.026 1
1109 107 108 ASP H H 8.535 0.011 1
1110 107 108 ASP HA H 4.333 0.031 1
1111 107 108 ASP HB2 H 2.521 0.006 2
1112 107 108 ASP HB3 H 2.651 0.002 2
1113 107 108 ASP C C 179.133 0.000 1
1114 107 108 ASP CA C 56.721 0.071 1
1115 107 108 ASP CB C 39.336 0.085 1
1116 107 108 ASP N N 117.474 0.095 1
1117 108 109 ILE H H 7.459 0.015 1
1118 108 109 ILE HA H 3.688 0.018 1
1119 108 109 ILE HB H 1.959 0.003 1
1120 108 109 ILE HD1 H 0.747 0.009 1
1121 108 109 ILE HG12 H 1.061 0.007 2
1122 108 109 ILE HG13 H 1.494 0.010 2
1123 108 109 ILE HG2 H 0.733 0.008 1
1124 108 109 ILE C C 176.735 0.000 1
1125 108 109 ILE CA C 63.474 0.071 1
1126 108 109 ILE CB C 37.340 0.038 1
1127 108 109 ILE CD1 C 12.636 0.020 1
1128 108 109 ILE CG1 C 28.220 0.028 1
1129 108 109 ILE CG2 C 17.653 0.053 1
1130 108 109 ILE N N 119.609 0.051 1
1131 109 110 PHE H H 7.920 0.015 1
1132 109 110 PHE HA H 3.759 0.017 1
1133 109 110 PHE HB2 H 2.924 0.005 2
1134 109 110 PHE HB3 H 3.173 0.004 2
1135 109 110 PHE HD1 H 7.130 0.003 3
1136 109 110 PHE HD2 H 7.130 0.003 3
1137 109 110 PHE HE1 H 7.232 0.002 3
1138 109 110 PHE HE2 H 7.232 0.002 3
1139 109 110 PHE HZ H 7.229 0.014 1
1140 109 110 PHE C C 177.132 0.000 1
1141 109 110 PHE CA C 62.766 0.030 1
1142 109 110 PHE CB C 39.752 0.044 1
1143 109 110 PHE CD1 C 131.733 0.098 3
1144 109 110 PHE CD2 C 131.733 0.098 3
1145 109 110 PHE CE1 C 131.509 0.019 3
1146 109 110 PHE CE2 C 131.509 0.019 3
1147 109 110 PHE CZ C 129.662 0.076 1
1148 109 110 PHE N N 120.906 0.036 1
1149 110 111 ASP H H 8.639 0.013 1
1150 110 111 ASP HA H 4.216 0.003 1
1151 110 111 ASP HB2 H 2.618 0.002 1
1152 110 111 ASP HB3 H 2.618 0.002 1
1153 110 111 ASP C C 178.900 0.000 1
1154 110 111 ASP CA C 57.105 0.051 1
1155 110 111 ASP CB C 39.697 0.032 1
1156 110 111 ASP N N 117.124 0.036 1
1157 111 112 MET H H 7.331 0.006 1
1158 111 112 MET HA H 4.081 0.007 1
1159 111 112 MET HB2 H 2.009 0.007 2
1160 111 112 MET HB3 H 2.184 0.012 2
1161 111 112 MET HE H 1.994 0.004 1
1162 111 112 MET HG2 H 2.180 0.012 2
1163 111 112 MET HG3 H 2.444 0.005 2
1164 111 112 MET C C 179.052 0.000 1
1165 111 112 MET CA C 58.202 0.036 1
1166 111 112 MET CB C 31.827 0.126 1
1167 111 112 MET CE C 17.135 0.046 1
1168 111 112 MET CG C 31.650 0.114 1
1169 111 112 MET N N 118.061 0.040 1
1170 112 113 LEU H H 8.001 0.005 1
1171 112 113 LEU HA H 3.723 0.004 1
1172 112 113 LEU HB2 H 1.353 0.008 2
1173 112 113 LEU HB3 H 1.701 0.010 2
1174 112 113 LEU HD1 H 0.884 0.007 2
1175 112 113 LEU HD2 H 0.892 0.009 2
1176 112 113 LEU HG H 1.858 0.012 1
1177 112 113 LEU C C 179.747 0.000 1
1178 112 113 LEU CA C 57.371 0.049 1
1179 112 113 LEU CB C 40.671 0.024 1
1180 112 113 LEU CD1 C 26.099 0.036 2
1181 112 113 LEU CD2 C 23.268 0.059 2
