data_17085
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR structure of the HLTF HIRAN domain
;
_BMRB_accession_number 17085
_BMRB_flat_file_name bmr17085.str
_Entry_type original
_Submission_date 2010-07-28
_Accession_date 2010-07-28
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'HIRAN domain of the Helicase-Like Transcription Factor (HLTF).'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Bezsonova Irina . .
2 Neculai Dante . .
3 Weigelt Johan . .
4 Bountra Chas . .
5 Edwards Aled M. .
6 Arrowsmith Cheryl H. .
7 Dhe-Paganon Sirano . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 620
"13C chemical shifts" 453
"15N chemical shifts" 116
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-05-14 original author .
stop_
_Original_release_date 2012-05-14
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR structure of the HLTF HIRAN domain'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Neculai Dante . .
2 Bezsonova Irina . .
3 Weigelt Johan . .
4 Bountra Chas . .
5 Edwards Aled . .
6 Arrowsmith Cheryl . .
7 Dhe-Paganon Sirano . .
stop_
_Journal_abbreviation 'Not known'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
loop_
_Keyword
'DNA repair'
'HIRAN domain'
HLTF
'transcription factor'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'HLTF HIRAN domain'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
HLTF $HLTF
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_HLTF
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common HLTF
_Molecular_mass 13532.442
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 122
_Mol_residue_sequence
;
GSDEEVDSVLFGSLRGHVVG
LRYYTGVVNNNEMVALQRDP
NNPYDKNAIKVNNVNGNQVG
HLKKELAGALAYIMDNKLAQ
IEGVVPFGANNAFTMPLHMT
FWGKEENRKAVSDQLKKHGF
KL
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 50 GLY 2 51 SER 3 52 ASP 4 53 GLU 5 54 GLU
6 55 VAL 7 56 ASP 8 57 SER 9 58 VAL 10 59 LEU
11 60 PHE 12 61 GLY 13 62 SER 14 63 LEU 15 64 ARG
16 65 GLY 17 66 HIS 18 67 VAL 19 68 VAL 20 69 GLY
21 70 LEU 22 71 ARG 23 72 TYR 24 73 TYR 25 74 THR
26 75 GLY 27 76 VAL 28 77 VAL 29 78 ASN 30 79 ASN
31 80 ASN 32 81 GLU 33 82 MET 34 83 VAL 35 84 ALA
36 85 LEU 37 86 GLN 38 87 ARG 39 88 ASP 40 89 PRO
41 90 ASN 42 91 ASN 43 92 PRO 44 93 TYR 45 94 ASP
46 95 LYS 47 96 ASN 48 97 ALA 49 98 ILE 50 99 LYS
51 100 VAL 52 101 ASN 53 102 ASN 54 103 VAL 55 104 ASN
56 105 GLY 57 106 ASN 58 107 GLN 59 108 VAL 60 109 GLY
61 110 HIS 62 111 LEU 63 112 LYS 64 113 LYS 65 114 GLU
66 115 LEU 67 116 ALA 68 117 GLY 69 118 ALA 70 119 LEU
71 120 ALA 72 121 TYR 73 122 ILE 74 123 MET 75 124 ASP
76 125 ASN 77 126 LYS 78 127 LEU 79 128 ALA 80 129 GLN
81 130 ILE 82 131 GLU 83 132 GLY 84 133 VAL 85 134 VAL
86 135 PRO 87 136 PHE 88 137 GLY 89 138 ALA 90 139 ASN
91 140 ASN 92 141 ALA 93 142 PHE 94 143 THR 95 144 MET
96 145 PRO 97 146 LEU 98 147 HIS 99 148 MET 100 149 THR
101 150 PHE 102 151 TRP 103 152 GLY 104 153 LYS 105 154 GLU
106 155 GLU 107 156 ASN 108 157 ARG 109 158 LYS 110 159 ALA
111 160 VAL 112 161 SER 113 162 ASP 114 163 GLN 115 164 LEU
116 165 LYS 117 166 LYS 118 167 HIS 119 168 GLY 120 169 PHE
121 170 LYS 122 171 LEU
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 18458 HLTF-HIRAN 100.00 122 100.00 100.00 8.53e-83
BMRB 25492 entity 100.00 122 100.00 100.00 8.53e-83
PDB 2L1I "Nmr Structure Of The Hltf Hiran Domain" 100.00 122 100.00 100.00 8.53e-83
PDB 2MZN "Nmr Structure Of The Hltf Hiran Domain In Its Dna-bound Conformation" 100.00 122 100.00 100.00 8.53e-83
PDB 4S0N "Crystal Structure Of Hltf Hiran Domain Bound To Dna" 96.72 130 99.15 99.15 1.91e-78
PDB 4XZF "Crystal Structure Of Hiran Domain Of Human Hltf In Complex With Dna" 94.26 122 100.00 100.00 5.91e-77
PDB 4XZG "Crystal Structure Of Hiran Domain Of Human Hltf" 94.26 138 100.00 100.00 8.13e-77
DBJ BAD92289 "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin a3 variant [Homo sapiens]" 99.18 992 100.00 100.00 1.72e-77
DBJ BAF83920 "unnamed protein product [Homo sapiens]" 99.18 1009 100.00 100.00 3.37e-77
EMBL CAA86571 "helicase-like transcription factor [Homo sapiens]" 99.18 1009 100.00 100.00 3.37e-77
EMBL CAD10805 "SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 3 [Homo sapiens]" 99.18 1009 100.00 100.00 3.37e-77
GB AAA67436 "ATPase [Homo sapiens]" 99.18 1009 100.00 100.00 3.24e-77
GB AAB27691 "DNA-binding protein/plasminogen activator inhibitor-1 regulator, partial [Homo sapiens]" 99.18 176 100.00 100.00 2.24e-81
GB AAH05260 "HLTF protein, partial [Homo sapiens]" 99.18 395 100.00 100.00 3.16e-79
GB AAH15498 "HLTF protein, partial [Homo sapiens]" 99.18 455 100.00 100.00 1.99e-79
GB AAH30976 "HLTF protein, partial [Homo sapiens]" 99.18 460 100.00 100.00 2.86e-79
REF NP_003062 "helicase-like transcription factor [Homo sapiens]" 99.18 1009 100.00 100.00 3.37e-77
REF NP_620636 "helicase-like transcription factor [Homo sapiens]" 99.18 1009 100.00 100.00 3.37e-77
REF XP_001138277 "PREDICTED: helicase-like transcription factor isoform X3 [Pan troglodytes]" 99.18 1009 100.00 100.00 2.74e-77
REF XP_002814205 "PREDICTED: helicase-like transcription factor isoform X3 [Pongo abelii]" 99.18 1009 99.17 100.00 3.84e-77
REF XP_003256297 "PREDICTED: helicase-like transcription factor isoform X1 [Nomascus leucogenys]" 99.18 1009 97.52 100.00 2.89e-76
SP Q14527 "RecName: Full=Helicase-like transcription factor; AltName: Full=DNA-binding protein/plasminogen activator inhibitor 1 regulator" 99.18 1009 100.00 100.00 3.37e-77
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$HLTF 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
$HLTF 'recombinant technology' . Escherichia coli . pET28a-LIC
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HLTF 1-1.6 mM '[U-100% 13C; U-100% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
D2O 10 % 'natural abundance'
H2O 90 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_Abacus
_Saveframe_category software
