data_16920
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR structure of human Tra2beta1 RRM in complex with AAGAAC RNA
;
_BMRB_accession_number 16920
_BMRB_flat_file_name bmr16920.str
_Entry_type new
_Submission_date 2010-05-10
_Accession_date 2010-05-10
_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 Clery Antoine . .
2 Benderska Natalya . .
3 Jayne Sandrine . .
4 Dominguez Cyril . .
5 Stamm Stefan . .
6 Allain Frederic H.T. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 569
"13C chemical shifts" 280
"15N chemical shifts" 92
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-04-08 update BMRB 'update entry citation'
2011-03-24 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Molecular basis of purine-rich RNA recognition by the human SR-like protein Tra2-1.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 21399644
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Clery Antoine . .
2 Jayne Sandrine . .
3 Benderska Natalya . .
4 Dominguez Cyril . .
5 Stamm Stefan . .
6 Allain 'Frederic H-T' . .
stop_
_Journal_abbreviation 'Nat. Struct. Mol. Biol.'
_Journal_name_full 'Nature structural & molecular biology'
_Journal_volume 18
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 443
_Page_last 450
_Year 2011
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Tra2beta1 RRM in complex with AAGAAC RNA'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'RNA (5'-R(*AP*AP*GP*AP*AP*C)-3')' $RNA
Tra2beta1 $Tra2beta1
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_RNA
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class RNA
_Name_common RNA
_Molecular_mass 1922.268
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 6
_Mol_residue_sequence AAGAAC
loop_
_Residue_seq_code
_Residue_label
1 A 2 A 3 G 4 A 5 A
6 C
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
save_Tra2beta1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Tra2beta1
_Molecular_mass 10944.354
_Mol_thiol_state 'all free'
_Details .
_Residue_count 95
_Mol_residue_sequence
;
RHVGNRANPDPNCCLGVFGL
SLYTTERDLREVFSKYGPIA
DVSIVYDQQSRRSRGFAFVY
FENVDDAKEAKERANGMELD
GRRIRVDFSITKRPH
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 106 ARG 2 107 HIS 3 108 VAL 4 109 GLY 5 110 ASN
6 111 ARG 7 112 ALA 8 113 ASN 9 114 PRO 10 115 ASP
11 116 PRO 12 117 ASN 13 118 CYS 14 119 CYS 15 120 LEU
16 121 GLY 17 122 VAL 18 123 PHE 19 124 GLY 20 125 LEU
21 126 SER 22 127 LEU 23 128 TYR 24 129 THR 25 130 THR
26 131 GLU 27 132 ARG 28 133 ASP 29 134 LEU 30 135 ARG
31 136 GLU 32 137 VAL 33 138 PHE 34 139 SER 35 140 LYS
36 141 TYR 37 142 GLY 38 143 PRO 39 144 ILE 40 145 ALA
41 146 ASP 42 147 VAL 43 148 SER 44 149 ILE 45 150 VAL
46 151 TYR 47 152 ASP 48 153 GLN 49 154 GLN 50 155 SER
51 156 ARG 52 157 ARG 53 158 SER 54 159 ARG 55 160 GLY
56 161 PHE 57 162 ALA 58 163 PHE 59 164 VAL 60 165 TYR
61 166 PHE 62 167 GLU 63 168 ASN 64 169 VAL 65 170 ASP
66 171 ASP 67 172 ALA 68 173 LYS 69 174 GLU 70 175 ALA
71 176 LYS 72 177 GLU 73 178 ARG 74 179 ALA 75 180 ASN
76 181 GLY 77 182 MET 78 183 GLU 79 184 LEU 80 185 ASP
81 186 GLY 82 187 ARG 83 188 ARG 84 189 ILE 85 190 ARG
86 191 VAL 87 192 ASP 88 193 PHE 89 194 SER 90 195 ILE
91 196 THR 92 197 LYS 93 198 ARG 94 199 PRO 95 200 HIS
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 11400 "RNA recognition motif" 87.37 95 100.00 100.00 5.73e-53
BMRB 11409 "RNA recognition motif" 96.84 99 100.00 100.00 1.98e-60
BMRB 11410 "RNA recognition motif" 96.84 99 100.00 100.00 1.98e-60
BMRB 11411 "RNA recognition motif" 96.84 99 100.00 100.00 1.98e-60
BMRB 11412 "RNA recognition motif" 96.84 99 100.00 100.00 1.98e-60
BMRB 11413 "RNA recognition motif" 97.89 96 97.85 100.00 1.16e-59
PDB 2CQC "Solution Structure Of The Rna Recognition Motif In ArginineSERINE-Rich Splicing Factor 10" 87.37 95 100.00 100.00 5.73e-53
PDB 2KXN "Nmr Structure Of Human Tra2beta1 Rrm In Complex With Aagaac Rna" 100.00 129 100.00 100.00 2.98e-63
PDB 2RRA "Solution Structure Of Rna Binding Domain In Human Tra2 Beta Protein In Complex With Rna (Gaagaa)" 96.84 99 100.00 100.00 1.98e-60
PDB 2RRB "Refinement Of Rna Binding Domain In Human Tra2 Beta Protein" 97.89 96 97.85 100.00 1.16e-59
DBJ BAA08556 "RNA binding protein (transformer-2-like) [Rattus norvegicus]" 100.00 288 100.00 100.00 2.22e-62
DBJ BAC05256 "unnamed protein product [Homo sapiens]" 100.00 252 100.00 100.00 5.31e-62
DBJ BAC33819 "unnamed protein product [Mus musculus]" 100.00 288 100.00 100.00 2.22e-62
DBJ BAD92445 "splicing factor, arginine/serine-rich 10 (transformer 2 homolog, Drosophila) variant [Homo sapiens]" 100.00 278 100.00 100.00 4.11e-62
DBJ BAE88784 "unnamed protein product [Macaca fascicularis]" 100.00 288 100.00 100.00 2.88e-62
EMBL CAA56518 "SIG41 [Mus musculus]" 100.00 288 100.00 100.00 2.22e-62
EMBL CAH18071 "hypothetical protein [Homo sapiens]" 100.00 276 100.00 100.00 2.12e-62
EMBL CAH90742 "hypothetical protein [Pongo abelii]" 100.00 288 98.95 98.95 2.17e-61
GB AAB08701 "transformer-2 beta [Homo sapiens]" 100.00 288 100.00 100.00 2.22e-62
GB AAC28242 "htra2-beta [Homo sapiens]" 100.00 288 100.00 100.00 2.22e-62
GB AAD19277 "transformer-2-beta isoform 1 [Homo sapiens]" 100.00 288 100.00 100.00 2.22e-62
GB AAD19278 "transformer-2-beta isoform 3 [Homo sapiens]" 100.00 188 100.00 100.00 1.00e-61
GB AAG35783 "transformer-2 beta [Gallus gallus]" 100.00 289 97.89 100.00 1.70e-61
REF NP_001006878 "transformer-2 protein homolog beta [Xenopus (Silurana) tropicalis]" 100.00 293 97.89 100.00 1.03e-61
REF NP_001029948 "transformer-2 protein homolog beta [Bos taurus]" 100.00 288 100.00 100.00 2.22e-62
REF NP_001070689 "transformer-2 protein homolog beta [Sus scrofa]" 100.00 288 100.00 100.00 2.22e-62
REF NP_001125414 "transformer-2 protein homolog beta [Pongo abelii]" 100.00 288 98.95 98.95 2.17e-61
REF NP_001230808 "transformer-2 protein homolog beta isoform 2 [Homo sapiens]" 100.00 188 100.00 100.00 1.00e-61
SP P62995 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; Short=hTRA2-beta; AltName: Full=Splicing f" 100.00 288 100.00 100.00 2.22e-62
SP P62996 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Silica-induced gene 41 prote" 100.00 288 100.00 100.00 2.22e-62
SP P62997 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=RA301; AltName: Full=Splicin" 100.00 288 100.00 100.00 2.22e-62
SP Q3ZBT6 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Splicing factor, arginine/se" 100.00 288 100.00 100.00 2.22e-62
TPG DAA33375 "TPA: transformer-2 protein homolog beta [Bos taurus]" 100.00 288 100.00 100.00 2.22e-62
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Details
$RNA . . . . . . 'produced by Dharmacon'
$Tra2beta1 Human 9606 Eukaryota Metazoa . . .