1182 112 113 LEU CG C 27.771 0.039 1
1183 112 113 LEU N N 120.426 0.030 1
1184 113 114 LEU H H 7.744 0.005 1
1185 113 114 LEU HA H 4.007 0.018 1
1186 113 114 LEU HB2 H 1.482 0.013 2
1187 113 114 LEU HB3 H 1.490 0.014 2
1188 113 114 LEU HD1 H 0.696 0.005 2
1189 113 114 LEU HD2 H 0.791 0.004 2
1190 113 114 LEU HG H 1.486 0.012 1
1191 113 114 LEU C C 179.358 0.000 1
1192 113 114 LEU CA C 57.202 0.047 1
1193 113 114 LEU CB C 41.727 0.031 1
1194 113 114 LEU CD1 C 23.909 0.046 2
1195 113 114 LEU CD2 C 24.533 0.031 2
1196 113 114 LEU CG C 26.671 0.021 1
1197 113 114 LEU N N 119.584 0.040 1
1198 114 115 THR H H 7.353 0.006 1
1199 114 115 THR HA H 4.071 0.015 1
1200 114 115 THR HB H 4.468 0.009 1
1201 114 115 THR HG1 H 6.258 0.008 1
1202 114 115 THR HG2 H 1.447 0.006 1
1203 114 115 THR C C 173.591 0.000 1
1204 114 115 THR CA C 65.332 0.060 1
1205 114 115 THR CB C 70.319 0.056 1
1206 114 115 THR CG2 C 22.120 0.040 1
1207 114 115 THR N N 107.535 0.026 1
1208 115 116 PHE H H 6.979 0.004 1
1209 115 116 PHE HA H 5.022 0.007 1
1210 115 116 PHE HB2 H 3.179 0.021 2
1211 115 116 PHE HB3 H 3.226 0.026 2
1212 115 116 PHE HD1 H 7.133 0.004 3
1213 115 116 PHE HD2 H 7.133 0.004 3
1214 115 116 PHE HE1 H 6.743 0.004 3
1215 115 116 PHE HE2 H 6.743 0.004 3
1216 115 116 PHE HZ H 6.859 0.002 1
1217 115 116 PHE C C 176.488 0.000 1
1218 115 116 PHE CA C 55.911 0.045 1
1219 115 116 PHE CB C 38.521 0.053 1
1220 115 116 PHE CD1 C 131.668 0.093 3
1221 115 116 PHE CD2 C 131.668 0.093 3
1222 115 116 PHE CE1 C 130.537 0.046 3
1223 115 116 PHE CE2 C 130.537 0.046 3
1224 115 116 PHE CZ C 128.911 0.015 1
1225 115 116 PHE N N 112.366 0.021 1
1226 116 117 THR H H 7.564 0.010 1
1227 116 117 THR HA H 4.626 0.004 1
1228 116 117 THR HB H 4.277 0.003 1
1229 116 117 THR HG2 H 1.146 0.004 1
1230 116 117 THR C C 174.085 0.000 1
1231 116 117 THR CA C 61.636 0.047 1
1232 116 117 THR CB C 70.915 0.043 1
1233 116 117 THR CG2 C 21.630 0.032 1
1234 116 117 THR N N 105.498 0.044 1
1235 117 118 ASP H H 8.270 0.006 1
1236 117 118 ASP HA H 4.955 0.005 1
1237 117 118 ASP HB2 H 2.457 0.004 2
1238 117 118 ASP HB3 H 2.949 0.004 2
1239 117 118 ASP C C 176.328 0.000 1
1240 117 118 ASP CA C 53.417 0.096 1
1241 117 118 ASP CB C 43.388 0.051 1
1242 117 118 ASP N N 124.409 0.034 1
1243 118 119 PHE H H 8.973 0.006 1
1244 118 119 PHE HA H 3.506 0.004 1
1245 118 119 PHE HB2 H 2.717 0.003 2
1246 118 119 PHE HB3 H 2.862 0.007 2
1247 118 119 PHE HD1 H 6.674 0.001 3
1248 118 119 PHE HD2 H 6.674 0.001 3
1249 118 119 PHE HE1 H 7.219 0.003 3
1250 118 119 PHE HE2 H 7.219 0.003 3
1251 118 119 PHE HZ H 7.111 0.004 1
1252 118 119 PHE CA C 61.490 0.040 1
1253 118 119 PHE CB C 39.246 0.040 1
1254 118 119 PHE CD1 C 132.328 0.029 3
1255 118 119 PHE CD2 C 132.328 0.029 3
