data_16467
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
The Solution structure of the eTAFH domain of AML1-ETO complexed with HEB peptide
;
_BMRB_accession_number 16467
_BMRB_flat_file_name bmr16467.str
_Entry_type original
_Submission_date 2009-08-25
_Accession_date 2009-08-25
_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 Park Sangho . .
2 Cierpicki Tomasz . .
3 Tonelli Marco . .
4 Bushweller John H. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 616
"13C chemical shifts" 456
"15N chemical shifts" 108
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-05-28 update BMRB 'edit assembly name'
2009-12-11 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Structure of the AML1-ETO eTAFH domain-HEB peptide complex and its contribution to AML1-ETO activity.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19204326
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Park Sangho . .
2 Chen Wei . .
3 Cierpicki Tomasz . .
4 Tonelli Marco . .
5 Cai Xiongwei . .
6 Speck Nancy A. .
7 Bushweller John H. .
stop_
_Journal_abbreviation Blood
_Journal_name_full Blood
_Journal_volume 113
_Journal_issue 15
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 3558
_Page_last 3567
_Year 2009
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'AML1-ETO/HEB peptide complex'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity_1 $entity_1
entity_2 $entity_2
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity_1
_Molecular_mass 11623.564
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 103
_Mol_residue_sequence
;
GAMGSGARQLSKLKRFLTTL
QQFGNDISPEIGERVRTLVL
GLVNSTLTIEEFHSKLQEAT
NFPLRPFVIPFLKANLPLLQ
RELLHCARLAKQNPAQYLAQ
HEQ
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 ALA 3 MET 4 GLY 5 SER
6 GLY 7 ALA 8 ARG 9 GLN 10 LEU
11 SER 12 LYS 13 LEU 14 LYS 15 ARG
16 PHE 17 LEU 18 THR 19 THR 20 LEU
21 GLN 22 GLN 23 PHE 24 GLY 25 ASN
26 ASP 27 ILE 28 SER 29 PRO 30 GLU
31 ILE 32 GLY 33 GLU 34 ARG 35 VAL
36 ARG 37 THR 38 LEU 39 VAL 40 LEU
41 GLY 42 LEU 43 VAL 44 ASN 45 SER
46 THR 47 LEU 48 THR 49 ILE 50 GLU
51 GLU 52 PHE 53 HIS 54 SER 55 LYS
56 LEU 57 GLN 58 GLU 59 ALA 60 THR
61 ASN 62 PHE 63 PRO 64 LEU 65 ARG
66 PRO 67 PHE 68 VAL 69 ILE 70 PRO
71 PHE 72 LEU 73 LYS 74 ALA 75 ASN
76 LEU 77 PRO 78 LEU 79 LEU 80 GLN
81 ARG 82 GLU 83 LEU 84 LEU 85 HIS
86 CYS 87 ALA 88 ARG 89 LEU 90 ALA
91 LYS 92 GLN 93 ASN 94 PRO 95 ALA
96 GLN 97 TYR 98 LEU 99 ALA 100 GLN
101 HIS 102 GLU 103 GLN
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-09-30
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2H7B "Solution Structure Of The Etafh Domain From The Human Leukemia-Associated Fusion Protein Aml1-Eto" 95.15 105 97.96 97.96 1.49e-60
PDB 2KNH "The Solution Structure Of The Etafh Domain Of Aml1-Eto Complexed With Heb Peptide" 100.00 103 100.00 100.00 8.38e-67
PDB 2PP4 "Solution Structure Of Eto-Tafh Refined In Explicit Solvent" 95.15 107 98.98 100.00 1.29e-62
DBJ BAA03089 "AML1-MTG8 fusion protein [Homo sapiens]" 95.15 752 100.00 100.00 4.26e-58
DBJ BAA03247 "MTG8 protein [Homo sapiens]" 95.15 567 100.00 100.00 5.92e-59
DBJ BAA03558 "MTG8b protein [Homo sapiens]" 95.15 604 100.00 100.00 1.22e-58
DBJ BAA03559 "chimeric protein [Homo sapiens]" 66.02 198 100.00 100.00 1.32e-38
DBJ BAA03560 "chimeric protein [Homo sapiens]" 95.15 251 100.00 100.00 4.22e-62
EMBL CAA56311 "ETO [Homo sapiens]" 95.15 574 100.00 100.00 4.99e-59
EMBL CAF99400 "unnamed protein product, partial [Tetraodon nigroviridis]" 95.15 599 98.98 98.98 1.89e-58
EMBL CAG33073 "CBFA2T1 [Homo sapiens]" 95.15 577 100.00 100.00 5.63e-59