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
$RNA 'chemical synthesis' . . . . .
$Tra2beta1 'recombinant technology' . . . 'BL21 codon+' .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
Final NMR buffer was:
20mM NaH2PO4, pH 5.5; L-Arg 50mM; L-Glu 50mM
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Tra2beta1 0.8 mM [U-15N]
$Tra2beta1 0.8 mM '[U-13C; U-15N]'
$RNA 0.8 mM 'natural abundance'
NaH2PO4 20 mM 'natural abundance'
L-Arg 50 mM 'natural abundance'
L-Glu 50 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_AMBER
_Saveframe_category software
_Name AMBER
_Version 8
loop_
_Vendor
_Address
_Electronic_address
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.0
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version 3.113
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 500
_Details 'with cryoprobe'
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details 'with cryoprobe'
save_
save_spectrometer_4
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 900
_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_2D_1H-1H_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(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_2D_1H-1H_TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_3D_HNCACB_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_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
temperature 313 . K
pH 5.5 . pH
pressure 1 . atm
'ionic strength' 120 . mM
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
water H 1 protons ppm 4.7 internal direct . . . 1.0
water C 13 protons ppm 4.7 internal indirect . . . 0.25144954
water N 15 protons ppm 4.7 internal indirect . . . 0.10132900
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_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$SPARKY
stop_
loop_
_Experiment_label
'2D 1H-1H NOESY'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY'
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 'RNA (5'-R(*AP*AP*GP*AP*AP*C)-3')'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 A H1' H 5.914 0.002 1
2 1 1 A H2 H 7.920 0.003 1
3 1 1 A H2' H 4.813 0.003 1
4 1 1 A H3' H 4.596 0.002 1
5 1 1 A H4' H 4.445 0.005 1
6 1 1 A H5' H 4.036 0.008 2
7 1 1 A H5'' H 3.905 0.008 2
8 1 1 A H8 H 8.224 0.004 1
9 2 2 A H1' H 5.980 0.005 1
10 2 2 A H2 H 8.083 0.001 1
11 2 2 A H2' H 4.459 0.004 1
12 2 2 A H3' H 4.816 0.001 1
13 2 2 A H4' H 4.550 0.003 1
14 2 2 A H5' H 4.595 0.003 2
15 2 2 A H5'' H 4.259 0.006 2
16 2 2 A H8 H 7.850 0.003 1
17 3 3 G H1' H 5.270 0.002 1
18 3 3 G H2' H 4.333 0.005 1
19 3 3 G H3' H 4.777 0.003 1
20 3 3 G H4' H 3.862 0.001 1
21 3 3 G H5' H 4.143 0.003 2
22 3 3 G H5'' H 3.987 0.023 2
23 3 3 G H8 H 7.991 0.002 1
24 4 4 A H1' H 6.121 0.003 1
25 4 4 A H2 H 8.563 0.002 1
26 4 4 A H2' H 5.907 0.003 1
27 4 4 A H3' H 5.364 0.003 1
28 4 4 A H4' H 4.517 0.003 1
29 4 4 A H5' H 4.942 0.003 2
30 4 4 A H5'' H 4.660 0.004 2
31 4 4 A H8 H 8.890 0.009 1
32 5 5 A H1' H 6.186 0.002 1
33 5 5 A H2 H 8.236 0.002 1
34 5 5 A H2' H 4.546 0.014 1
35 5 5 A H3' H 4.863 0.003 1
36 5 5 A H4' H 4.767 0.002 1
37 5 5 A H8 H 8.607 0.008 1
38 6 6 C H1' H 6.006 0.003 1
39 6 6 C H2' H 4.348 0.002 1
40 6 6 C H3' H 4.421 0.005 1
41 6 6 C H5 H 6.184 0.004 1
42 6 6 C H5' H 4.264 0.004 2
43 6 6 C H5'' H 4.264 0.003 2
44 6 6 C H6 H 7.990 0.003 1
stop_
save_
save_assigned_chem_shift_list_1_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$SPARKY
stop_
loop_
_Experiment_label
'2D 1H-1H NOESY'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY'
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 Tra2beta1
_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
1 110 5 ASN H H 8.370 0.016 1
2 110 5 ASN HA H 4.726 0.030 1
3 110 5 ASN HB2 H 2.845 0.013 2
4 110 5 ASN HB3 H 2.948 0.008 2
5 110 5 ASN HD21 H 7.619 0.000 2
6 110 5 ASN HD22 H 6.975 0.000 2
7 110 5 ASN CA C 52.787 0.045 1
8 110 5 ASN CB C 38.797 0.002 1
9 110 5 ASN N N 119.060 0.002 1
10 110 5 ASN ND2 N 112.200 0.000 1
11 111 6 ARG H H 8.357 0.002 1
12 111 6 ARG HA H 4.133 0.004 1
13 111 6 ARG HB2 H 1.796 0.008 2
14 111 6 ARG HB3 H 1.919 0.007 2
15 111 6 ARG HD2 H 3.123 0.000 2
16 111 6 ARG HD3 H 3.234 0.003 2
17 111 6 ARG HG2 H 1.429 0.000 2
18 111 6 ARG HG3 H 1.633 0.000 2
19 111 6 ARG CA C 57.320 0.000 1
20 111 6 ARG CB C 30.760 0.071 1
21 111 6 ARG N N 120.812 0.001 1
22 112 7 ALA H H 8.037 0.005 1
23 112 7 ALA HA H 4.375 0.004 1
24 112 7 ALA HB H 1.469 0.010 2
25 112 7 ALA CA C 53.031 0.001 1
26 112 7 ALA CB C 19.222 0.044 1
27 112 7 ALA N N 122.060 0.017 1
28 113 8 ASN H H 8.155 0.004 1
29 113 8 ASN HA H 5.069 0.005 1
30 113 8 ASN HB2 H 2.737 0.006 2
31 113 8 ASN HB3 H 2.913 0.003 2
32 113 8 ASN HD21 H 7.613 0.000 2
33 113 8 ASN HD22 H 6.896 0.000 2
34 113 8 ASN CA C 51.887 0.019 1
35 113 8 ASN CB C 38.960 0.014 1
36 113 8 ASN N N 115.928 0.049 1
37 113 8 ASN ND2 N 112.639 0.059 1
38 114 9 PRO HD2 H 3.780 0.005 2
39 114 9 PRO HD3 H 3.924 0.003 2
40 114 9 PRO HG2 H 2.282 0.007 2
41 114 9 PRO HG3 H 2.282 0.007 2