1256 118 119 PHE CE1 C 130.602 0.055 3
1257 118 119 PHE CE2 C 130.602 0.055 3
1258 118 119 PHE CZ C 128.904 0.042 1
1259 118 119 PHE N N 126.688 0.053 1
1260 119 120 LEU H H 8.099 0.004 1
1261 119 120 LEU HA H 3.842 0.004 1
1262 119 120 LEU HB2 H 1.549 0.004 2
1263 119 120 LEU HB3 H 1.843 0.007 2
1264 119 120 LEU HD1 H 0.921 0.020 2
1265 119 120 LEU HD2 H 0.947 0.019 2
1266 119 120 LEU HG H 1.732 0.009 1
1267 119 120 LEU C C 179.601 0.000 1
1268 119 120 LEU CA C 58.174 0.029 1
1269 119 120 LEU CB C 40.315 0.013 1
1270 119 120 LEU CD1 C 23.463 0.035 2
1271 119 120 LEU CD2 C 24.706 0.019 2
1272 119 120 LEU CG C 27.539 0.096 1
1273 119 120 LEU N N 117.930 0.028 1
1274 120 121 ALA H H 7.729 0.006 1
1275 120 121 ALA HA H 3.996 0.006 1
1276 120 121 ALA HB H 1.385 0.006 1
1277 120 121 ALA C C 180.995 0.000 1
1278 120 121 ALA CA C 54.832 0.144 1
1279 120 121 ALA CB C 17.706 0.018 1
1280 120 121 ALA N N 123.195 0.036 1
1281 121 122 PHE H H 7.943 0.009 1
1282 121 122 PHE HA H 3.887 0.024 1
1283 121 122 PHE HB2 H 2.975 0.027 2
1284 121 122 PHE HB3 H 3.836 0.009 2
1285 121 122 PHE HD1 H 6.778 0.007 3
1286 121 122 PHE HD2 H 6.778 0.007 3
1287 121 122 PHE C C 175.410 0.000 1
1288 121 122 PHE CA C 61.075 0.076 1
1289 121 122 PHE CB C 38.115 0.067 1
1290 121 122 PHE CD1 C 133.392 0.036 3
1291 121 122 PHE CD2 C 133.392 0.036 3
1292 121 122 PHE N N 121.798 0.155 1
1293 122 123 LYS H H 8.468 0.005 1
1294 122 123 LYS HA H 3.077 0.014 1
1295 122 123 LYS HB2 H 1.235 0.008 2
1296 122 123 LYS HB3 H 1.645 0.010 2
1297 122 123 LYS HD2 H 1.667 0.013 2
1298 122 123 LYS HD3 H 1.680 0.018 2
1299 122 123 LYS HE2 H 3.043 0.009 2
1300 122 123 LYS HE3 H 3.131 0.003 2
1301 122 123 LYS HG2 H 1.018 0.004 2
1302 122 123 LYS HG3 H 1.175 0.021 2
1303 122 123 LYS C C 178.453 0.000 1
1304 122 123 LYS CA C 59.855 0.039 1
1305 122 123 LYS CB C 32.374 0.021 1
1306 122 123 LYS CD C 30.116 0.005 1
1307 122 123 LYS CE C 42.687 0.020 1
1308 122 123 LYS CG C 26.176 0.028 1
1309 122 123 LYS N N 120.614 0.030 1
1310 123 124 GLU H H 8.100 0.005 1
1311 123 124 GLU HA H 3.652 0.005 1
1312 123 124 GLU HB2 H 1.911 0.015 2
1313 123 124 GLU HB3 H 1.941 0.014 2
1314 123 124 GLU HG2 H 2.191 0.002 2
1315 123 124 GLU HG3 H 2.326 0.017 2
1316 123 124 GLU C C 177.743 0.000 1
1317 123 124 GLU CA C 59.406 0.061 1
1318 123 124 GLU CB C 28.811 0.059 1
1319 123 124 GLU CG C 35.503 0.062 1
1320 123 124 GLU N N 117.404 0.039 1
1321 124 125 MET H H 7.537 0.006 1
1322 124 125 MET HA H 3.860 0.007 1
1323 124 125 MET HB2 H 1.833 0.011 2
1324 124 125 MET HB3 H 2.248 0.005 2
1325 124 125 MET HE H 1.273 0.005 1
1326 124 125 MET HG2 H 1.695 0.009 2
1327 124 125 MET HG3 H 2.247 0.004 2
1328 124 125 MET C C 179.522 0.000 1
1329 124 125 MET CA C 58.832 0.074 1