_Name ABACUS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Lemak, Steren et al.' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_MDDNMR
_Saveframe_category software
_Name MDDNMR
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Jaravine and Orekhov' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_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_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_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_CC-TOCSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CC-TOCSY'
_Sample_label $sample_1
save_
save_3D_aro-NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D aro-NOESY'
_Sample_label $sample_1
save_
save_3D_aro-TOCSY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D aro-TOCSY'
_Sample_label $sample_1
save_
save_2D_aro-HSQC_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D aro-HSQC'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.1 . M
pH 6.8 . 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 internal indirect . . . 0.2514
DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0000
DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.1013
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D CBCA(CO)NH'
'3D HBHA(CO)NH'
'3D HNCA'
'3D HNCO'
'3D 1H-15N NOESY'
'3D HCCH-TOCSY'
'3D aro-TOCSY'
'2D aro-HSQC'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name HLTF
_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 50 1 GLY HA2 H 3.522 0.04 2
2 50 1 GLY HA3 H 3.522 0.04 2
3 50 1 GLY C C 178.090 0.4 1
4 50 1 GLY CA C 46.708 0.40 1
5 51 2 SER H H 7.959 0.04 1
6 51 2 SER HB2 H 3.562 0.04 2
7 51 2 SER HB3 H 3.508 0.04 2
8 51 2 SER C C 178.882 0.4 1
9 51 2 SER CB C 64.695 0.40 1
10 51 2 SER N N 121.553 0.40 1
11 52 3 ASP H H 8.247 0.04 1
12 52 3 ASP HA H 4.227 0.04 1
13 52 3 ASP HB2 H 2.369 0.04 2
14 52 3 ASP HB3 H 2.283 0.04 2
15 52 3 ASP C C 177.143 0.4 1
16 52 3 ASP CA C 55.760 0.40 1
17 52 3 ASP CB C 41.591 0.40 1
18 52 3 ASP N N 122.742 0.40 1
19 53 4 GLU H H 7.881 0.04 1
20 53 4 GLU HA H 3.919 0.04 1
21 53 4 GLU HB2 H 1.708 0.04 2
22 53 4 GLU HB3 H 1.587 0.04 2
23 53 4 GLU HG2 H 1.892 0.04 2
24 53 4 GLU HG3 H 1.892 0.04 2
25 53 4 GLU C C 176.889 0.4 1
26 53 4 GLU CA C 57.764 0.40 1
27 53 4 GLU CB C 31.140 0.40 1
28 53 4 GLU CG C 37.243 0.40 1
29 53 4 GLU N N 120.628 0.40 1
30 54 5 GLU H H 7.893 0.04 1
31 54 5 GLU HA H 3.982 0.04 1
32 54 5 GLU HB2 H 1.704 0.04 2
33 54 5 GLU HB3 H 1.588 0.04 2
34 54 5 GLU HG2 H 1.928 0.04 2
35 54 5 GLU HG3 H 1.870 0.04 2
36 54 5 GLU C C 176.886 0.4 1
37 54 5 GLU CA C 57.218 0.40 1
38 54 5 GLU CB C 30.941 0.40 1
39 54 5 GLU CG C 36.994 0.40 1
40 54 5 GLU N N 122.471 0.40 1
41 55 6 VAL H H 7.733 0.04 1
42 55 6 VAL HA H 3.819 0.04 1
43 55 6 VAL HB H 1.780 0.04 1
44 55 6 VAL HG1 H 0.623 0.04 1
45 55 6 VAL HG2 H 0.613 0.04 1
46 55 6 VAL C C 177.614 0.4 1
47 55 6 VAL CA C 63.175 0.40 1
48 55 6 VAL CB C 33.819 0.40 1
49 55 6 VAL CG1 C 22.142 0.40 1
50 55 6 VAL CG2 C 21.192 0.40 1
51 55 6 VAL N N 121.391 0.40 1
52 56 7 ASP H H 8.081 0.04 1
53 56 7 ASP HA H 4.323 0.04 1
54 56 7 ASP HB2 H 2.386 0.04 2
55 56 7 ASP HB3 H 2.333 0.04 2
56 56 7 ASP C C 177.678 0.4 1
57 56 7 ASP CA C 55.082 0.40 1
58 56 7 ASP CB C 41.712 0.40 1
59 56 7 ASP N N 124.138 0.40 1
60 57 8 SER H H 7.606 0.04 1
61 57 8 SER HA H 4.177 0.04 1
62 57 8 SER HB2 H 3.436 0.04 2
63 57 8 SER HB3 H 3.397 0.04 2
64 57 8 SER C C 179.782 0.4 1
65 57 8 SER CA C 59.145 0.40 1
66 57 8 SER CB C 65.291 0.40 1
67 57 8 SER N N 116.590 0.40 1
68 58 9 VAL H H 9.107 0.04 1
69 58 9 VAL HA H 4.346 0.04 1
70 58 9 VAL HB H 1.889 0.04 1
71 58 9 VAL HG1 H 0.724 0.04 1
72 58 9 VAL HG2 H 0.684 0.04 1
73 58 9 VAL C C 179.150 0.4 1
74 58 9 VAL CA C 60.713 0.40 1
75 58 9 VAL CB C 35.705 0.40 1
76 58 9 VAL CG1 C 22.509 0.40 1
77 58 9 VAL CG2 C 19.936 0.40 1
78 58 9 VAL N N 121.072 0.40 1
79 59 10 LEU H H 7.877 0.04 1
80 59 10 LEU HA H 3.222 0.04 1
81 59 10 LEU HB2 H 1.161 0.04 2
82 59 10 LEU HB3 H 0.370 0.04 2
83 59 10 LEU HD1 H 0.341 0.04 1
84 59 10 LEU HD2 H -0.241 0.04 1
85 59 10 LEU HG H 0.512 0.04 1
86 59 10 LEU C C 175.551 0.4 1
87 59 10 LEU CA C 55.461 0.40 1
88 59 10 LEU CB C 42.537 0.40 1
89 59 10 LEU CD1 C 26.779 0.40 1
90 59 10 LEU CD2 C 23.063 0.40 1
91 59 10 LEU CG C 27.292 0.40 1
92 59 10 LEU N N 124.358 0.40 1
93 60 11 PHE H H 8.863 0.04 1
94 60 11 PHE HA H 4.628 0.04 1
95 60 11 PHE HB2 H 2.774 0.04 2
96 60 11 PHE HB3 H 2.534 0.04 2
97 60 11 PHE HD1 H 6.802 0.04 1
98 60 11 PHE HD2 H 7.228 0.04 3
99 60 11 PHE HE1 H 6.421 0.04 1
100 60 11 PHE C C 177.111 0.4 1
101 60 11 PHE CA C 55.697 0.40 1
102 60 11 PHE CB C 38.649 0.40 1
103 60 11 PHE CD1 C 131.378 0.40 1
104 60 11 PHE CD2 C 129.694 0.40 1
105 60 11 PHE CE1 C 128.204 0.40 1
106 60 11 PHE N N 127.861 0.40 1
107 61 12 GLY H H 6.783 0.04 1
108 61 12 GLY HA2 H 4.272 0.04 2
109 61 12 GLY HA3 H 3.439 0.04 2
110 61 12 GLY C C 170.891 0.4 1
111 61 12 GLY CA C 45.205 0.40 1
112 61 12 GLY N N 104.234 0.40 1
113 62 13 SER H H 8.529 0.04 1
114 62 13 SER HA H 5.418 0.04 1
115 62 13 SER HB2 H 3.378 0.04 2
116 62 13 SER HB3 H 3.267 0.04 2
117 62 13 SER C C 181.522 0.4 1
118 62 13 SER CA C 57.826 0.40 1
119 62 13 SER CB C 68.082 0.40 1
120 62 13 SER N N 115.335 0.40 1
121 63 14 LEU H H 8.621 0.04 1
122 63 14 LEU HA H 4.335 0.04 1
123 63 14 LEU HB2 H 1.430 0.04 2
124 63 14 LEU HB3 H 1.127 0.04 2
125 63 14 LEU HD2 H 0.549 0.04 1
126 63 14 LEU HG H 0.327 0.04 1
127 63 14 LEU C C 178.806 0.4 1
128 63 14 LEU CA C 55.141 0.40 1
129 63 14 LEU CB C 48.540 0.40 1
130 63 14 LEU CD2 C 25.368 0.40 1
131 63 14 LEU CG C 27.299 0.40 1
132 63 14 LEU N N 121.002 0.40 1
133 64 15 ARG H H 8.280 0.04 1
134 64 15 ARG HA H 4.731 0.04 1
135 64 15 ARG HB2 H 1.622 0.04 2
136 64 15 ARG HB3 H 1.519 0.04 2
137 64 15 ARG HD2 H 2.898 0.04 2
138 64 15 ARG HD3 H 2.852 0.04 2
139 64 15 ARG HG2 H 1.220 0.04 2
140 64 15 ARG HG3 H 1.175 0.04 2
141 64 15 ARG C C 177.593 0.4 1
142 64 15 ARG CA C 55.706 0.40 1
143 64 15 ARG CB C 31.545 0.40 1
144 64 15 ARG CD C 43.811 0.40 1