42 114 9 PRO CD C 50.493 0.084 1
43 114 9 PRO CG C 28.007 0.000 1
44 115 10 ASP H H 8.259 0.002 1
45 115 10 ASP HB2 H 2.474 0.000 2
46 115 10 ASP HB3 H 2.677 0.000 2
47 115 10 ASP CB C 40.633 0.051 1
48 116 11 PRO HB2 H 1.518 0.009 2
49 116 11 PRO HB3 H 1.518 0.009 2
50 116 11 PRO HD2 H 3.567 0.004 2
51 116 11 PRO HD3 H 3.906 0.004 2
52 116 11 PRO HG2 H 2.024 0.000 2
53 116 11 PRO HG3 H 2.024 0.000 2
54 116 11 PRO CB C 32.018 0.000 1
55 116 11 PRO CD C 50.303 0.036 1
56 116 11 PRO CG C 27.688 0.233 1
57 117 12 ASN H H 8.245 0.003 1
58 117 12 ASN HA H 4.742 0.000 1
59 117 12 ASN HB2 H 2.477 0.001 2
60 117 12 ASN HB3 H 2.681 0.001 2
61 117 12 ASN CB C 40.611 0.017 1
62 117 12 ASN N N 121.588 0.051 1
63 118 13 CYS HA H 4.252 0.015 1
64 118 13 CYS HB2 H 3.288 0.000 2
65 118 13 CYS HB3 H 3.423 0.000 2
66 118 13 CYS CA C 61.585 0.015 1
67 118 13 CYS CB C 27.839 0.025 1
68 119 14 CYS H H 8.265 0.001 1
69 119 14 CYS HA H 5.094 0.003 1
70 119 14 CYS HB2 H 2.536 0.014 2
71 119 14 CYS HB3 H 3.010 0.009 2
72 119 14 CYS CA C 57.150 0.000 1
73 119 14 CYS CB C 29.466 0.029 1
74 119 14 CYS N N 120.941 0.038 1
75 120 15 LEU H H 9.359 0.003 1
76 120 15 LEU HA H 4.997 0.010 1
77 120 15 LEU HB2 H 1.209 0.007 2
78 120 15 LEU HB3 H 1.427 0.008 2
79 120 15 LEU HD1 H 0.702 0.007 2
80 120 15 LEU HD2 H 0.808 0.008 2
81 120 15 LEU HG H 1.796 0.007 1
82 120 15 LEU CA C 52.908 0.010 1
83 120 15 LEU CB C 43.362 0.029 1
84 120 15 LEU CD1 C 24.237 0.023 2
85 120 15 LEU CD2 C 26.656 0.014 2
86 120 15 LEU CG C 26.761 0.021 1
87 120 15 LEU N N 128.461 0.025 1
88 121 16 GLY H H 9.075 0.004 1
89 121 16 GLY HA2 H 3.792 0.003 2
90 121 16 GLY HA3 H 3.792 0.003 2
91 121 16 GLY CA C 44.951 0.001 1
92 121 16 GLY N N 109.324 0.006 1
93 122 17 VAL H H 7.886 0.006 1
94 122 17 VAL HA H 4.199 0.008 1
95 122 17 VAL HB H 1.368 0.008 1
96 122 17 VAL HG1 H 0.777 0.004 2
97 122 17 VAL HG2 H 0.348 0.003 2
98 122 17 VAL CA C 60.610 0.000 1
99 122 17 VAL CB C 32.704 0.016 1
100 122 17 VAL CG1 C 23.743 0.029 2
101 122 17 VAL CG2 C 20.831 0.014 2
102 122 17 VAL N N 124.058 0.007 1
103 123 18 PHE H H 9.214 0.005 1
104 123 18 PHE HA H 4.622 0.017 1
105 123 18 PHE HB2 H 2.420 0.022 2
106 123 18 PHE HB3 H 2.420 0.022 2
107 123 18 PHE HD1 H 6.213 0.013 3
108 123 18 PHE HD2 H 6.213 0.013 3
109 123 18 PHE HE1 H 6.060 0.009 3
110 123 18 PHE HE2 H 6.060 0.009 3
111 123 18 PHE HZ H 5.115 0.009 1
112 123 18 PHE CA C 55.700 0.000 1
113 123 18 PHE CB C 41.748 0.000 1
114 123 18 PHE CD1 C 131.300 0.024 3
115 123 18 PHE CE1 C 128.874 0.000 3
116 123 18 PHE N N 122.940 0.014 1
117 124 19 GLY H H 9.610 0.026 1
118 124 19 GLY HA2 H 3.925 0.005 2
119 124 19 GLY HA3 H 4.167 0.009 2
120 124 19 GLY CA C 45.490 0.031 1
121 124 19 GLY N N 108.667 0.014 1
122 125 20 LEU H H 7.690 0.011 1
123 125 20 LEU HA H 4.216 0.006 1
124 125 20 LEU HB2 H 1.179 0.009 2
125 125 20 LEU HB3 H 1.419 0.011 2
126 125 20 LEU HD1 H 0.406 0.002 2
127 125 20 LEU HD2 H 0.780 0.003 2
128 125 20 LEU HG H 1.317 0.016 1
129 125 20 LEU CA C 54.124 0.000 1
130 125 20 LEU CB C 43.534 0.019 1
131 125 20 LEU CD1 C 26.338 0.024 2
132 125 20 LEU CD2 C 23.836 0.000 2
133 125 20 LEU CG C 26.888 0.000 1
134 125 20 LEU N N 115.666 0.029 1
135 126 21 SER H H 9.269 0.018 1
136 126 21 SER HA H 4.408 0.007 1
137 126 21 SER HB2 H 4.228 0.007 2
138 126 21 SER HB3 H 4.228 0.007 2
139 126 21 SER CA C 57.561 0.031 1
140 126 21 SER CB C 63.721 0.006 1
141 126 21 SER N N 114.679 0.007 1
142 127 22 LEU H H 8.893 0.007 1
143 127 22 LEU HA H 3.961 0.021 1
144 127 22 LEU HB2 H 1.381 0.001 2
145 127 22 LEU HB3 H 1.381 0.001 2
146 127 22 LEU HD1 H 0.737 0.003 2
147 127 22 LEU HD2 H 0.918 0.020 2
148 127 22 LEU HG H 1.699 0.030 1
149 127 22 LEU CA C 56.830 0.000 1
150 127 22 LEU CB C 40.158 0.010 1
151 127 22 LEU CD1 C 21.849 0.023 2
152 127 22 LEU CD2 C 24.835 0.033 2
153 127 22 LEU CG C 26.855 0.033 1
154 127 22 LEU N N 125.379 0.006 1
155 128 23 TYR H H 7.857 0.003 1
156 128 23 TYR HA H 4.627 0.002 1
157 128 23 TYR HB2 H 2.804 0.008 2
158 128 23 TYR HB3 H 3.353 0.007 2
159 128 23 TYR HD1 H 7.194 0.018 3
160 128 23 TYR HD2 H 7.194 0.018 3
161 128 23 TYR HE1 H 6.928 0.000 3
162 128 23 TYR HE2 H 6.928 0.000 3
163 128 23 TYR CA C 57.413 0.027 1
164 128 23 TYR CB C 38.506 0.013 1
165 128 23 TYR CD1 C 133.077 0.016 3
166 128 23 TYR CE1 C 118.235 0.019 3
167 128 23 TYR N N 114.939 0.005 1
168 129 24 THR H H 7.135 0.003 1
169 129 24 THR HA H 4.388 0.006 1
170 129 24 THR HB H 3.906 0.002 1
171 129 24 THR HG2 H 1.355 0.002 2
172 129 24 THR CA C 64.706 0.000 1
173 129 24 THR CB C 69.339 0.017 1
174 129 24 THR CG2 C 23.289 0.014 1
175 129 24 THR N N 119.310 0.002 1
176 130 25 THR H H 9.236 0.018 1
177 130 25 THR HA H 4.723 0.031 1
178 130 25 THR HB H 4.383 0.006 1
179 130 25 THR HG2 H 1.470 0.004 2
180 130 25 THR CA C 60.617 0.000 1
181 130 25 THR CB C 68.720 0.006 1
182 130 25 THR CG2 C 21.747 0.036 1
183 130 25 THR N N 119.668 0.006 1
184 131 26 GLU H H 9.618 0.011 1
185 131 26 GLU HA H 3.740 0.003 1