1330 124 125 MET CB C 31.765 0.019 1
1331 124 125 MET CE C 16.381 0.035 1
1332 124 125 MET CG C 30.493 0.020 1
1333 124 125 MET N N 119.413 0.038 1
1334 125 126 PHE H H 7.148 0.006 1
1335 125 126 PHE HA H 3.633 0.005 1
1336 125 126 PHE HB2 H 1.676 0.005 2
1337 125 126 PHE HB3 H 1.807 0.004 2
1338 125 126 PHE HD1 H 5.979 0.005 3
1339 125 126 PHE HD2 H 5.979 0.005 3
1340 125 126 PHE HE1 H 7.065 0.011 3
1341 125 126 PHE HE2 H 7.065 0.011 3
1342 125 126 PHE C C 178.994 0.000 1
1343 125 126 PHE CA C 63.148 0.036 1
1344 125 126 PHE CB C 39.830 0.045 1
1345 125 126 PHE CD1 C 130.817 0.057 3
1346 125 126 PHE CD2 C 130.817 0.057 3
1347 125 126 PHE CE1 C 130.666 0.022 3
1348 125 126 PHE CE2 C 130.666 0.022 3
1349 125 126 PHE N N 120.013 0.024 1
1350 126 127 LEU H H 8.369 0.007 1
1351 126 127 LEU HA H 3.972 0.018 1
1352 126 127 LEU HB2 H 1.377 0.009 2
1353 126 127 LEU HB3 H 1.809 0.005 2
1354 126 127 LEU HD1 H 0.675 0.008 2
1355 126 127 LEU HD2 H 0.772 0.013 2
1356 126 127 LEU HG H 1.673 0.014 1
1357 126 127 LEU C C 180.621 0.000 1
1358 126 127 LEU CA C 57.944 0.047 1
1359 126 127 LEU CB C 40.543 0.068 1
1360 126 127 LEU CD1 C 22.127 0.043 2
1361 126 127 LEU CD2 C 25.809 0.046 2
1362 126 127 LEU CG C 26.513 0.056 1
1363 126 127 LEU N N 119.692 0.038 1
1364 127 128 ASP H H 8.578 0.005 1
1365 127 128 ASP HA H 4.308 0.007 1
1366 127 128 ASP HB2 H 2.531 0.005 2
1367 127 128 ASP HB3 H 2.654 0.006 2
1368 127 128 ASP C C 178.254 0.000 1
1369 127 128 ASP CA C 56.964 0.074 1
1370 127 128 ASP CB C 39.735 0.063 1
1371 127 128 ASP N N 121.926 0.027 1
1372 128 129 TYR H H 7.710 0.005 1
1373 128 129 TYR HA H 3.908 0.019 1
1374 128 129 TYR HB2 H 2.820 0.005 1
1375 128 129 TYR HB3 H 2.820 0.005 1
1376 128 129 TYR HD1 H 6.603 0.004 3
1377 128 129 TYR HD2 H 6.603 0.004 3
1378 128 129 TYR HE1 H 6.355 0.004 3
1379 128 129 TYR HE2 H 6.355 0.004 3
1380 128 129 TYR C C 177.633 0.000 1
1381 128 129 TYR CA C 61.796 0.034 1
1382 128 129 TYR CB C 39.372 0.048 1
1383 128 129 TYR CD1 C 133.039 0.065 3
1384 128 129 TYR CD2 C 133.039 0.065 3
1385 128 129 TYR CE1 C 117.844 0.039 3
1386 128 129 TYR CE2 C 117.844 0.039 3
1387 128 129 TYR N N 122.548 0.031 1
1388 129 130 ARG H H 8.622 0.005 1
1389 129 130 ARG HA H 3.722 0.010 1
1390 129 130 ARG HB2 H 2.097 0.016 2
1391 129 130 ARG HB3 H 2.104 0.017 2
1392 129 130 ARG HD2 H 3.272 0.004 2
1393 129 130 ARG HD3 H 3.579 0.002 2
1394 129 130 ARG HE H 7.524 0.014 1
1395 129 130 ARG HG2 H 1.638 0.019 2
1396 129 130 ARG HG3 H 1.696 0.023 2
1397 129 130 ARG CA C 60.084 0.079 1
1398 129 130 ARG CB C 29.902 0.021 1
1399 129 130 ARG CD C 43.852 0.040 1
1400 129 130 ARG CG C 28.284 0.056 1
1401 129 130 ARG N N 118.302 0.021 1
1402 129 130 ARG NE N 106.002 0.114 1