145 64 15 ARG CG C 28.282 0.40 1
146 64 15 ARG N N 125.228 0.40 1
147 65 16 GLY H H 8.474 0.04 1
148 65 16 GLY HA2 H 4.287 0.04 2
149 65 16 GLY HA3 H 3.069 0.04 2
150 65 16 GLY C C 180.729 0.4 1
151 65 16 GLY CA C 45.570 0.40 1
152 65 16 GLY N N 112.391 0.40 1
153 66 17 HIS H H 6.777 0.04 1
154 66 17 HIS HA H 4.983 0.04 1
155 66 17 HIS HB2 H 2.611 0.04 2
156 66 17 HIS HB3 H 2.363 0.04 2
157 66 17 HIS C C 179.755 0.4 1
158 66 17 HIS CA C 57.869 0.40 1
159 66 17 HIS CB C 35.369 0.40 1
160 66 17 HIS N N 117.433 0.40 1
161 67 18 VAL H H 9.244 0.04 1
162 67 18 VAL HA H 4.074 0.04 1
163 67 18 VAL HB H 1.796 0.04 1
164 67 18 VAL HG1 H 0.485 0.04 1
165 67 18 VAL HG2 H 0.505 0.04 1
166 67 18 VAL CA C 62.392 0.40 1
167 67 18 VAL CB C 33.106 0.40 1
168 67 18 VAL CG1 C 22.414 0.40 1
169 67 18 VAL CG2 C 24.032 0.40 1
170 67 18 VAL N N 124.089 0.40 1
171 68 19 VAL HA H 4.964 0.04 1
172 68 19 VAL HB H 2.355 0.04 1
173 68 19 VAL HG1 H 0.775 0.04 1
174 68 19 VAL HG2 H 0.775 0.04 1
175 68 19 VAL CA C 60.068 0.40 1
176 68 19 VAL CB C 35.803 0.40 1
177 68 19 VAL CG1 C 22.555 0.40 1
178 68 19 VAL CG2 C 19.011 0.40 1
179 69 20 GLY HA2 H 3.632 0.04 2
180 69 20 GLY HA3 H 3.632 0.04 2
181 69 20 GLY C C 179.591 0.4 1
182 69 20 GLY CA C 46.142 0.40 1
183 70 21 LEU H H 7.733 0.04 1
184 70 21 LEU HA H 4.026 0.04 1
185 70 21 LEU HB2 H 1.267 0.04 2
186 70 21 LEU HB3 H 1.220 0.04 2
187 70 21 LEU HD1 H 0.565 0.04 1
188 70 21 LEU HD2 H 0.514 0.04 1
189 70 21 LEU HG H 1.226 0.04 1
190 70 21 LEU C C 176.298 0.4 1
191 70 21 LEU CA C 56.004 0.40 1
192 70 21 LEU CB C 43.281 0.40 1
193 70 21 LEU CD1 C 25.714 0.40 1
194 70 21 LEU CD2 C 24.368 0.40 1
195 70 21 LEU CG C 27.760 0.40 1
196 70 21 LEU N N 122.544 0.40 1
197 71 22 ARG H H 7.742 0.04 1
198 71 22 ARG HA H 4.078 0.04 1
199 71 22 ARG HB2 H 1.729 0.04 2
200 71 22 ARG HB3 H 1.729 0.04 2
201 71 22 ARG CA C 60.662 0.40 1
202 71 22 ARG CB C 33.603 0.40 1
203 71 22 ARG N N 123.705 0.40 1
204 72 23 TYR HA H 4.273 0.04 1
205 72 23 TYR HB2 H 2.756 0.04 2
206 72 23 TYR HB3 H 2.756 0.04 2
207 72 23 TYR CA C 56.774 0.40 1
208 72 23 TYR CB C 30.965 0.40 1
209 73 24 TYR HA H 4.532 0.04 1
210 73 24 TYR C C 177.629 0.4 1
211 73 24 TYR CA C 57.960 0.40 1
212 74 25 THR H H 8.286 0.04 1
213 74 25 THR HA H 4.346 0.04 1
214 74 25 THR HB H 4.186 0.04 1
215 74 25 THR HG2 H 0.827 0.04 1
216 74 25 THR C C 177.196 0.4 1
217 74 25 THR CA C 61.860 0.40 1
218 74 25 THR CB C 70.826 0.40 1
219 74 25 THR CG2 C 22.459 0.40 1
220 74 25 THR N N 108.151 0.40 1
221 75 26 GLY H H 7.524 0.04 1
222 75 26 GLY HA2 H 3.615 0.04 2
223 75 26 GLY HA3 H 2.791 0.04 2
224 75 26 GLY C C 176.403 0.4 1
225 75 26 GLY CA C 47.087 0.40 1
226 75 26 GLY N N 111.582 0.40 1
227 76 27 VAL H H 7.638 0.04 1
228 76 27 VAL HA H 4.109 0.04 1
229 76 27 VAL HB H 1.660 0.04 1
230 76 27 VAL HG1 H 0.532 0.04 1
231 76 27 VAL HG2 H 0.576 0.04 1
232 76 27 VAL C C 177.411 0.4 1
233 76 27 VAL CA C 61.916 0.40 1
234 76 27 VAL CB C 35.308 0.40 1
235 76 27 VAL CG1 C 22.202 0.40 1
236 76 27 VAL CG2 C 21.026 0.40 1
237 76 27 VAL N N 122.582 0.40 1
238 77 28 VAL H H 8.347 0.04 1
239 77 28 VAL HA H 4.041 0.04 1
240 77 28 VAL HB H 1.537 0.04 1
241 77 28 VAL HG1 H 0.593 0.04 1
242 77 28 VAL HG2 H 0.535 0.04 1
243 77 28 VAL C C 180.017 0.4 1
244 77 28 VAL CA C 61.338 0.40 1
245 77 28 VAL CB C 36.390 0.40 1
246 77 28 VAL CG1 C 22.833 0.40 1
247 77 28 VAL CG2 C 22.825 0.40 1
248 77 28 VAL N N 124.187 0.40 1
249 78 29 ASN H H 7.565 0.04 1
250 78 29 ASN HA H 4.515 0.04 1
251 78 29 ASN HB2 H 2.361 0.04 2
252 78 29 ASN HB3 H 2.067 0.04 2
253 78 29 ASN HD21 H 6.466 0.04 1
254 78 29 ASN HD22 H 7.674 0.04 2
255 78 29 ASN C C 179.706 0.4 1
256 78 29 ASN CA C 52.258 0.40 1
257 78 29 ASN CB C 42.030 0.40 1
258 78 29 ASN N N 122.162 0.40 1
259 78 29 ASN ND2 N 116.655 0.04 1
260 79 30 ASN H H 8.022 0.04 1
261 79 30 ASN HA H 3.777 0.04 1
262 79 30 ASN HB2 H 2.245 0.04 2
263 79 30 ASN HB3 H 2.245 0.04 2
264 79 30 ASN HD21 H 6.613 0.04 1
265 79 30 ASN HD22 H 7.182 0.04 2
266 79 30 ASN C C 177.084 0.4 1
267 79 30 ASN CA C 55.862 0.40 1
268 79 30 ASN CB C 39.041 0.40 1
269 79 30 ASN N N 117.295 0.40 1
270 79 30 ASN ND2 N 112.254 0.04 1
271 80 31 ASN H H 8.602 0.04 1
272 80 31 ASN HA H 3.829 0.04 1
273 80 31 ASN HB2 H 2.703 0.04 2
274 80 31 ASN HB3 H 2.475 0.04 2
275 80 31 ASN HD21 H 6.384 0.04 1
276 80 31 ASN HD22 H 7.169 0.04 2
277 80 31 ASN C C 179.796 0.4 1
278 80 31 ASN CA C 55.864 0.40 1
279 80 31 ASN CB C 38.400 0.40 1
280 80 31 ASN N N 117.560 0.40 1
281 80 31 ASN ND2 N 112.817 0.04 1
282 81 32 GLU H H 7.187 0.04 1
283 81 32 GLU HA H 4.052 0.04 1
284 81 32 GLU HB2 H 1.811 0.04 2
285 81 32 GLU HB3 H 1.617 0.04 2
286 81 32 GLU HG2 H 2.153 0.04 2
287 81 32 GLU HG3 H 1.925 0.04 2
288 81 32 GLU C C 178.208 0.4 1
289 81 32 GLU CA C 56.925 0.40 1
290 81 32 GLU CB C 33.586 0.40 1
291 81 32 GLU CG C 38.800 0.40 1
292 81 32 GLU N N 120.046 0.40 1
293 82 33 MET H H 7.824 0.04 1
294 82 33 MET HA H 4.623 0.04 1
295 82 33 MET HB2 H 1.750 0.04 2
296 82 33 MET HB3 H 1.713 0.04 2
297 82 33 MET HE H 1.725 0.04 1
298 82 33 MET HG2 H 2.335 0.04 2
299 82 33 MET HG3 H 2.288 0.04 2
300 82 33 MET C C 178.123 0.4 1
301 82 33 MET CA C 56.549 0.40 1
302 82 33 MET CB C 34.461 0.40 1
303 82 33 MET CE C 17.832 0.40 1
304 82 33 MET CG C 32.906 0.40 1
305 82 33 MET N N 121.992 0.40 1
306 83 34 VAL H H 7.359 0.04 1
307 83 34 VAL HA H 4.256 0.04 1
308 83 34 VAL HB H 1.791 0.04 1
309 83 34 VAL HG1 H 0.349 0.04 1
310 83 34 VAL HG2 H 0.070 0.04 1
311 83 34 VAL C C 179.442 0.4 1
312 83 34 VAL CA C 59.754 0.40 1
313 83 34 VAL CB C 34.831 0.40 1
314 83 34 VAL CG1 C 23.451 0.40 1
315 83 34 VAL CG2 C 19.365 0.40 1
316 83 34 VAL N N 112.575 0.40 1
317 84 35 ALA H H 8.542 0.04 1
318 84 35 ALA HA H 4.400 0.04 1
319 84 35 ALA HB H 0.876 0.04 1
320 84 35 ALA C C 177.558 0.4 1
321 84 35 ALA CA C 51.358 0.40 1
322 84 35 ALA CB C 22.751 0.40 1
323 84 35 ALA N N 124.069 0.40 1
324 85 36 LEU H H 8.087 0.04 1