186 131 26 GLU HB2 H 2.291 0.007 2
187 131 26 GLU HB3 H 2.015 0.004 2
188 131 26 GLU HG2 H 2.584 0.002 2
189 131 26 GLU HG3 H 2.329 0.003 2
190 131 26 GLU CA C 61.147 0.029 1
191 131 26 GLU CB C 28.635 0.030 1
192 131 26 GLU CG C 37.312 0.019 1
193 131 26 GLU N N 121.153 0.002 1
194 132 27 ARG H H 8.177 0.001 1
195 132 27 ARG HA H 4.039 0.004 1
196 132 27 ARG HB2 H 1.819 0.002 2
197 132 27 ARG HB3 H 2.003 0.018 2
198 132 27 ARG HD2 H 3.167 0.009 2
199 132 27 ARG HD3 H 3.212 0.016 2
200 132 27 ARG HG2 H 1.703 0.008 2
201 132 27 ARG HG3 H 1.703 0.008 2
202 132 27 ARG CA C 59.534 0.000 1
203 132 27 ARG CB C 29.950 0.000 1
204 132 27 ARG CD C 42.591 0.013 1
205 132 27 ARG CG C 26.627 0.000 1
206 132 27 ARG N N 119.257 0.062 1
207 133 28 ASP H H 7.498 0.003 1
208 133 28 ASP HA H 4.441 0.005 1
209 133 28 ASP HB2 H 2.734 0.001 2
210 133 28 ASP HB3 H 3.164 0.003 2
211 133 28 ASP CA C 57.408 0.041 1
212 133 28 ASP CB C 41.235 0.023 1
213 133 28 ASP N N 119.367 0.003 1
214 134 29 LEU H H 7.695 0.009 1
215 134 29 LEU HA H 4.153 0.003 1
216 134 29 LEU HB2 H 1.271 0.007 2
217 134 29 LEU HB3 H 1.995 0.004 2
218 134 29 LEU HD1 H 0.516 0.003 2
219 134 29 LEU HD2 H 0.740 0.007 2
220 134 29 LEU HG H 1.684 0.011 1
221 134 29 LEU CA C 57.550 0.035 1
222 134 29 LEU CB C 42.688 0.032 1
223 134 29 LEU CD1 C 26.303 0.038 2
224 134 29 LEU CD2 C 23.544 0.025 2
225 134 29 LEU CG C 26.755 0.033 1
226 134 29 LEU N N 117.157 0.003 1
227 135 30 ARG H H 8.739 0.003 1
228 135 30 ARG HA H 3.827 0.004 1
229 135 30 ARG HB2 H 2.012 0.012 2
230 135 30 ARG HB3 H 2.012 0.012 2
231 135 30 ARG HD2 H 3.201 0.000 2
232 135 30 ARG HD3 H 3.364 0.000 2
233 135 30 ARG HE H 7.873 0.000 1
234 135 30 ARG HG2 H 1.582 0.001 2
235 135 30 ARG HG3 H 1.644 0.014 2
236 135 30 ARG CA C 60.610 0.000 1
237 135 30 ARG CB C 30.170 0.000 1
238 135 30 ARG CD C 43.123 0.085 1
239 135 30 ARG CG C 29.412 0.057 1
240 135 30 ARG N N 119.830 0.025 1
241 135 30 ARG NE N 118.267 0.000 1
242 136 31 GLU H H 8.194 0.002 1
243 136 31 GLU HA H 4.041 0.000 1
244 136 31 GLU HB2 H 2.216 0.009 2
245 136 31 GLU HB3 H 2.267 0.017 2
246 136 31 GLU HG2 H 2.347 0.021 2
247 136 31 GLU HG3 H 2.418 0.012 2
248 136 31 GLU CA C 59.650 0.000 1
249 136 31 GLU CB C 29.510 0.000 1
250 136 31 GLU CG C 36.250 0.000 1
251 136 31 GLU N N 119.300 0.000 1
252 137 32 VAL H H 7.617 0.014 1
253 137 32 VAL HA H 3.830 0.002 1
254 137 32 VAL HB H 2.048 0.006 1
255 137 32 VAL HG1 H 0.563 0.002 2
256 137 32 VAL HG2 H 1.114 0.002 2
257 137 32 VAL CA C 65.575 0.035 1
258 137 32 VAL CB C 32.635 0.038 1
259 137 32 VAL CG1 C 20.940 0.012 2
260 137 32 VAL CG2 C 22.415 0.005 2
261 137 32 VAL N N 116.072 0.006 1
262 138 33 PHE H H 8.520 0.006 1
263 138 33 PHE HA H 4.598 0.016 1
264 138 33 PHE HB2 H 2.913 0.003 2
265 138 33 PHE HB3 H 3.413 0.004 2
266 138 33 PHE HD1 H 7.661 0.010 3
267 138 33 PHE HD2 H 7.661 0.010 3
268 138 33 PHE HE1 H 6.969 0.024 3
269 138 33 PHE HE2 H 6.969 0.024 3
270 138 33 PHE HZ H 7.470 0.011 1
271 138 33 PHE CA C 62.920 0.000 1
272 138 33 PHE CB C 38.541 0.040 1
273 138 33 PHE CD1 C 131.100 0.029 3
274 138 33 PHE CE1 C 130.565 0.000 3
275 138 33 PHE CZ C 131.412 0.000 1
276 138 33 PHE N N 114.967 0.002 1
277 139 34 SER H H 8.390 0.008 1
278 139 34 SER HA H 4.901 0.003 1
279 139 34 SER HB2 H 4.115 0.009 2
280 139 34 SER HB3 H 4.166 0.007 2
281 139 34 SER CA C 61.110 0.026 1
282 139 34 SER CB C 63.076 0.026 1
283 139 34 SER N N 114.913 0.065 1
284 140 35 LYS H H 6.988 0.006 1
285 140 35 LYS HA H 4.035 0.001 1
286 140 35 LYS HB2 H 1.381 0.014 2
287 140 35 LYS HB3 H 1.413 0.000 2
288 140 35 LYS HE2 H 2.954 0.012 2
289 140 35 LYS HE3 H 2.954 0.012 2
290 140 35 LYS HG2 H 1.098 0.007 2
291 140 35 LYS HG3 H 1.179 0.015 2
292 140 35 LYS CA C 57.780 0.000 1
293 140 35 LYS CB C 31.790 0.000 1
294 140 35 LYS CE C 42.041 0.000 1
295 140 35 LYS CG C 23.993 0.034 1
296 140 35 LYS N N 119.371 0.019 1
297 141 36 TYR H H 7.687 0.009 1
298 141 36 TYR HA H 4.546 0.017 1
299 141 36 TYR HB2 H 3.099 0.010 2
300 141 36 TYR HB3 H 3.415 0.008 2
301 141 36 TYR HD1 H 7.448 0.014 3
302 141 36 TYR HD2 H 7.448 0.014 3
303 141 36 TYR HE1 H 6.559 0.001 3
304 141 36 TYR HE2 H 6.559 0.001 3
305 141 36 TYR CA C 58.986 0.000 1
306 141 36 TYR CB C 38.762 0.037 1
307 141 36 TYR CD1 C 132.986 0.026 3
308 141 36 TYR CE1 C 118.028 0.002 3
309 141 36 TYR N N 116.207 0.053 1
310 142 37 GLY H H 7.415 0.008 1
311 142 37 GLY HA2 H 3.995 0.002 2
312 142 37 GLY HA3 H 4.934 0.014 2
313 142 37 GLY CA C 44.716 0.076 1
314 142 37 GLY N N 106.300 0.001 1
315 143 38 PRO HA H 4.478 0.011 1
316 143 38 PRO HB2 H 1.981 0.000 2
317 143 38 PRO HB3 H 2.283 0.011 2
318 143 38 PRO HD2 H 3.724 0.004 2
319 143 38 PRO HD3 H 3.923 0.002 2
320 143 38 PRO HG2 H 2.024 0.003 2
321 143 38 PRO HG3 H 2.024 0.003 2
322 143 38 PRO CA C 63.290 0.000 1
323 143 38 PRO CB C 32.270 0.000 1
324 143 38 PRO CD C 51.026 0.033 1
325 143 38 PRO CG C 27.600 0.000 1
326 144 39 ILE H H 8.447 0.012 1
327 144 39 ILE HA H 4.188 0.009 1
328 144 39 ILE HB H 1.748 0.004 1