EMBL CAH65373 "hypothetical protein RCJMB04_23o9 [Gallus gallus]" 95.15 591 96.94 100.00 1.22e-57
GB AAB34819 "AMLI-ETO fusion protein, partial [Homo sapiens]" 95.15 588 100.00 100.00 6.73e-59
GB AAB34820 "AML1-ETO fusion protein, partial [Homo sapiens]" 95.15 231 100.00 100.00 2.12e-62
GB AAB92651 "ETO/MTG8-related protein ETO-2 [Mus musculus]" 95.15 620 96.94 98.98 1.13e-56
GB AAC28931 "putative transcription factor [Homo sapiens]" 95.15 577 100.00 100.00 5.63e-59
GB AAC28932 "putative transcription factor [Homo sapiens]" 95.15 604 100.00 100.00 1.22e-58
REF NP_001025751 "protein CBFA2T3 [Gallus gallus]" 95.15 591 96.94 100.00 1.22e-57
REF NP_001070244 "protein CBFA2T1 [Danio rerio]" 95.15 588 98.98 100.00 1.05e-58
REF NP_001089065 "runt-related transcription factor 1; translocated to, 1 (cyclin D-related) [Xenopus laevis]" 95.15 582 100.00 100.00 6.97e-59
REF NP_001101923 "protein CBFA2T3 [Rattus norvegicus]" 95.15 619 97.96 98.98 5.53e-57
REF NP_001102127 "protein CBFA2T1 [Rattus norvegicus]" 95.15 577 100.00 100.00 4.77e-59
SP O54972 "RecName: Full=Protein CBFA2T3; AltName: Full=Eight twenty one protein 2; AltName: Full=MTG8-related protein 2; AltName: Full=Pr" 95.15 620 96.94 98.98 1.79e-56
SP O75081 "RecName: Full=Protein CBFA2T3; AltName: Full=MTG8-related protein 2; AltName: Full=Myeloid translocation gene on chromosome 16 " 95.15 653 97.96 98.98 7.14e-57
SP Q06455 "RecName: Full=Protein CBFA2T1; AltName: Full=Cyclin-D-related protein; AltName: Full=Eight twenty one protein; AltName: Full=Pr" 95.15 604 100.00 100.00 1.22e-58
SP Q5F3B1 "RecName: Full=Protein CBFA2T3" 95.15 591 96.94 100.00 1.22e-57
SP Q61909 "RecName: Full=Protein CBFA2T1; AltName: Full=Protein MTG8" 95.15 577 100.00 100.00 4.62e-59
TPG DAA20254 "TPA: core-binding factor, runt domain, alpha subunit 2; translocated to, 3-like [Bos taurus]" 95.15 598 96.94 98.98 1.36e-56
stop_
save_
save_entity_2
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity_2
_Molecular_mass 1990.227
_Mol_thiol_state 'not present'
_Details .
_Residue_count 18
_Mol_residue_sequence IGTDKELSDLLDFSAMFS
loop_
_Residue_seq_code
_Residue_label
1 ILE 2 GLY 3 THR 4 ASP 5 LYS
6 GLU 7 LEU 8 SER 9 ASP 10 LEU
11 LEU 12 ASP 13 PHE 14 SER 15 ALA
16 MET 17 PHE 18 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-30
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 16851 ETAD1 94.44 19 100.00 100.00 2.61e-01
PDB 2KNH "The Solution Structure Of The Etafh Domain Of Aml1-Eto Complexed With Heb Peptide" 100.00 18 100.00 100.00 5.30e-02
PDB 2KWF "The Structure Of E-Protein Activation Domain 1 Bound To The Kix Domain Of CbpP300 ELUCIDATES LEUKEMIA INDUCTION BY E2A-Pbx1" 94.44 19 100.00 100.00 2.61e-01
DBJ BAE21989 "unnamed protein product [Mus musculus]" 100.00 523 100.00 100.00 2.15e-01
DBJ BAE25324 "unnamed protein product [Mus musculus]" 100.00 139 100.00 100.00 3.33e-02
DBJ BAE41376 "unnamed protein product [Mus musculus]" 100.00 139 100.00 100.00 3.33e-02
DBJ BAG10617 "transcription factor 12 [synthetic construct]" 100.00 706 100.00 100.00 1.41e-01
DBJ BAG57800 "unnamed protein product [Homo sapiens]" 100.00 666 100.00 100.00 1.51e-01
EMBL CAA46052 "ALF1B protein [Mus musculus]" 100.00 706 100.00 100.00 1.49e-01
EMBL CAD89914 "hypothetical protein [Homo sapiens]" 100.00 682 100.00 100.00 1.40e-01
EMBL CAG31482 "hypothetical protein RCJMB04_6o7 [Gallus gallus]" 100.00 81 100.00 100.00 4.13e-02
EMBL CAL38596 "hypothetical protein [synthetic construct]" 100.00 682 100.00 100.00 1.27e-01