325 85 36 LEU HA H 4.693 0.04 1
326 85 36 LEU HB2 H 0.752 0.04 2
327 85 36 LEU HB3 H 0.752 0.04 2
328 85 36 LEU HD1 H 0.307 0.04 1
329 85 36 LEU HD2 H 0.299 0.04 1
330 85 36 LEU HG H 1.192 0.04 1
331 85 36 LEU C C 176.616 0.4 1
332 85 36 LEU CA C 54.443 0.40 1
333 85 36 LEU CB C 43.044 0.40 1
334 85 36 LEU CD1 C 25.830 0.40 1
335 85 36 LEU CD2 C 25.639 0.40 1
336 85 36 LEU CG C 29.038 0.40 1
337 85 36 LEU N N 122.994 0.40 1
338 86 37 GLN H H 8.457 0.04 1
339 86 37 GLN HA H 4.346 0.04 1
340 86 37 GLN HB2 H 1.516 0.04 2
341 86 37 GLN HB3 H 1.271 0.04 2
342 86 37 GLN HE21 H 7.134 0.04 1
343 86 37 GLN HE22 H 6.459 0.04 2
344 86 37 GLN HG2 H 2.015 0.04 2
345 86 37 GLN HG3 H 1.834 0.04 2
346 86 37 GLN C C 178.226 0.4 1
347 86 37 GLN CA C 54.997 0.40 1
348 86 37 GLN CB C 33.793 0.40 1
349 86 37 GLN CG C 34.189 0.40 1
350 86 37 GLN N N 124.367 0.40 1
351 86 37 GLN NE2 N 112.425 0.04 1
352 87 38 ARG H H 9.114 0.04 1
353 87 38 ARG HA H 3.833 0.04 1
354 87 38 ARG HB2 H 1.504 0.04 2
355 87 38 ARG HB3 H 1.381 0.04 2
356 87 38 ARG HD2 H 2.863 0.04 2
357 87 38 ARG HD3 H 2.863 0.04 2
358 87 38 ARG HG2 H 1.298 0.04 2
359 87 38 ARG HG3 H 1.298 0.04 2
360 87 38 ARG CA C 58.278 0.40 1
361 87 38 ARG CB C 32.536 0.40 1
362 87 38 ARG CD C 44.393 0.40 1
363 87 38 ARG CG C 28.034 0.40 1
364 87 38 ARG N N 130.110 0.40 1
365 89 40 PRO HA H 4.580 0.04 1
366 89 40 PRO HB2 H 2.047 0.04 2
367 89 40 PRO HB3 H 1.734 0.04 2
368 89 40 PRO HD2 H 3.567 0.04 2
369 89 40 PRO HD3 H 2.998 0.04 2
370 89 40 PRO HG2 H .642 0.04 2
371 89 40 PRO HG3 H 1.570 0.04 2
372 89 40 PRO C C 176.801 0.4 1
373 89 40 PRO CA C 64.237 0.40 1
374 89 40 PRO CB C 33.162 0.40 1
375 89 40 PRO CD C 51.308 0.40 1
376 89 40 PRO CG C 27.803 0.40 1
377 90 41 ASN H H 7.529 0.04 1
378 90 41 ASN HA H 4.443 0.04 1
379 90 41 ASN HB2 H 2.597 0.04 2
380 90 41 ASN HB3 H 2.349 0.04 2
381 90 41 ASN HD21 H 7.367 0.04 1
382 90 41 ASN HD22 H 6.640 0.04 2
383 90 41 ASN C C 178.962 0.4 1
384 90 41 ASN CA C 53.225 0.40 1
385 90 41 ASN CB C 39.739 0.40 1
386 90 41 ASN N N 116.135 0.40 1
387 90 41 ASN ND2 N 114.888 0.04 1
388 91 42 ASN H H 7.050 0.04 1
389 91 42 ASN HA H 4.295 0.04 1
390 91 42 ASN HB2 H 2.871 0.04 2
391 91 42 ASN HB3 H 2.841 0.04 2
392 91 42 ASN CA C 53.607 0.40 1
393 91 42 ASN CB C 40.260 0.40 1
394 91 42 ASN N N 124.902 0.40 1
395 92 43 PRO HA H 3.699 0.04 1
396 92 43 PRO HB2 H 0.769 0.04 2
397 92 43 PRO HB3 H 0.769 0.04 2
398 92 43 PRO HD2 H 3.593 0.04 2
399 92 43 PRO HD3 H 3.109 0.04 2
400 92 43 PRO HG2 H 1.448 0.04 2
401 92 43 PRO HG3 H 1.448 0.04 2
402 92 43 PRO C C 176.971 0.4 1
403 92 43 PRO CA C 64.739 0.40 1
404 92 43 PRO CB C 32.301 0.40 1
405 92 43 PRO CD C 51.627 0.40 1
406 92 43 PRO CG C 27.505 0.40 1
407 93 44 TYR H H 7.736 0.04 1
408 93 44 TYR HA H 3.686 0.04 1
409 93 44 TYR HD1 H 6.245 0.04 1
410 93 44 TYR HD2 H 6.245 0.04 1
411 93 44 TYR HE1 H 6.319 0.04 1
412 93 44 TYR HE2 H 6.319 0.04 1
413 93 44 TYR C C 177.313 0.4 1
414 93 44 TYR CA C 59.326 0.40 1
415 93 44 TYR CD1 C 132.068 0.40 1
416 93 44 TYR CE1 C 117.982 0.40 1
417 93 44 TYR N N 118.278 0.40 1
418 94 45 ASP H H 6.877 0.04 1
419 94 45 ASP HA H 4.156 0.04 1
420 94 45 ASP HB2 H 2.446 0.04 2
421 94 45 ASP HB3 H 2.129 0.04 2
422 94 45 ASP C C 178.107 0.4 1
423 94 45 ASP CA C 54.841 0.40 1
424 94 45 ASP CB C 43.213 0.40 1
425 94 45 ASP N N 118.049 0.40 1
426 95 46 LYS H H 8.437 0.04 1
427 95 46 LYS HA H 3.944 0.04 1
428 95 46 LYS HB2 H 1.594 0.04 2
429 95 46 LYS HB3 H 1.594 0.04 2
430 95 46 LYS HD2 H 1.376 0.04 2
431 95 46 LYS HD3 H 1.376 0.04 2
432 95 46 LYS HE2 H 2.678 0.04 2
433 95 46 LYS HE3 H 2.678 0.04 2
434 95 46 LYS HG2 H 1.194 0.04 2
435 95 46 LYS HG3 H 1.037 0.04 2
436 95 46 LYS C C 175.952 0.4 1
437 95 46 LYS CA C 59.082 0.40 1
438 95 46 LYS CB C 32.401 0.40 1
439 95 46 LYS CD C 30.030 0.40 1
440 95 46 LYS CE C 42.955 0.40 1
441 95 46 LYS CG C 24.840 0.40 1
442 95 46 LYS N N 127.783 0.40 1
443 96 47 ASN H H 7.942 0.04 1
444 96 47 ASN HA H 4.048 0.04 1
445 96 47 ASN HB2 H 2.682 0.04 2
446 96 47 ASN HB3 H 2.442 0.04 2
447 96 47 ASN C C 181.502 0.4 1
448 96 47 ASN CA C 54.086 0.40 1
449 96 47 ASN CB C 39.198 0.40 1
450 96 47 ASN N N 119.099 0.40 1
451 97 48 ALA H H 6.747 0.04 1
452 97 48 ALA HA H 3.383 0.04 1
453 97 48 ALA HB H 1.331 0.04 1
454 97 48 ALA CA C 54.669 0.40 1
455 97 48 ALA CB C 20.951 0.40 1
456 97 48 ALA N N 117.585 0.40 1
457 98 49 ILE HA H 4.005 0.04 1
458 98 49 ILE HB H 1.139 0.04 1
459 98 49 ILE HD1 H 0.485 0.04 1
460 98 49 ILE HG12 H 1.985 0.04 2
461 98 49 ILE HG13 H 1.985 0.04 2
462 98 49 ILE HG2 H 0.373 0.04 1
463 98 49 ILE CA C 62.645 0.40 1
464 98 49 ILE CB C 42.903 0.40 1
465 98 49 ILE CD1 C 18.052 0.40 1
466 98 49 ILE CG1 C 29.507 0.40 1
467 98 49 ILE CG2 C 19.746 0.40 1
468 99 50 LYS HA H 3.845 0.04 1
469 99 50 LYS HB2 H 1.151 0.04 2
470 99 50 LYS HB3 H 1.151 0.04 2
471 99 50 LYS HE2 H 2.542 0.04 2
472 99 50 LYS HE3 H 2.542 0.04 2
473 99 50 LYS C C 178.312 0.4 1
474 99 50 LYS CA C 57.522 0.40 1
475 99 50 LYS CB C 35.315 0.40 1
476 99 50 LYS CE C 42.492 0.40 1
477 100 51 VAL H H 7.336 0.04 1
478 100 51 VAL HA H 4.167 0.04 1
479 100 51 VAL HB H 0.997 0.04 1
480 100 51 VAL HG1 H 0.331 0.04 1
481 100 51 VAL HG2 H 0.237 0.04 1
482 100 51 VAL C C 179.498 0.4 1
483 100 51 VAL CA C 61.877 0.40 1
484 100 51 VAL CB C 33.349 0.40 1
485 100 51 VAL CG1 C 21.826 0.40 1
486 100 51 VAL CG2 C 21.283 0.40 1
487 100 51 VAL N N 120.743 0.40 1
488 101 52 ASN H H 8.961 0.04 1
489 101 52 ASN HA H 5.080 0.04 1
490 101 52 ASN HB2 H 2.182 0.04 2
491 101 52 ASN HB3 H 1.960 0.04 2
492 101 52 ASN C C 178.549 0.4 1
493 101 52 ASN CA C 51.442 0.40 1
494 101 52 ASN CB C 42.159 0.40 1
495 101 52 ASN N N 127.190 0.40 1
496 102 53 ASN H H 8.251 0.04 1
497 102 53 ASN HA H 4.559 0.04 1
498 102 53 ASN HB2 H 3.549 0.04 2
499 102 53 ASN HB3 H 2.206 0.04 2
500 102 53 ASN HD21 H 6.781 0.04 1
501 102 53 ASN HD22 H 8.040 0.04 2
502 102 53 ASN C C 175.452 0.4 1
503 102 53 ASN CA C 51.906 0.40 1