329 144 39 ILE HD1 H 0.287 0.005 2
330 144 39 ILE HG12 H 0.901 0.011 2
331 144 39 ILE HG13 H 1.411 0.004 2
332 144 39 ILE HG2 H 0.569 0.002 2
333 144 39 ILE CA C 58.947 0.025 1
334 144 39 ILE CB C 39.608 0.038 1
335 144 39 ILE CD1 C 12.467 0.014 1
336 144 39 ILE CG1 C 26.998 0.002 1
337 144 39 ILE CG2 C 18.204 0.017 1
338 144 39 ILE N N 123.774 0.005 1
339 145 40 ALA H H 9.196 0.007 1
340 145 40 ALA HA H 4.493 0.004 1
341 145 40 ALA HB H 1.319 0.004 2
342 145 40 ALA CA C 53.221 0.021 1
343 145 40 ALA CB C 19.868 0.000 1
344 145 40 ALA N N 130.758 0.004 1
345 146 41 ASP H H 7.670 0.012 1
346 146 41 ASP HA H 4.799 0.008 1
347 146 41 ASP HB2 H 2.245 0.004 2
348 146 41 ASP HB3 H 2.638 0.003 2
349 146 41 ASP CA C 54.240 0.000 1
350 146 41 ASP CB C 43.834 0.032 1
351 146 41 ASP N N 114.601 0.002 1
352 147 42 VAL H H 8.266 0.005 1
353 147 42 VAL HA H 4.821 0.021 1
354 147 42 VAL HB H 1.995 0.004 1
355 147 42 VAL HG1 H 0.915 0.009 2
356 147 42 VAL HG2 H 0.930 0.011 2
357 147 42 VAL CB C 35.487 0.016 1
358 147 42 VAL CG1 C 22.294 0.000 2
359 147 42 VAL CG2 C 22.333 0.015 2
360 147 42 VAL N N 120.886 0.013 1
361 148 43 SER H H 9.190 0.008 1
362 148 43 SER HA H 5.091 0.009 1
363 148 43 SER HB2 H 3.885 0.009 2
364 148 43 SER HB3 H 4.046 0.014 2
365 148 43 SER CA C 56.770 0.019 1
366 148 43 SER CB C 65.620 0.033 1
367 148 43 SER N N 121.305 0.012 1
368 149 44 ILE H H 8.890 0.010 1
369 149 44 ILE HA H 3.830 0.007 1
370 149 44 ILE HB H 1.610 0.003 1
371 149 44 ILE HD1 H 0.609 0.005 2
372 149 44 ILE HG12 H 0.753 0.007 2
373 149 44 ILE HG13 H 1.386 0.004 2
374 149 44 ILE HG2 H 0.223 0.007 2
375 149 44 ILE CA C 60.933 0.019 1
376 149 44 ILE CB C 38.281 0.030 1
377 149 44 ILE CD1 C 12.917 0.009 1
378 149 44 ILE CG1 C 29.729 0.043 1
379 149 44 ILE CG2 C 16.303 0.010 1
380 149 44 ILE N N 127.870 0.010 1
381 150 45 VAL H H 7.468 0.005 1
382 150 45 VAL HA H 3.970 0.008 1
383 150 45 VAL HB H 1.730 0.007 1
384 150 45 VAL HG1 H 0.788 0.055 2
385 150 45 VAL HG2 H 0.850 0.013 2
386 150 45 VAL CA C 62.899 0.012 1
387 150 45 VAL CB C 30.345 0.087 1
388 150 45 VAL CG1 C 22.426 0.019 2
389 150 45 VAL CG2 C 22.493 0.000 2
390 150 45 VAL N N 126.864 0.053 1
391 151 46 TYR H H 8.562 0.009 1
392 151 46 TYR HA H 4.779 0.021 1
393 151 46 TYR HB2 H 2.624 0.017 2
394 151 46 TYR HB3 H 2.698 0.006 2
395 151 46 TYR HD1 H 6.942 0.006 3
396 151 46 TYR HD2 H 6.942 0.006 3
397 151 46 TYR HE1 H 6.815 0.009 3
398 151 46 TYR HE2 H 6.815 0.009 3
399 151 46 TYR CA C 57.979 0.000 1
400 151 46 TYR CB C 41.047 0.055 1
401 151 46 TYR CD1 C 133.316 0.008 3
402 151 46 TYR CE1 C 117.772 0.015 3
403 151 46 TYR N N 125.841 0.021 1
404 152 47 ASP H H 9.011 0.010 1
405 152 47 ASP HA H 4.789 0.014 1
406 152 47 ASP HB2 H 2.628 0.002 2
407 152 47 ASP HB3 H 3.120 0.004 2
408 152 47 ASP CA C 54.052 0.000 1
409 152 47 ASP CB C 42.609 0.034 1
410 152 47 ASP N N 122.984 0.017 1
411 153 48 GLN H H 9.073 0.013 1
412 153 48 GLN HA H 4.112 0.004 1
413 153 48 GLN HB2 H 2.175 0.000 2
414 153 48 GLN HB3 H 2.268 0.010 2
415 153 48 GLN HE21 H 7.646 0.000 2
416 153 48 GLN HE22 H 6.921 0.000 2
417 153 48 GLN HG2 H 2.574 0.012 2
418 153 48 GLN HG3 H 2.612 0.011 2
419 153 48 GLN CA C 58.615 0.046 1
420 153 48 GLN CB C 28.730 0.012 1
421 153 48 GLN CG C 34.104 0.028 1
422 153 48 GLN N N 125.981 0.013 1
423 153 48 GLN NE2 N 112.481 0.007 1
424 154 49 GLN H H 8.565 0.011 1
425 154 49 GLN HA H 4.388 0.012 1
426 154 49 GLN HB2 H 2.183 0.013 2
427 154 49 GLN HB3 H 2.273 0.003 2
428 154 49 GLN HG2 H 2.444 0.021 2
429 154 49 GLN HG3 H 2.513 0.012 2
430 154 49 GLN CA C 58.050 0.001 1
431 154 49 GLN CB C 29.277 0.037 1
432 154 49 GLN CG C 34.308 0.024 1
433 154 49 GLN N N 116.941 0.029 1
434 155 50 SER H H 8.448 0.006 1
435 155 50 SER HA H 4.471 0.007 1
436 155 50 SER HB2 H 3.941 0.000 2
437 155 50 SER HB3 H 4.033 0.000 2
438 155 50 SER CA C 58.776 0.000 1
439 155 50 SER CB C 64.962 0.000 1
440 155 50 SER N N 113.573 0.002 1
441 156 51 ARG H H 8.146 0.006 1
442 156 51 ARG HA H 4.021 0.006 1
443 156 51 ARG HB2 H 1.554 0.010 2
444 156 51 ARG HB3 H 1.627 0.000 2
445 156 51 ARG HD2 H 3.161 0.023 2
446 156 51 ARG HD3 H 3.183 0.000 2
447 156 51 ARG HG2 H 2.064 0.003 2
448 156 51 ARG HG3 H 2.173 0.007 2
449 156 51 ARG CA C 57.288 0.007 1
450 156 51 ARG CD C 42.728 0.023 1
451 156 51 ARG CG C 26.740 0.028 1
452 156 51 ARG N N 116.696 0.038 1
453 157 52 ARG H H 7.797 0.006 1
454 157 52 ARG HA H 4.627 0.005 1
455 157 52 ARG HB2 H 1.772 0.004 2
456 157 52 ARG HB3 H 1.935 0.006 2
457 157 52 ARG HD2 H 2.628 0.004 2
458 157 52 ARG HD3 H 3.119 0.003 2
459 157 52 ARG HG2 H 1.764 0.004 2
460 157 52 ARG HG3 H 1.764 0.004 2
461 157 52 ARG CA C 55.120 0.000 1
462 157 52 ARG CB C 32.342 0.043 1
463 157 52 ARG CD C 42.626 0.042 1
464 157 52 ARG CG C 27.320 0.000 1
465 157 52 ARG N N 117.844 0.020 1
466 158 53 SER H H 8.855 0.009 1
467 158 53 SER HA H 3.954 0.010 1
468 158 53 SER HB2 H 3.820 0.018 2
469 158 53 SER HB3 H 3.919 0.011 2
470 158 53 SER CA C 58.027 0.000 1