1403 130 131 ALA H H 7.936 0.007 1
1404 130 131 ALA HA H 3.997 0.016 1
1405 130 131 ALA HB H 1.402 0.005 1
1406 130 131 ALA C C 180.456 0.000 1
1407 130 131 ALA CA C 55.133 0.027 1
1408 130 131 ALA CB C 17.750 0.029 1
1409 130 131 ALA N N 119.788 0.033 1
1410 131 132 GLU H H 7.622 0.006 1
1411 131 132 GLU HA H 3.862 0.005 1
1412 131 132 GLU HB2 H 1.859 0.004 1
1413 131 132 GLU HB3 H 1.859 0.004 1
1414 131 132 GLU HG2 H 2.000 0.003 2
1415 131 132 GLU HG3 H 2.140 0.003 2
1416 131 132 GLU C C 179.528 0.000 1
1417 131 132 GLU CA C 58.849 0.030 1
1418 131 132 GLU CB C 28.930 0.023 1
1419 131 132 GLU CG C 35.664 0.052 1
1420 131 132 GLU N N 118.428 0.039 1
1421 132 133 LYS H H 7.853 0.006 1
1422 132 133 LYS HA H 3.722 0.006 1
1423 132 133 LYS HB2 H 1.437 0.020 2
1424 132 133 LYS HB3 H 1.487 0.018 2
1425 132 133 LYS HD2 H 1.099 0.014 2
1426 132 133 LYS HD3 H 1.161 0.013 2
1427 132 133 LYS HE2 H 2.464 0.007 2
1428 132 133 LYS HE3 H 2.674 0.006 2
1429 132 133 LYS HG2 H 0.412 0.004 2
1430 132 133 LYS HG3 H 0.694 0.005 2
1431 132 133 LYS C C 175.725 0.000 1
1432 132 133 LYS CA C 57.544 0.033 1
1433 132 133 LYS CB C 31.770 0.051 1
1434 132 133 LYS CD C 27.618 0.034 1
1435 132 133 LYS CE C 42.041 0.062 1
1436 132 133 LYS CG C 23.883 0.048 1
1437 132 133 LYS N N 119.473 0.029 1
1438 133 134 GLU H H 8.151 0.005 1
1439 133 134 GLU HA H 4.161 0.003 1
1440 133 134 GLU HB2 H 1.984 0.020 2
1441 133 134 GLU HB3 H 2.091 0.010 2
1442 133 134 GLU HG2 H 2.262 0.005 2
1443 133 134 GLU HG3 H 2.498 0.004 2
1444 133 134 GLU C C 177.453 0.000 1
1445 133 134 GLU CA C 57.222 0.051 1
1446 133 134 GLU CB C 30.091 0.080 1
1447 133 134 GLU CG C 37.267 0.056 1
1448 133 134 GLU N N 116.525 0.070 1
1449 134 135 GLY H H 7.702 0.005 1
1450 134 135 GLY HA2 H 3.896 0.013 2
1451 134 135 GLY HA3 H 3.897 0.012 2
1452 134 135 GLY C C 174.538 0.000 1
1453 134 135 GLY CA C 45.975 0.034 1
1454 134 135 GLY N N 107.924 0.030 1
1455 135 136 ARG H H 8.045 0.008 1
1456 135 136 ARG HA H 4.323 0.003 1
1457 135 136 ARG HB2 H 1.663 0.018 2
1458 135 136 ARG HB3 H 1.834 0.005 2
1459 135 136 ARG HD2 H 3.140 0.009 1
1460 135 136 ARG HD3 H 3.140 0.009 1
1461 135 136 ARG HE H 7.203 0.010 1
1462 135 136 ARG HG2 H 1.549 0.031 2
1463 135 136 ARG HG3 H 1.550 0.033 2
1464 135 136 ARG C C 175.864 0.000 1
1465 135 136 ARG CA C 56.016 0.053 1
1466 135 136 ARG CB C 30.987 0.072 1
1467 135 136 ARG CD C 43.580 0.038 1
1468 135 136 ARG CG C 27.325 0.041 1
1469 135 136 ARG N N 119.708 0.044 1
1470 135 136 ARG NE N 84.466 0.057 1
1471 136 137 GLY H H 7.904 0.010 1
1472 136 137 GLY HA2 H 3.628 0.005 2
1473 136 137 GLY HA3 H 3.656 0.019 2
1474 136 137 GLY CA C 46.112 0.025 1
1475 136 137 GLY N N 115.466 0.050 1
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