504 102 53 ASN CB C 40.036 0.40 1
505 102 53 ASN N N 118.137 0.40 1
506 102 53 ASN ND2 N 112.795 0.04 1
507 103 54 VAL H H 8.800 0.04 1
508 103 54 VAL HA H 3.520 0.04 1
509 103 54 VAL HB H 1.926 0.04 1
510 103 54 VAL HG1 H 0.661 0.04 1
511 103 54 VAL HG2 H 0.647 0.04 1
512 103 54 VAL C C 177.338 0.4 1
513 103 54 VAL CA C 65.717 0.40 1
514 103 54 VAL CB C 32.628 0.40 1
515 103 54 VAL CG1 C 21.776 0.40 1
516 103 54 VAL CG2 C 20.587 0.40 1
517 103 54 VAL N N 118.107 0.40 1
518 104 55 ASN H H 7.100 0.04 1
519 104 55 ASN HA H 4.498 0.04 1
520 104 55 ASN HB2 H 2.651 0.04 2
521 104 55 ASN HB3 H 2.288 0.04 2
522 104 55 ASN HD21 H 7.174 0.04 1
523 104 55 ASN HD22 H 6.583 0.04 2
524 104 55 ASN C C 178.127 0.4 1
525 104 55 ASN CA C 54.232 0.40 1
526 104 55 ASN CB C 40.129 0.40 1
527 104 55 ASN N N 117.849 0.40 1
528 104 55 ASN ND2 N 113.790 0.04 1
529 105 56 GLY H H 7.845 0.04 1
530 105 56 GLY HA2 H 3.932 0.04 2
531 105 56 GLY HA3 H 3.162 0.04 2
532 105 56 GLY C C 179.925 0.4 1
533 105 56 GLY CA C 46.063 0.40 1
534 105 56 GLY N N 108.087 0.40 1
535 106 57 ASN H H 7.642 0.04 1
536 106 57 ASN HA H 4.446 0.04 1
537 106 57 ASN HB2 H 2.436 0.04 2
538 106 57 ASN HB3 H 2.206 0.04 2
539 106 57 ASN HD21 H 6.688 0.04 1
540 106 57 ASN HD22 H 7.166 0.04 2
541 106 57 ASN C C 178.561 0.4 1
542 106 57 ASN CA C 52.933 0.40 1
543 106 57 ASN CB C 40.475 0.40 1
544 106 57 ASN N N 120.056 0.40 1
545 106 57 ASN ND2 N 112.653 0.04 1
546 107 58 GLN H H 8.627 0.04 1
547 107 58 GLN HA H 4.363 0.04 1
548 107 58 GLN CA C 59.015 0.40 1
549 107 58 GLN N N 127.499 0.40 1
550 108 59 VAL HA H 3.619 0.04 1
551 108 59 VAL HB H 1.230 0.04 1
552 108 59 VAL HG1 H 0.416 0.04 1
553 108 59 VAL HG2 H 0.323 0.04 1
554 108 59 VAL C C 178.681 0.4 1
555 108 59 VAL CA C 63.049 0.40 1
556 108 59 VAL CB C 35.009 0.40 1
557 108 59 VAL CG1 C 21.891 0.40 1
558 108 59 VAL CG2 C 21.891 0.40 1
559 109 60 GLY H H 6.503 0.04 1
560 109 60 GLY HA2 H 3.789 0.04 2
561 109 60 GLY HA3 H 3.762 0.04 2
562 109 60 GLY C C 180.180 0.4 1
563 109 60 GLY CA C 46.727 0.40 1
564 109 60 GLY N N 101.693 0.40 1
565 110 61 HIS H H 8.940 0.04 1
566 110 61 HIS HA H 5.093 0.04 1
567 110 61 HIS CA C 58.057 0.40 1
568 110 61 HIS N N 124.330 0.40 1
569 111 62 LEU HA H 3.921 0.04 1
570 111 62 LEU HB2 H 1.099 0.04 2
571 111 62 LEU HB3 H 1.043 0.04 2
572 111 62 LEU HD1 H -0.032 0.04 1
573 111 62 LEU HD2 H -0.164 0.04 1
574 111 62 LEU HG H 0.937 0.04 1
575 111 62 LEU CA C 56.960 0.40 1
576 111 62 LEU CB C 44.163 0.40 1
577 111 62 LEU CD1 C 25.818 0.40 1
578 111 62 LEU CD2 C 24.569 0.40 1
579 111 62 LEU CG C 27.564 0.40 1
580 112 63 LYS HA H 3.942 0.04 1
581 112 63 LYS HB2 H 1.525 0.04 2
582 112 63 LYS HB3 H 1.525 0.04 2
583 112 63 LYS HD2 H 1.591 0.04 2
584 112 63 LYS HD3 H 1.508 0.04 2
585 112 63 LYS HE2 H 2.839 0.04 2
586 112 63 LYS HE3 H 2.793 0.04 2
587 112 63 LYS HG2 H 1.498 0.04 2
588 112 63 LYS HG3 H 1.623 0.04 2
589 112 63 LYS CA C 58.545 0.40 1
590 112 63 LYS CB C 35.061 0.40 1
591 112 63 LYS CD C 31.055 0.40 1
592 112 63 LYS CE C 42.915 0.40 1
593 112 63 LYS CG C 26.209 0.40 1
594 113 64 LYS HA H 3.666 0.04 1
595 113 64 LYS HB2 H 1.860 0.04 2
596 113 64 LYS HB3 H 1.569 0.04 2
597 113 64 LYS HD2 H 1.576 0.04 2
598 113 64 LYS HD3 H 1.464 0.04 2
599 113 64 LYS HE2 H 2.766 0.04 2
600 113 64 LYS HE3 H 2.694 0.04 2
601 113 64 LYS HG2 H 1.284 0.04 2
602 113 64 LYS HG3 H 1.114 0.04 2
603 113 64 LYS C C 174.593 0.4 1
604 113 64 LYS CA C 62.261 0.40 1
605 113 64 LYS CB C 33.062 0.40 1
606 113 64 LYS CD C 30.661 0.40 1
607 113 64 LYS CE C 43.161 0.40 1
608 113 64 LYS CG C 25.203 0.40 1
609 114 65 GLU H H 9.541 0.04 1
610 114 65 GLU HA H 3.913 0.04 1
611 114 65 GLU HB2 H 1.991 0.04 2
612 114 65 GLU HB3 H 1.957 0.04 2
613 114 65 GLU HG2 H 2.389 0.04 2
614 114 65 GLU HG3 H 2.147 0.04 2
615 114 65 GLU C C 174.030 0.4 1
616 114 65 GLU CA C 61.828 0.40 1
617 114 65 GLU CB C 29.507 0.40 1
618 114 65 GLU CG C 38.224 0.40 1
619 114 65 GLU N N 122.402 0.40 1
620 115 66 LEU H H 7.001 0.04 1
621 115 66 LEU HA H 3.844 0.04 1
622 115 66 LEU HB2 H 1.486 0.04 2
623 115 66 LEU HB3 H 1.376 0.04 2
624 115 66 LEU HD2 H 0.097 0.04 1
625 115 66 LEU HG H 0.522 0.04 1
626 115 66 LEU C C 174.455 0.4 1
627 115 66 LEU CA C 57.459 0.40 1
628 115 66 LEU CB C 42.849 0.40 1
629 115 66 LEU CD2 C 23.943 0.40 1
630 115 66 LEU CG C 27.682 0.40 1
631 115 66 LEU N N 120.580 0.40 1
632 116 67 ALA H H 8.187 0.04 1
633 116 67 ALA HA H 3.576 0.04 1
634 116 67 ALA HB H 1.156 0.04 1
635 116 67 ALA C C 174.851 0.4 1
636 116 67 ALA CA C 56.916 0.40 1
637 116 67 ALA CB C 18.377 0.40 1
638 116 67 ALA N N 124.960 0.40 1
639 117 68 GLY H H 7.847 0.04 1
640 117 68 GLY HA2 H 3.413 0.04 2
641 117 68 GLY HA3 H 3.325 0.04 2
642 117 68 GLY C C 178.501 0.4 1
643 117 68 GLY CA C 47.656 0.40 1
644 117 68 GLY N N 102.790 0.40 1
645 118 69 ALA H H 6.712 0.04 1
646 118 69 ALA HA H 3.353 0.04 1
647 118 69 ALA HB H 1.032 0.04 1
648 118 69 ALA C C 174.964 0.4 1
649 118 69 ALA CA C 53.780 0.40 1
650 118 69 ALA CB C 21.389 0.40 1
651 118 69 ALA N N 121.732 0.40 1
652 119 70 LEU H H 7.730 0.04 1
653 119 70 LEU HA H 3.702 0.04 1
654 119 70 LEU HB2 H 1.127 0.04 2
655 119 70 LEU HB3 H 1.001 0.04 2
656 119 70 LEU HD1 H 0.403 0.04 1
657 119 70 LEU HD2 H 0.432 0.04 1
658 119 70 LEU HG H 1.400 0.04 1
659 119 70 LEU C C 174.274 0.4 1
660 119 70 LEU CA C 57.950 0.40 1
661 119 70 LEU CB C 43.381 0.40 1
662 119 70 LEU CD1 C 25.845 0.40 1
663 119 70 LEU CD2 C 25.661 0.40 1
664 119 70 LEU CG C 29.170 0.40 1
665 119 70 LEU N N 115.680 0.40 1
666 120 71 ALA H H 8.655 0.04 1
667 120 71 ALA HA H 3.401 0.04 1
668 120 71 ALA HB H 1.173 0.04 1
669 120 71 ALA C C 175.061 0.4 1
670 120 71 ALA CA C 58.556 0.40 1
671 120 71 ALA CB C 17.322 0.40 1
672 120 71 ALA N N 126.264 0.40 1
673 121 72 TYR H H 7.802 0.04 1
674 121 72 TYR HA H 3.812 0.04 1
675 121 72 TYR HB2 H 2.973 0.04 2
676 121 72 TYR HB3 H 2.313 0.04 2
677 121 72 TYR HD1 H 6.526 0.04 1
678 121 72 TYR HE1 H 6.508 0.04 1