471 158 53 SER CB C 63.892 0.033 1
472 158 53 SER N N 117.140 0.081 1
473 159 54 ARG H H 9.150 0.014 1
474 159 54 ARG HA H 4.402 0.010 1
475 159 54 ARG HB2 H 1.174 0.004 2
476 159 54 ARG HB3 H 2.267 0.008 2
477 159 54 ARG HD2 H 3.371 0.021 2
478 159 54 ARG HD3 H 3.371 0.021 2
479 159 54 ARG HE H 7.589 0.001 1
480 159 54 ARG HG2 H 1.722 0.008 2
481 159 54 ARG HG3 H 1.722 0.008 2
482 159 54 ARG CA C 56.492 0.032 1
483 159 54 ARG CB C 30.371 0.005 1
484 159 54 ARG CD C 43.773 0.000 1
485 159 54 ARG CG C 28.051 0.036 1
486 159 54 ARG N N 122.705 0.005 1
487 159 54 ARG NE N 117.640 0.016 1
488 160 55 GLY H H 9.234 0.005 1
489 160 55 GLY HA2 H 3.137 0.003 2
490 160 55 GLY HA3 H 4.005 0.008 2
491 160 55 GLY CA C 46.263 0.002 1
492 160 55 GLY N N 107.791 0.002 1
493 161 56 PHE H H 6.950 0.009 1
494 161 56 PHE HA H 5.041 0.006 1
495 161 56 PHE HB2 H 2.332 0.012 2
496 161 56 PHE HB3 H 3.386 0.020 2
497 161 56 PHE HD1 H 6.669 0.007 3
498 161 56 PHE HD2 H 6.669 0.007 3
499 161 56 PHE HE1 H 7.251 0.005 3
500 161 56 PHE HE2 H 7.251 0.005 3
501 161 56 PHE HZ H 7.333 0.010 1
502 161 56 PHE CA C 55.082 0.013 1
503 161 56 PHE CB C 41.404 0.007 1
504 161 56 PHE CD1 C 132.871 0.021 3
505 161 56 PHE CE1 C 130.333 0.027 3
506 161 56 PHE CZ C 128.698 0.035 1
507 161 56 PHE N N 111.857 0.046 1
508 162 57 ALA H H 8.287 0.004 1
509 162 57 ALA HA H 4.573 0.006 1
510 162 57 ALA HB H 0.768 0.003 2
511 162 57 ALA CA C 49.571 0.017 1
512 162 57 ALA CB C 26.502 0.009 1
513 162 57 ALA N N 119.574 0.001 1
514 163 58 PHE H H 8.278 0.005 1
515 163 58 PHE HA H 5.084 0.011 1
516 163 58 PHE HB2 H 2.205 0.017 2
517 163 58 PHE HB3 H 2.339 0.010 2
518 163 58 PHE HD1 H 6.382 0.047 3
519 163 58 PHE HD2 H 6.382 0.047 3
520 163 58 PHE HE1 H 6.426 0.011 3
521 163 58 PHE HE2 H 6.426 0.011 3
522 163 58 PHE HZ H 6.836 0.029 1
523 163 58 PHE CA C 56.784 0.000 1
524 163 58 PHE CB C 42.927 0.047 1
525 163 58 PHE CD1 C 130.709 0.032 3
526 163 58 PHE CE1 C 128.989 0.000 3
527 163 58 PHE CZ C 127.688 0.001 1
528 163 58 PHE N N 114.345 0.036 1
529 164 59 VAL H H 9.019 0.007 1
530 164 59 VAL HA H 4.327 0.002 1
531 164 59 VAL HB H 1.416 0.003 1
532 164 59 VAL HG1 H 0.270 0.009 2
533 164 59 VAL HG2 H 0.317 0.011 2
534 164 59 VAL CA C 61.128 0.036 1
535 164 59 VAL CB C 34.302 0.024 1
536 164 59 VAL CG1 C 20.523 0.033 2
537 164 59 VAL CG2 C 21.481 0.018 2
538 164 59 VAL N N 123.030 0.078 1
539 165 60 TYR H H 9.003 0.014 1
540 165 60 TYR HA H 4.997 0.040 1
541 165 60 TYR HB2 H 2.949 0.030 2
542 165 60 TYR HB3 H 3.029 0.010 2
543 165 60 TYR HD1 H 7.123 0.015 3
544 165 60 TYR HD2 H 7.123 0.015 3
545 165 60 TYR HE1 H 6.887 0.015 3
546 165 60 TYR HE2 H 6.887 0.015 3
547 165 60 TYR CA C 57.184 0.084 1
548 165 60 TYR CB C 39.110 0.073 1
549 165 60 TYR CD1 C 133.238 0.023 3
550 165 60 TYR CE1 C 119.307 0.027 3
551 165 60 TYR N N 125.367 0.016 1
552 166 61 PHE H H 9.177 0.003 1
553 166 61 PHE HA H 4.720 0.030 1
554 166 61 PHE HB2 H 3.099 0.006 2
555 166 61 PHE HB3 H 3.861 0.003 2
556 166 61 PHE HD1 H 7.449 0.010 3
557 166 61 PHE HD2 H 7.449 0.010 3
558 166 61 PHE HE1 H 7.202 0.019 3
559 166 61 PHE HE2 H 7.202 0.019 3
560 166 61 PHE HZ H 7.650 0.013 1
561 166 61 PHE CA C 60.617 0.000 1
562 166 61 PHE CB C 40.180 0.038 1
563 166 61 PHE CD1 C 131.400 0.000 3
564 166 61 PHE CE1 C 131.409 0.012 3
565 166 61 PHE CZ C 130.900 0.000 1
566 166 61 PHE N N 124.469 0.020 1
567 167 62 GLU H H 8.155 0.002 1
568 167 62 GLU HA H 4.354 0.004 1
569 167 62 GLU HG2 H 2.143 0.075 2
570 167 62 GLU HG3 H 2.288 0.012 2
571 167 62 GLU CA C 58.901 0.000 1
572 167 62 GLU CG C 36.547 0.026 1
573 167 62 GLU N N 118.087 0.010 1
574 168 63 ASN H H 9.029 0.003 1
575 168 63 ASN HA H 5.216 0.005 1
576 168 63 ASN HB2 H 2.887 0.004 2
577 168 63 ASN HB3 H 3.067 0.002 2
578 168 63 ASN HD21 H 7.266 0.000 2
579 168 63 ASN HD22 H 7.681 0.000 2
580 168 63 ASN CA C 52.048 0.017 1
581 168 63 ASN CB C 41.318 0.013 1
582 168 63 ASN N N 115.919 0.003 1
583 168 63 ASN ND2 N 114.628 0.000 1
584 169 64 VAL H H 8.946 0.009 1
585 169 64 VAL HA H 3.750 0.002 1
586 169 64 VAL HB H 2.161 0.012 1
587 169 64 VAL HG1 H 0.946 0.013 2
588 169 64 VAL HG2 H 0.953 0.006 2
589 169 64 VAL CA C 65.518 0.011 1
590 169 64 VAL CB C 31.652 0.002 1
591 169 64 VAL CG1 C 20.114 0.052 2
592 169 64 VAL CG2 C 19.850 0.000 2
593 169 64 VAL N N 125.829 0.024 1
594 170 65 ASP H H 8.442 0.007 1
595 170 65 ASP HB2 H 2.683 0.008 2
596 170 65 ASP HB3 H 2.769 0.006 2
597 170 65 ASP CB C 39.957 0.019 1
598 170 65 ASP N N 121.214 0.010 1
599 171 66 ASP H H 7.430 0.005 1
600 171 66 ASP HA H 4.475 0.009 1
601 171 66 ASP HB2 H 3.010 0.040 2
602 171 66 ASP HB3 H 3.085 0.000 2
603 171 66 ASP CA C 56.638 0.000 1
604 171 66 ASP CB C 40.217 0.016 1
605 171 66 ASP N N 121.820 0.012 1
606 172 67 ALA H H 6.989 0.003 1
607 172 67 ALA HA H 3.037 0.002 1
608 172 67 ALA HB H 1.610 0.003 2
609 172 67 ALA CA C 54.693 0.019 1
610 172 67 ALA CB C 18.966 0.002 1
611 172 67 ALA N N 121.663 0.002 1
612 173 68 LYS H H 8.369 0.003 1
613 173 68 LYS HA H 4.122 0.004 1
614 173 68 LYS HB2 H 2.056 0.021 2
615 173 68 LYS HB3 H 2.132 0.019 2
616 173 68 LYS HE2 H 3.050 0.017 2
617 173 68 LYS HE3 H 3.050 0.017 2
618 173 68 LYS HG2 H 1.636 0.017 2
619 173 68 LYS HG3 H 1.885 0.016 2
620 173 68 LYS CA C 60.360 0.000 1
621 173 68 LYS CB C 32.840 0.000 1
622 173 68 LYS CE C 41.250 0.000 1
623 173 68 LYS CG C 25.783 0.013 1
624 173 68 LYS N N 116.192 0.038 1
625 174 69 GLU H H 7.399 0.003 1
626 174 69 GLU HA H 4.144 0.005 1
627 174 69 GLU HB2 H 2.151 0.012 2
628 174 69 GLU HB3 H 2.151 0.012 2
629 174 69 GLU HG2 H 2.414 0.013 2
630 174 69 GLU HG3 H 2.480 0.012 2
631 174 69 GLU CA C 58.910 0.000 1
632 174 69 GLU CB C 29.430 0.000 1
633 174 69 GLU CG C 35.633 0.000 1
634 174 69 GLU N N 119.878 0.027 1
635 175 70 ALA H H 8.069 0.005 1
636 175 70 ALA HB H 1.183 0.002 2
637 175 70 ALA CA C 54.521 0.006 1
638 175 70 ALA CB C 20.647 0.025 1
639 175 70 ALA N N 120.814 0.006 1
640 176 71 LYS H H 8.234 0.002 1
641 176 71 LYS HA H 3.543 0.006 1
642 176 71 LYS HB2 H 1.575 0.020 2
643 176 71 LYS HB3 H 1.652 0.024 2
644 176 71 LYS HD2 H 1.196 0.006 2
645 176 71 LYS HD3 H 1.196 0.006 2
646 176 71 LYS HE2 H 2.987 0.015 2
647 176 71 LYS HE3 H 2.987 0.015 2
648 176 71 LYS HG2 H 0.507 0.010 2
649 176 71 LYS HG3 H 0.942 0.015 2
650 176 71 LYS CA C 60.045 0.000 1
651 176 71 LYS CB C 31.920 0.000 1
652 176 71 LYS CD C 29.742 0.025 1
653 176 71 LYS CE C 42.574 0.043 1
654 176 71 LYS CG C 24.280 0.055 1
655 176 71 LYS N N 117.489 0.035 1
656 177 72 GLU H H 7.387 0.004 1
657 177 72 GLU HA H 4.132 0.005 1
658 177 72 GLU HB2 H 2.162 0.001 2
659 177 72 GLU HB3 H 2.162 0.001 2
660 177 72 GLU HG2 H 2.410 0.008 2
661 177 72 GLU HG3 H 2.478 0.014 2
662 177 72 GLU CA C 58.340 0.000 1
663 177 72 GLU CB C 30.043 0.017 1
664 177 72 GLU CG C 35.873 0.034 1
665 177 72 GLU N N 114.825 0.063 1
666 178 73 ARG H H 8.242 0.009 1
667 178 73 ARG HA H 4.320 0.017 1
668 178 73 ARG HB2 H 1.693 0.005 2
669 178 73 ARG HB3 H 2.050 0.011 2
670 178 73 ARG HD2 H 3.315 0.004 2
671 178 73 ARG HD3 H 3.315 0.004 2
672 178 73 ARG HG2 H 1.842 0.017 2
673 178 73 ARG HG3 H 1.909 0.018 2
674 178 73 ARG CA C 57.440 0.000 1
675 178 73 ARG CB C 31.227 0.031 1
676 178 73 ARG CD C 43.339 0.023 1
677 178 73 ARG CG C 27.380 0.025 1
678 178 73 ARG N N 115.553 0.037 1
679 179 74 ALA H H 8.814 0.034 1
680 179 74 ALA HA H 4.397 0.006 1
681 179 74 ALA HB H 1.295 0.002 2
682 179 74 ALA CA C 52.627 0.018 1
683 179 74 ALA CB C 19.892 0.022 1
684 179 74 ALA N N 119.552 0.000 1
685 180 75 ASN H H 6.721 0.006 1
686 180 75 ASN HA H 4.322 0.004 1
687 180 75 ASN HB2 H 2.933 0.002 2
688 180 75 ASN HB3 H 3.221 0.004 2
689 180 75 ASN HD21 H 7.827 0.000 2
690 180 75 ASN HD22 H 7.071 0.000 2
691 180 75 ASN CA C 56.050 0.000 1
692 180 75 ASN CB C 38.898 0.035 1
693 180 75 ASN N N 113.787 0.005 1
694 180 75 ASN ND2 N 114.109 0.003 1
695 181 76 GLY H H 8.670 0.008 1
696 181 76 GLY HA2 H 3.829 0.004 2
697 181 76 GLY HA3 H 4.327 0.007 2
698 181 76 GLY CA C 45.727 0.015 1
699 181 76 GLY N N 116.792 0.003 1
700 182 77 MET H H 7.847 0.006 1
701 182 77 MET HA H 4.322 0.011 1
702 182 77 MET HB2 H 1.983 0.005 2
703 182 77 MET HB3 H 2.284 0.017 2
704 182 77 MET HE H 2.059 0.001 2
705 182 77 MET HG2 H 2.336 0.005 2
706 182 77 MET HG3 H 2.777 0.005 2
707 182 77 MET CA C 56.166 0.020 1
708 182 77 MET CB C 33.258 0.032 1
709 182 77 MET CE C 16.796 0.000 1
710 182 77 MET CG C 31.457 0.040 1
711 182 77 MET N N 120.549 0.022 1
712 183 78 GLU H H 8.392 0.006 1
713 183 78 GLU HA H 4.952 0.005 1
714 183 78 GLU HB2 H 1.842 0.004 2
715 183 78 GLU HB3 H 1.989 0.002 2
716 183 78 GLU HG2 H 1.993 0.003 2
717 183 78 GLU HG3 H 2.081 0.010 2
718 183 78 GLU CA C 55.449 0.054 1
719 183 78 GLU CB C 30.533 0.039 1
720 183 78 GLU CG C 36.914 0.032 1
721 183 78 GLU N N 122.257 0.031 1
722 184 79 LEU H H 9.233 0.003 1
723 184 79 LEU HA H 4.631 0.005 1
724 184 79 LEU HB2 H 1.276 0.003 2
725 184 79 LEU HB3 H 1.829 0.018 2
726 184 79 LEU HD1 H 0.848 0.028 2
727 184 79 LEU HD2 H 0.920 0.009 2
728 184 79 LEU HG H 1.518 0.004 1
729 184 79 LEU CA C 54.600 0.000 1
730 184 79 LEU CB C 44.929 0.019 1
731 184 79 LEU CD1 C 26.136 0.019 2
732 184 79 LEU CD2 C 24.471 0.003 2
733 184 79 LEU CG C 27.643 0.021 1
734 184 79 LEU N N 128.099 0.015 1
735 185 80 ASP H H 9.658 0.002 1
736 185 80 ASP HA H 4.391 0.001 1
737 185 80 ASP HB2 H 3.087 0.004 2
738 185 80 ASP HB3 H 2.483 0.006 2
739 185 80 ASP CA C 55.681 0.053 1
740 185 80 ASP CB C 40.036 0.008 1
741 185 80 ASP N N 129.390 0.009 1
742 186 81 GLY H H 8.698 0.009 1
743 186 81 GLY HA2 H 3.754 0.004 2
744 186 81 GLY HA3 H 4.185 0.002 2
745 186 81 GLY CA C 45.608 0.020 1
746 186 81 GLY N N 102.313 0.000 1
747 187 82 ARG H H 7.626 0.009 1
748 187 82 ARG HB2 H 1.828 0.007 2
749 187 82 ARG HB3 H 2.087 0.028 2
750 187 82 ARG HD2 H 3.270 0.013 2
751 187 82 ARG HD3 H 3.270 0.013 2
752 187 82 ARG HE H 7.620 0.000 1
753 187 82 ARG HG2 H 1.649 0.002 2
754 187 82 ARG HG3 H 1.649 0.002 2
755 187 82 ARG CB C 32.570 0.030 1