679 121 72 TYR HE2 H 6.416 0.04 1
680 121 72 TYR C C 174.705 0.4 1
681 121 72 TYR CA C 62.445 0.40 1
682 121 72 TYR CB C 41.220 0.40 1
683 121 72 TYR CD1 C 132.647 0.40 1
684 121 72 TYR CE1 C 118.587 0.40 1
685 121 72 TYR CE2 C 118.679 0.40 1
686 121 72 TYR N N 117.283 0.40 1
687 122 73 ILE H H 6.680 0.04 1
688 122 73 ILE HA H 3.221 0.04 1
689 122 73 ILE HB H 1.968 0.04 1
690 122 73 ILE HD1 H 0.736 0.04 1
691 122 73 ILE HG12 H 0.919 0.04 2
692 122 73 ILE HG13 H 0.919 0.04 2
693 122 73 ILE HG2 H 0.716 0.04 1
694 122 73 ILE C C 176.419 0.4 1
695 122 73 ILE CA C 65.716 0.40 1
696 122 73 ILE CB C 39.311 0.40 1
697 122 73 ILE CD1 C 15.214 0.40 1
698 122 73 ILE CG1 C 30.942 0.40 1
699 122 73 ILE CG2 C 19.603 0.40 1
700 122 73 ILE N N 118.461 0.40 1
701 123 74 MET H H 7.844 0.04 1
702 123 74 MET HA H 3.928 0.04 1
703 123 74 MET HB2 H 2.076 0.04 2
704 123 74 MET HB3 H 2.076 0.04 2
705 123 74 MET HE H 1.681 0.04 1
706 123 74 MET C C 173.082 0.4 1
707 123 74 MET CA C 60.472 0.40 1
708 123 74 MET CB C 34.512 0.40 1
709 123 74 MET CE C 17.788 0.40 1
710 123 74 MET N N 118.782 0.40 1
711 124 75 ASP H H 8.945 0.04 1
712 124 75 ASP HA H 4.036 0.04 1
713 124 75 ASP HB2 H 2.288 0.04 2
714 124 75 ASP HB3 H 2.288 0.04 2
715 124 75 ASP C C 176.032 0.4 1
716 124 75 ASP CA C 58.130 0.40 1
717 124 75 ASP CB C 40.183 0.40 1
718 124 75 ASP N N 122.688 0.40 1
719 125 76 ASN H H 6.832 0.04 1
720 125 76 ASN HA H 4.366 0.04 1
721 125 76 ASN HB2 H 2.308 0.04 2
722 125 76 ASN HB3 H 1.719 0.04 2
723 125 76 ASN HD21 H 5.965 0.04 1
724 125 76 ASN HD22 H 6.494 0.04 2
725 125 76 ASN C C 181.188 0.4 1
726 125 76 ASN CA C 54.253 0.40 1
727 125 76 ASN CB C 39.558 0.40 1
728 125 76 ASN N N 114.207 0.40 1
729 125 76 ASN ND2 N 117.114 0.04 1
730 126 77 LYS H H 7.445 0.04 1
731 126 77 LYS HA H 3.644 0.04 1
732 126 77 LYS HB2 H 1.420 0.04 2
733 126 77 LYS HB3 H 1.345 0.04 2
734 126 77 LYS HD2 H 1.615 0.04 2
735 126 77 LYS HD3 H 1.615 0.04 2
736 126 77 LYS HE2 H 2.701 0.04 2
737 126 77 LYS HE3 H 2.701 0.04 2
738 126 77 LYS HG2 H 1.054 0.04 2
739 126 77 LYS HG3 H 1.054 0.04 2
740 126 77 LYS C C 177.049 0.4 1
741 126 77 LYS CA C 58.054 0.40 1
742 126 77 LYS CB C 30.106 0.40 1
743 126 77 LYS CD C 29.899 0.40 1
744 126 77 LYS CE C 43.144 0.40 1
745 126 77 LYS CG C 25.885 0.40 1
746 126 77 LYS N N 117.474 0.40 1
747 127 78 LEU H H 8.100 0.04 1
748 127 78 LEU HA H 3.893 0.04 1
749 127 78 LEU HB2 H 1.318 0.04 2
750 127 78 LEU HB3 H 1.228 0.04 2
751 127 78 LEU HD1 H 0.553 0.04 1
752 127 78 LEU HD2 H 0.490 0.04 1
753 127 78 LEU HG H 1.085 0.04 1
754 127 78 LEU C C 176.535 0.4 1
755 127 78 LEU CA C 57.024 0.40 1
756 127 78 LEU CB C 44.989 0.40 1
757 127 78 LEU CD1 C 26.897 0.40 1
758 127 78 LEU CD2 C 22.798 0.40 1
759 127 78 LEU CG C 28.029 0.40 1
760 127 78 LEU N N 116.609 0.40 1
761 128 79 ALA H H 6.966 0.04 1
762 128 79 ALA HA H 4.565 0.04 1
763 128 79 ALA HB H 1.082 0.04 1
764 128 79 ALA C C 177.870 0.4 1
765 128 79 ALA CA C 51.936 0.40 1
766 128 79 ALA CB C 23.360 0.40 1
767 128 79 ALA N N 116.304 0.40 1
768 129 80 GLN H H 9.272 0.04 1
769 129 80 GLN HA H 4.199 0.04 1
770 129 80 GLN HB2 H 1.709 0.04 2
771 129 80 GLN HB3 H 1.591 0.04 2
772 129 80 GLN HG2 H 1.991 0.04 2
773 129 80 GLN HG3 H 1.944 0.04 2
774 129 80 GLN C C 178.649 0.4 1
775 129 80 GLN CA C 56.148 0.40 1
776 129 80 GLN CB C 31.046 0.40 1
777 129 80 GLN CG C 34.971 0.40 1
778 129 80 GLN N N 122.289 0.40 1
779 130 81 ILE H H 8.222 0.04 1
780 130 81 ILE HA H 4.403 0.04 1
781 130 81 ILE HB H 1.096 0.04 1
782 130 81 ILE HD1 H 0.308 0.04 1
783 130 81 ILE HG12 H 0.935 0.04 2
784 130 81 ILE HG13 H 0.935 0.04 2
785 130 81 ILE HG2 H -0.182 0.04 1
786 130 81 ILE C C 177.852 0.4 1
787 130 81 ILE CA C 61.104 0.40 1
788 130 81 ILE CB C 40.530 0.40 1
789 130 81 ILE CD1 C 15.504 0.40 1
790 130 81 ILE CG1 C 27.585 0.40 1
791 130 81 ILE CG2 C 18.648 0.40 1
792 130 81 ILE N N 125.022 0.40 1
793 131 82 GLU H H 8.518 0.04 1
794 131 82 GLU HA H 4.469 0.04 1
795 131 82 GLU HB2 H 1.727 0.04 2
796 131 82 GLU HB3 H 1.727 0.04 2
797 131 82 GLU HG2 H 1.894 0.04 2
798 131 82 GLU HG3 H 1.809 0.04 2
799 131 82 GLU C C 177.585 0.4 1
800 131 82 GLU CA C 55.013 0.40 1
801 131 82 GLU CB C 33.208 0.40 1
802 131 82 GLU CG C 37.080 0.40 1
803 131 82 GLU N N 127.906 0.40 1
804 132 83 GLY H H 8.799 0.04 1
805 132 83 GLY HA2 H 4.892 0.04 2
806 132 83 GLY HA3 H 2.670 0.04 2
807 132 83 GLY C C 182.305 0.4 1
808 132 83 GLY CA C 45.493 0.40 1
809 132 83 GLY N N 111.037 0.40 1
810 133 84 VAL H H 8.206 0.04 1
811 133 84 VAL HA H 4.450 0.04 1
812 133 84 VAL HB H 1.549 0.04 1
813 133 84 VAL HG1 H 0.473 0.04 1
814 133 84 VAL HG2 H 0.412 0.04 1
815 133 84 VAL C C 179.190 0.4 1
816 133 84 VAL CA C 60.787 0.40 1
817 133 84 VAL CB C 37.564 0.40 1
818 133 84 VAL CG1 C 22.407 0.40 1
819 133 84 VAL CG2 C 21.572 0.40 1
820 133 84 VAL N N 122.756 0.40 1
821 134 85 VAL H H 7.819 0.04 1
822 134 85 VAL HA H 4.279 0.04 1
823 134 85 VAL HG1 H 0.596 0.04 1
824 134 85 VAL CA C 60.264 0.40 1
825 134 85 VAL CG1 C 21.621 0.40 1
826 134 85 VAL N N 129.241 0.40 1
827 135 86 PRO HA H 4.017 0.04 1
828 135 86 PRO HB2 H 1.458 0.04 2
829 135 86 PRO HB3 H 1.458 0.04 2
830 135 86 PRO C C 177.816 0.4 1
831 135 86 PRO CA C 64.797 0.40 1
832 135 86 PRO CB C 33.057 0.40 1
833 136 87 PHE H H 6.978 0.04 1
834 136 87 PHE HA H 4.225 0.04 1
835 136 87 PHE HB2 H 2.973 0.04 2
836 136 87 PHE HB3 H 2.716 0.04 2
837 136 87 PHE HD1 H 6.781 0.04 1
838 136 87 PHE HD2 H 6.781 0.04 1
839 136 87 PHE HE1 H 6.985 0.04 1
840 136 87 PHE HE2 H 6.985 0.04 1
841 136 87 PHE CA C 57.128 0.40 1
842 136 87 PHE CB C 40.105 0.40 1
843 136 87 PHE CD1 C 132.197 0.40 1
844 136 87 PHE CE1 C 129.815 0.40 1
845 136 87 PHE N N 115.096 0.40 1
846 137 88 GLY HA2 H 3.567 0.04 2
847 137 88 GLY HA3 H 3.523 0.04 2
848 137 88 GLY C C 178.578 0.4 1
849 137 88 GLY CA C 46.724 0.40 1
850 138 89 ALA H H 7.946 0.04 1
851 138 89 ALA HA H 3.863 0.04 1
852 138 89 ALA HB H 0.935 0.04 1
853 138 89 ALA C C 176.085 0.4 1
854 138 89 ALA CA C 54.444 0.40 1
855 138 89 ALA CB C 19.644 0.40 1
856 138 89 ALA N N 122.534 0.40 1
857 139 90 ASN H H 7.876 0.04 1
858 139 90 ASN HA H 4.403 0.04 1
859 139 90 ASN HB2 H 2.514 0.04 2
860 139 90 ASN HB3 H 2.514 0.04 2
861 139 90 ASN HD21 H 7.272 0.04 1
862 139 90 ASN HD22 H 6.617 0.04 2
863 139 90 ASN C C 178.440 0.4 1
864 139 90 ASN CA C 53.615 0.40 1
865 139 90 ASN CB C 39.245 0.40 1
866 139 90 ASN N N 115.100 0.40 1
867 139 90 ASN ND2 N 113.750 0.04 1
868 140 91 ASN H H 7.726 0.04 1
869 140 91 ASN HA H 4.160 0.04 1
870 140 91 ASN HB2 H 2.738 0.04 2
871 140 91 ASN HB3 H 2.547 0.04 2
872 140 91 ASN C C 178.929 0.4 1
873 140 91 ASN CA C 54.341 0.40 1
874 140 91 ASN CB C 40.406 0.40 1
875 140 91 ASN N N 121.220 0.40 1
876 141 92 ALA H H 7.805 0.04 1
877 141 92 ALA HA H 3.672 0.04 1
878 141 92 ALA HB H 0.584 0.04 1
879 141 92 ALA CA C 54.091 0.40 1
880 141 92 ALA CB C 20.441 0.40 1
881 141 92 ALA N N 122.500 0.40 1
882 143 94 THR HA H 4.966 0.04 1
883 143 94 THR HB H 3.859 0.04 1
884 143 94 THR HG2 H 0.921 0.04 1
885 143 94 THR C C 181.231 0.4 1
886 143 94 THR CA C 60.811 0.40 1
887 143 94 THR CB C 72.946 0.40 1
888 143 94 THR CG2 C 22.593 0.40 1
889 144 95 MET H H 8.581 0.04 1
890 144 95 MET N N 122.739 0.40 1
891 145 96 PRO HA H 4.281 0.04 1
892 145 96 PRO HB2 H 1.784 0.04 2
893 145 96 PRO HB3 H 1.784 0.04 2
894 145 96 PRO C C 179.583 0.4 1
895 145 96 PRO CA C 63.506 0.40 1
896 145 96 PRO CB C 33.633 0.40 1
897 146 97 LEU H H 7.379 0.04 1
898 146 97 LEU HA H 4.370 0.04 1
899 146 97 LEU HB2 H 0.877 0.04 2
900 146 97 LEU HB3 H 0.816 0.04 2
901 146 97 LEU HD1 H 0.278 0.04 1
902 146 97 LEU HD2 H 0.237 0.04 1
903 146 97 LEU HG H 0.832 0.04 1
904 146 97 LEU C C 178.839 0.4 1
905 146 97 LEU CA C 54.239 0.40 1
906 146 97 LEU CB C 47.230 0.40 1
907 146 97 LEU CD1 C 27.193 0.40 1
908 146 97 LEU CD2 C 25.719 0.40 1
909 146 97 LEU CG C 28.587 0.40 1
910 146 97 LEU N N 117.560 0.40 1
911 147 98 HIS H H 8.984 0.04 1
912 147 98 HIS HA H 4.695 0.04 1
913 147 98 HIS HB2 H 2.890 0.04 2
914 147 98 HIS HB3 H 2.470 0.04 2
915 147 98 HIS C C 178.304 0.4 1
916 147 98 HIS CA C 56.532 0.40 1
917 147 98 HIS CB C 32.855 0.40 1
918 147 98 HIS N N 128.425 0.40 1
919 148 99 MET H H 8.571 0.04 1
920 148 99 MET HA H 5.111 0.04 1
921 148 99 MET HE H 1.411 0.04 1
922 148 99 MET C C 178.663 0.4 1
923 148 99 MET CA C 55.119 0.40 1
924 148 99 MET CE C 18.525 0.40 1
925 148 99 MET N N 127.451 0.40 1
926 149 100 THR H H 8.535 0.04 1
927 149 100 THR HA H 4.429 0.04 1
928 149 100 THR HB H 3.552 0.04 1
929 149 100 THR HG2 H 0.620 0.04 1
930 149 100 THR C C 181.000 0.4 1
931 149 100 THR CA C 61.935 0.40 1
932 149 100 THR CB C 71.497 0.40 1
933 149 100 THR CG2 C 23.627 0.40 1
934 149 100 THR N N 117.394 0.40 1
935 150 101 PHE H H 8.036 0.04 1
936 150 101 PHE HA H 4.766 0.04 1
937 150 101 PHE HB2 H 2.744 0.04 2
938 150 101 PHE HB3 H 2.241 0.04 2
939 150 101 PHE C C 179.673 0.4 1
940 150 101 PHE CA C 57.264 0.40 1
941 150 101 PHE CB C 43.314 0.40 1
942 150 101 PHE N N 123.479 0.40 1
943 151 102 TRP H H 8.684 0.04 1
944 151 102 TRP HA H 4.738 0.04 1
945 151 102 TRP HB2 H 2.639 0.04 2
946 151 102 TRP HB3 H 2.468 0.04 2
947 151 102 TRP HE1 H 9.713 0.04 1
948 151 102 TRP HE3 H 6.474 0.04 1
949 151 102 TRP HH2 H 6.834 0.04 1
950 151 102 TRP HZ2 H 7.094 0.04 1
951 151 102 TRP HZ3 H 6.667 0.04 1
952 151 102 TRP C C 178.095 0.4 1
953 151 102 TRP CA C 55.806 0.40 1
954 151 102 TRP CB C 33.733 0.40 1
955 151 102 TRP CH2 C 124.303 0.40 1
956 151 102 TRP CZ2 C 114.683 0.40 1
957 151 102 TRP CZ3 C 122.127 0.40 1
958 151 102 TRP N N 124.715 0.40 1
959 151 102 TRP NE1 N 130.176 0.04 1
960 152 103 GLY H H 8.032 0.04 1
961 152 103 GLY HA2 H 3.866 0.04 2
962 152 103 GLY HA3 H 3.691 0.04 2
963 152 103 GLY C C 181.937 0.4 1
964 152 103 GLY CA C 47.435 0.40 1
965 152 103 GLY N N 107.996 0.40 1
966 153 104 LYS H H 8.783 0.04 1
967 153 104 LYS HA H 4.409 0.04 1
968 153 104 LYS HB2 H 1.837 0.04 2
969 153 104 LYS HB3 H 1.435 0.04 2
970 153 104 LYS HD2 H 1.371 0.04 2
971 153 104 LYS HD3 H 1.371 0.04 2
972 153 104 LYS HE2 H 2.700 0.04 2
973 153 104 LYS HE3 H 2.700 0.04 2
974 153 104 LYS HG2 H 1.279 0.04 2
975 153 104 LYS HG3 H 1.279 0.04 2
976 153 104 LYS C C 174.722 0.4 1
977 153 104 LYS CA C 55.940 0.40 1
978 153 104 LYS CB C 34.494 0.40 1
979 153 104 LYS CD C 30.039 0.40 1
980 153 104 LYS CE C 42.996 0.40 1
981 153 104 LYS CG C 25.836 0.40 1
982 153 104 LYS N N 121.134 0.40 1
983 154 105 GLU H H 9.089 0.04 1
984 154 105 GLU HA H 3.728 0.04 1
985 154 105 GLU HB2 H 2.002 0.04 2
986 154 105 GLU HB3 H 1.703 0.04 2
987 154 105 GLU HG2 H 2.161 0.04 2
988 154 105 GLU HG3 H 1.953 0.04 2
989 154 105 GLU C C 174.970 0.4 1
990 154 105 GLU CA C 61.057 0.40 1
991 154 105 GLU CB C 30.593 0.40 1
992 154 105 GLU CG C 35.903 0.40 1
993 154 105 GLU N N 126.261 0.40 1
994 155 106 GLU H H 9.035 0.04 1
995 155 106 GLU HA H 3.942 0.04 1
996 155 106 GLU HB2 H 1.817 0.04 2
997 155 106 GLU HB3 H 1.742 0.04 2
998 155 106 GLU HG2 H 1.891 0.04 2
999 155 106 GLU HG3 H 1.891 0.04 2
1000 155 106 GLU C C 176.497 0.4 1
1001 155 106 GLU CA C 59.623 0.40 1
1002 155 106 GLU CB C 29.859 0.40 1
1003 155 106 GLU CG C 36.569 0.40 1
1004 155 106 GLU N N 116.126 0.40 1
1005 156 107 ASN H H 8.021 0.04 1
1006 156 107 ASN HA H 4.859 0.04 1
1007 156 107 ASN HB2 H 2.960 0.04 2
1008 156 107 ASN HB3 H 2.784 0.04 2
1009 156 107 ASN HD21 H 7.017 0.04 1
1010 156 107 ASN HD22 H 8.131 0.04 2
1011 156 107 ASN C C 179.188 0.4 1
1012 156 107 ASN CA C 53.994 0.40 1
1013 156 107 ASN CB C 41.180 0.40 1
1014 156 107 ASN N N 118.015 0.40 1
1015 156 107 ASN ND2 N 114.561 0.04 1
1016 157 108 ARG H H 7.429 0.04 1
1017 157 108 ARG HA H 1.930 0.04 1
1018 157 108 ARG HB2 H 1.312 0.04 2
1019 157 108 ARG HB3 H 1.261 0.04 2
1020 157 108 ARG HD2 H 3.004 0.04 2
1021 157 108 ARG HD3 H 2.655 0.04 2
1022 157 108 ARG HG2 H 0.723 0.04 2
1023 157 108 ARG HG3 H 0.533 0.04 2
1024 157 108 ARG C C 175.016 0.4 1