756 187 82 ARG CD C 43.100 0.000 1
757 187 82 ARG CG C 26.330 0.000 1
758 187 82 ARG N N 119.575 0.003 1
759 187 82 ARG NE N 118.932 0.000 1
760 188 83 ARG H H 8.492 0.006 1
761 188 83 ARG HA H 4.396 0.003 1
762 188 83 ARG HB2 H 1.648 0.019 2
763 188 83 ARG HB3 H 1.840 0.009 2
764 188 83 ARG HD2 H 3.277 0.009 2
765 188 83 ARG HD3 H 3.277 0.009 2
766 188 83 ARG HG2 H 2.110 0.008 2
767 188 83 ARG HG3 H 2.110 0.008 2
768 188 83 ARG CA C 56.367 0.000 1
769 188 83 ARG CB C 29.287 0.000 1
770 188 83 ARG CD C 42.703 0.000 1
771 188 83 ARG CG C 32.400 0.000 1
772 188 83 ARG N N 121.174 0.006 1
773 189 84 ILE H H 8.535 0.007 1
774 189 84 ILE HA H 4.577 0.010 1
775 189 84 ILE HB H 1.940 0.002 1
776 189 84 ILE HD1 H 0.793 0.001 2
777 189 84 ILE HG12 H 1.430 0.009 2
778 189 84 ILE HG13 H 1.542 0.008 2
779 189 84 ILE HG2 H 0.915 0.013 2
780 189 84 ILE CA C 61.440 0.000 1
781 189 84 ILE CB C 39.070 0.000 1
782 189 84 ILE CD1 C 13.727 0.018 1
783 189 84 ILE CG1 C 25.332 0.026 1
784 189 84 ILE CG2 C 18.638 0.007 1
785 189 84 ILE N N 122.958 0.017 1
786 190 85 ARG H H 8.478 0.023 1
787 190 85 ARG HA H 5.175 0.007 1
788 190 85 ARG HB2 H 1.654 0.038 2
789 190 85 ARG HB3 H 1.852 0.010 2
790 190 85 ARG HD2 H 3.335 0.006 2
791 190 85 ARG HD3 H 3.541 0.017 2
792 190 85 ARG HE H 7.071 0.000 1
793 190 85 ARG HG2 H 1.615 0.012 2
794 190 85 ARG HG3 H 1.741 0.016 2
795 190 85 ARG CA C 54.753 0.007 1
796 190 85 ARG CB C 32.825 0.180 1
797 190 85 ARG CD C 42.427 0.000 1
798 190 85 ARG CG C 27.248 0.065 1
799 190 85 ARG N N 120.666 0.034 1
800 190 85 ARG NE N 118.200 0.000 1
801 191 86 VAL H H 8.469 0.012 1
802 191 86 VAL HA H 5.261 0.010 1
803 191 86 VAL HB H 1.881 0.005 1
804 191 86 VAL HG1 H 0.987 0.016 2
805 191 86 VAL HG2 H 0.991 0.021 2
806 191 86 VAL CA C 59.807 0.092 1
807 191 86 VAL CB C 34.983 0.044 1
808 191 86 VAL CG1 C 20.983 0.000 2
809 191 86 VAL CG2 C 22.118 0.057 2
810 191 86 VAL N N 120.526 0.052 1
811 192 87 ASP H H 9.187 0.003 1
812 192 87 ASP HA H 4.784 0.009 1
813 192 87 ASP HB2 H 2.634 0.003 2
814 192 87 ASP HB3 H 2.800 0.002 2
815 192 87 ASP CA C 51.702 0.000 1
816 192 87 ASP CB C 45.371 0.017 1
817 192 87 ASP N N 125.547 0.014 1
818 193 88 PHE H H 9.019 0.005 1
819 193 88 PHE HA H 4.784 0.030 1
820 193 88 PHE HB2 H 2.693 0.022 2
821 193 88 PHE HB3 H 3.341 0.016 2
822 193 88 PHE HD1 H 7.510 0.006 3
823 193 88 PHE HD2 H 7.510 0.006 3
824 193 88 PHE HE1 H 7.463 0.004 3
825 193 88 PHE HE2 H 7.463 0.004 3
826 193 88 PHE CA C 59.782 0.000 1
827 193 88 PHE CB C 40.090 0.028 1
828 193 88 PHE CD1 C 132.189 0.041 3
829 193 88 PHE CE1 C 132.050 0.050 3
830 193 88 PHE N N 119.650 0.025 1
831 194 89 SER H H 8.984 0.004 1
832 194 89 SER HA H 5.758 0.017 1
833 194 89 SER HB2 H 4.037 0.012 2
834 194 89 SER HB3 H 4.037 0.012 2
835 194 89 SER CA C 57.154 0.049 1
836 194 89 SER CB C 64.780 0.000 1
837 194 89 SER N N 113.909 0.032 1
838 195 90 ILE H H 9.864 0.006 1
839 195 90 ILE HA H 4.546 0.005 1
840 195 90 ILE HB H 1.934 0.007 1
841 195 90 ILE HD1 H 0.452 0.019 2
842 195 90 ILE HG12 H 0.231 0.008 2
843 195 90 ILE HG13 H 1.093 0.005 2
844 195 90 ILE HG2 H 0.900 0.009 2
845 195 90 ILE CA C 61.858 0.000 1
846 195 90 ILE CB C 38.431 0.025 1
847 195 90 ILE CD1 C 13.977 0.000 1
848 195 90 ILE CG1 C 26.413 0.041 1
849 195 90 ILE CG2 C 18.500 0.000 1
850 195 90 ILE N N 123.300 0.000 1
851 196 91 THR H H 8.568 0.003 1
852 196 91 THR HA H 4.741 0.011 1
853 196 91 THR HB H 4.391 0.006 1
854 196 91 THR HG2 H 1.281 0.014 2
855 196 91 THR CB C 71.005 0.043 1
856 196 91 THR CG2 C 23.853 0.000 1
857 196 91 THR N N 113.889 0.037 1
858 197 92 LYS H H 8.597 0.005 1
859 197 92 LYS HA H 4.561 0.008 1
860 197 92 LYS HB2 H 1.780 0.006 2
861 197 92 LYS HB3 H 1.974 0.004 2
862 197 92 LYS HE2 H 3.032 0.022 2
863 197 92 LYS HE3 H 3.032 0.022 2
864 197 92 LYS HG2 H 1.489 0.003 2
865 197 92 LYS HG3 H 1.489 0.003 2
866 197 92 LYS CA C 55.670 0.000 1
867 197 92 LYS CB C 34.187 0.035 1
868 197 92 LYS CE C 42.190 0.000 1
869 197 92 LYS CG C 24.900 0.063 1
870 197 92 LYS N N 122.247 0.032 1
871 198 93 ARG HA H 4.509 0.010 1
872 198 93 ARG HB2 H 1.599 0.006 2
873 198 93 ARG HB3 H 1.762 0.005 2
874 198 93 ARG HD2 H 3.050 0.012 2
875 198 93 ARG HD3 H 3.050 0.012 2
876 198 93 ARG HG2 H 1.451 0.013 2
877 198 93 ARG HG3 H 1.451 0.013 2
878 198 93 ARG CA C 53.681 0.007 1
879 198 93 ARG CB C 30.548 0.038 1
880 198 93 ARG CD C 42.235 0.000 1
881 198 93 ARG CG C 25.834 0.010 1
882 199 94 PRO HA H 3.971 0.021 1
883 199 94 PRO HB2 H 1.768 0.000 2
884 199 94 PRO HB3 H 2.122 0.004 2
885 199 94 PRO HD2 H 3.424 0.006 2
886 199 94 PRO HD3 H 3.424 0.006 2
887 199 94 PRO HG2 H 1.771 0.003 2
888 199 94 PRO HG3 H 1.854 0.002 2
889 199 94 PRO CA C 62.754 0.000 1
890 199 94 PRO CB C 31.726 0.012 1
891 199 94 PRO CD C 50.160 0.047 1
892 199 94 PRO CG C 27.058 0.002 1
893 200 95 HIS HB2 H 3.250 0.016 2
894 200 95 HIS HB3 H 3.250 0.016 2
895 200 95 HIS HD2 H 7.182 0.004 1
896 200 95 HIS CB C 29.070 0.000 1
897 200 95 HIS CD2 C 120.000 0.000 1
stop_
save_