1025 157 108 ARG CA C 61.323 0.40 1
1026 157 108 ARG CB C 32.223 0.40 1
1027 157 108 ARG CD C 44.464 0.40 1
1028 157 108 ARG CG C 27.957 0.40 1
1029 157 108 ARG N N 123.975 0.40 1
1030 158 109 LYS H H 8.264 0.04 1
1031 158 109 LYS HA H 3.551 0.04 1
1032 158 109 LYS HB2 H 1.496 0.04 2
1033 158 109 LYS HB3 H 1.411 0.04 2
1034 158 109 LYS HD2 H 1.374 0.04 2
1035 158 109 LYS HD3 H 1.275 0.04 2
1036 158 109 LYS HE2 H 2.684 0.04 2
1037 158 109 LYS HE3 H 2.684 0.04 2
1038 158 109 LYS HG2 H 1.020 0.04 2
1039 158 109 LYS HG3 H 1.020 0.04 2
1040 158 109 LYS C C 175.837 0.4 1
1041 158 109 LYS CA C 60.282 0.40 1
1042 158 109 LYS CB C 32.560 0.40 1
1043 158 109 LYS CD C 29.937 0.40 1
1044 158 109 LYS CE C 43.137 0.40 1
1045 158 109 LYS CG C 25.762 0.40 1
1046 158 109 LYS N N 120.813 0.40 1
1047 159 110 ALA H H 7.850 0.04 1
1048 159 110 ALA HA H 3.829 0.04 1
1049 159 110 ALA HB H 1.230 0.04 1
1050 159 110 ALA C C 171.737 0.4 1
1051 159 110 ALA CA C 55.767 0.40 1
1052 159 110 ALA CB C 19.514 0.40 1
1053 159 110 ALA N N 122.231 0.40 1
1054 160 111 VAL H H 7.386 0.04 1
1055 160 111 VAL HA H 3.032 0.04 1
1056 160 111 VAL HB H 1.518 0.04 1
1057 160 111 VAL HG1 H 0.320 0.04 1
1058 160 111 VAL HG2 H 0.761 0.04 1
1059 160 111 VAL C C 176.546 0.4 1
1060 160 111 VAL CA C 68.162 0.40 1
1061 160 111 VAL CB C 32.262 0.40 1
1062 160 111 VAL CG1 C 21.695 0.40 1
1063 160 111 VAL CG2 C 26.986 0.40 1
1064 160 111 VAL N N 118.907 0.40 1
1065 161 112 SER H H 7.766 0.04 1
1066 161 112 SER HB2 H 3.556 0.04 2
1067 161 112 SER HB3 H 3.556 0.04 2
1068 161 112 SER C C 175.795 0.4 1
1069 161 112 SER CB C 63.611 0.40 1
1070 161 112 SER N N 115.833 0.40 1
1071 162 113 ASP H H 8.991 0.04 1
1072 162 113 ASP HA H 4.034 0.04 1
1073 162 113 ASP HB2 H 2.458 0.04 2
1074 162 113 ASP HB3 H 2.218 0.04 2
1075 162 113 ASP C C 174.634 0.4 1
1076 162 113 ASP CA C 58.127 0.40 1
1077 162 113 ASP CB C 40.879 0.40 1
1078 162 113 ASP N N 122.732 0.40 1
1079 163 114 GLN H H 7.298 0.04 1
1080 163 114 GLN HA H 3.929 0.04 1
1081 163 114 GLN HB2 H 1.878 0.04 2
1082 163 114 GLN HB3 H 1.742 0.04 2
1083 163 114 GLN HE21 H 6.665 0.04 1
1084 163 114 GLN HE22 H 7.364 0.04 2
1085 163 114 GLN HG2 H 2.248 0.04 2
1086 163 114 GLN HG3 H 2.062 0.04 2
1087 163 114 GLN C C 175.800 0.4 1
1088 163 114 GLN CA C 58.978 0.40 1
1089 163 114 GLN CB C 27.176 0.40 1
1090 163 114 GLN CG C 33.399 0.40 1
1091 163 114 GLN N N 121.757 0.40 1
1092 163 114 GLN NE2 N 116.183 0.04 1
1093 164 115 LEU H H 7.528 0.04 1
1094 164 115 LEU HA H 3.727 0.04 1
1095 164 115 LEU HB2 H 1.405 0.04 2
1096 164 115 LEU HB3 H 1.007 0.04 2
1097 164 115 LEU HD1 H -0.059 0.04 1
1098 164 115 LEU HD2 H 0.164 0.04 1
1099 164 115 LEU C C 173.531 0.4 1
1100 164 115 LEU CA C 59.423 0.40 1
1101 164 115 LEU CB C 41.502 0.40 1
1102 164 115 LEU CD1 C 27.222 0.40 1
1103 164 115 LEU CD2 C 23.795 0.40 1
1104 164 115 LEU N N 118.413 0.40 1
1105 165 116 LYS H H 8.162 0.04 1
1106 165 116 LYS HA H 3.913 0.04 1
1107 165 116 LYS HB2 H 1.721 0.04 2
1108 165 116 LYS HB3 H 1.626 0.04 2
1109 165 116 LYS HD2 H 1.368 0.04 2
1110 165 116 LYS HD3 H 1.368 0.04 2
1111 165 116 LYS HE2 H 2.624 0.04 2
1112 165 116 LYS HE3 H 2.624 0.04 2
1113 165 116 LYS HG2 H 1.211 0.04 2
1114 165 116 LYS HG3 H 1.126 0.04 2
1115 165 116 LYS C C 172.855 0.4 1
1116 165 116 LYS CA C 60.635 0.40 1
1117 165 116 LYS CB C 33.238 0.40 1
1118 165 116 LYS CD C 30.381 0.40 1
1119 165 116 LYS CE C 42.877 0.40 1
1120 165 116 LYS CG C 25.840 0.40 1
1121 165 116 LYS N N 122.741 0.40 1
1122 166 117 LYS H H 7.553 0.04 1
1123 166 117 LYS HA H 3.683 0.04 1
1124 166 117 LYS HB2 H 1.459 0.04 2
1125 166 117 LYS HB3 H 1.459 0.04 2
1126 166 117 LYS HD2 H 1.233 0.04 2
1127 166 117 LYS HD3 H 1.233 0.04 2
1128 166 117 LYS HE2 H 2.519 0.04 2
1129 166 117 LYS HE3 H 2.519 0.04 2
1130 166 117 LYS HG2 H 1.036 0.04 2
1131 166 117 LYS HG3 H 0.899 0.04 2
1132 166 117 LYS C C 176.599 0.4 1
1133 166 117 LYS CA C 59.701 0.40 1
1134 166 117 LYS CB C 33.059 0.40 1
1135 166 117 LYS CD C 30.339 0.40 1
1136 166 117 LYS CE C 42.845 0.40 1
1137 166 117 LYS CG C 25.747 0.40 1
1138 166 117 LYS N N 121.096 0.40 1
1139 167 118 HIS H H 7.040 0.04 1
1140 167 118 HIS HA H 4.177 0.04 1
1141 167 118 HIS HB2 H 3.413 0.04 2
1142 167 118 HIS HB3 H 2.656 0.04 2
1143 167 118 HIS C C 179.751 0.4 1
1144 167 118 HIS CA C 56.788 0.40 1
1145 167 118 HIS CB C 33.380 0.40 1
1146 167 118 HIS N N 116.253 0.40 1
1147 168 119 GLY H H 7.453 0.04 1
1148 168 119 GLY HA2 H 3.583 0.04 2
1149 168 119 GLY HA3 H 3.324 0.04 2
1150 168 119 GLY C C 179.606 0.4 1
1151 168 119 GLY CA C 46.427 0.40 1
1152 168 119 GLY N N 107.281 0.40 1
1153 169 120 PHE H H 7.674 0.04 1
1154 169 120 PHE HA H 4.536 0.04 1
1155 169 120 PHE HB2 H 2.617 0.04 2
1156 169 120 PHE HB3 H 2.268 0.04 2
1157 169 120 PHE C C 179.382 0.4 1
1158 169 120 PHE CA C 57.826 0.40 1
1159 169 120 PHE CB C 43.025 0.40 1
1160 169 120 PHE N N 120.414 0.40 1
1161 170 121 LYS H H 8.022 0.04 1
1162 170 121 LYS HA H 4.074 0.04 1
1163 170 121 LYS HB2 H 1.492 0.04 2
1164 170 121 LYS HB3 H 1.383 0.04 2
1165 170 121 LYS HD2 H 1.312 0.04 2
1166 170 121 LYS HD3 H 1.312 0.04 2
1167 170 121 LYS HE2 H 2.639 0.04 2
1168 170 121 LYS HE3 H 2.639 0.04 2
1169 170 121 LYS HG2 H 1.056 0.04 2
1170 170 121 LYS HG3 H 1.016 0.04 2
1171 170 121 LYS C C 179.500 0.4 1
1172 170 121 LYS CA C 56.606 0.40 1
1173 170 121 LYS CB C 35.665 0.40 1
1174 170 121 LYS CD C 30.226 0.40 1
1175 170 121 LYS CE C 42.925 0.40 1
1176 170 121 LYS CG C 24.721 0.40 1
1177 170 121 LYS N N 121.411 0.40 1
1178 171 122 LEU H H 7.572 0.04 1
1179 171 122 LEU HA H 4.333 0.04 1
1180 171 122 LEU HB2 H 1.221 0.04 2
1181 171 122 LEU HB3 H 1.132 0.04 2
1182 171 122 LEU HD2 H 0.346 0.04 1
1183 171 122 LEU HG H 0.444 0.04 1
1184 171 122 LEU C C 176.435 0.4 1
1185 171 122 LEU CA C 55.905 0.40 1
1186 171 122 LEU CB C 43.627 0.40 1
1187 171 122 LEU CD2 C 25.406 0.40 1
1188 171 122 LEU CG C 26.886 0.40 1
1189 171 122 LEU N N 129.302 0.40 1
stop_
save_