EMBL CDQ61893 "unnamed protein product [Oncorhynchus mykiss]" 100.00 90 100.00 100.00 3.67e-03
GB AAA42115 "cAMP response element-binding protein alpha [Rattus norvegicus]" 100.00 707 100.00 100.00 1.41e-01
GB AAA58632 "helix-loop-helix protein [Homo sapiens]" 100.00 682 100.00 100.00 1.40e-01
GB AAB62389 "transcription factor [Homo sapiens]" 100.00 682 100.00 100.00 1.40e-01
GB AAH50556 "Transcription factor 12 [Homo sapiens]" 100.00 706 100.00 100.00 1.41e-01
GB AAH92888 "Tcf12 protein [Danio rerio]" 100.00 336 100.00 100.00 4.33e-02
REF NP_001071353 "transcription factor 12 [Bos taurus]" 100.00 682 100.00 100.00 1.40e-01
REF NP_001187118 "E-box binding protein 2 [Ictalurus punctatus]" 100.00 697 100.00 100.00 7.73e-02
REF NP_001187135 "E2A2 transcription factor [Ictalurus punctatus]" 88.89 604 100.00 100.00 4.02e-01
REF NP_001187247 "E-box binding protein 1 [Ictalurus punctatus]" 100.00 705 100.00 100.00 7.90e-02
REF NP_001240791 "transcription factor 12 isoform 2 [Mus musculus]" 100.00 682 100.00 100.00 1.40e-01
SP P51514 "RecName: Full=Transcription factor 12; Short=TCF-12; AltName: Full=DNA-binding protein HTF4; AltName: Full=E-box-binding protei" 100.00 707 100.00 100.00 1.41e-01
SP Q61286 "RecName: Full=Transcription factor 12; Short=TCF-12; AltName: Full=Class A helix-loop-helix transcription factor ME1; AltName: " 100.00 706 100.00 100.00 1.41e-01
SP Q99081 "RecName: Full=Transcription factor 12; Short=TCF-12; AltName: Full=Class B basic helix-loop-helix protein 20; Short=bHLHb20; Al" 100.00 682 100.00 100.00 1.40e-01
TPG DAA01129 "TPA_exp: helix-loop-helix transcription factor 4 isoform c [Homo sapiens]" 100.00 706 100.00 100.00 1.41e-01
TPG DAA25320 "TPA: transcription factor 12 [Bos taurus]" 100.00 682 100.00 100.00 1.40e-01
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity_1 'recombinant technology' . Escherichia coli . 'pHis parallal2'
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
Bis-Tris 25 mM 'natural abundance'
EDTA 1 mM 'natural abundance'
'sodium chloride' 350 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 500
_Details .
save_
save_spectrometer_3
_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_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_HNHA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNHA'
_Sample_label $sample_1
save_
save_3D_HNCO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_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_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 350 . mM
pH 6 . pH
pressure 1 . atm
temperature 303 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
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_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D HNCACB'
'3D HCCH-TOCSY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name entity_1
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 GLY HA2 H 3.828 0.000 2
2 1 1 GLY HA3 H 3.828 0.000 2
3 1 1 GLY CA C 43.383 0.000 1
4 2 2 ALA H H 8.596 0.003 1
5 2 2 ALA HA H 4.349 0.012 1
6 2 2 ALA HB H 1.380 0.006 .
7 2 2 ALA C C 177.879 0.000 1
8 2 2 ALA CA C 52.635 0.017 1
9 2 2 ALA CB C 19.394 0.020 1
10 2 2 ALA N N 123.821 0.004 1
11 3 3 MET H H 8.541 0.001 1
12 3 3 MET HA H 4.476 0.009 1
13 3 3 MET HB2 H 2.082 0.001 2
14 3 3 MET HB3 H 2.047 0.010 2
15 3 3 MET HG2 H 2.619 0.000 2
16 3 3 MET HG3 H 2.560 0.000 2
17 3 3 MET C C 176.843 0.000 1
18 3 3 MET CA C 55.765 0.060 1
19 3 3 MET CB C 33.060 0.016 1
20 3 3 MET CG C 32.013 0.081 1
21 3 3 MET N N 119.991 0.022 1
22 4 4 GLY H H 8.454 0.003 1
23 4 4 GLY HA2 H 4.025 0.009 2
24 4 4 GLY HA3 H 4.025 0.009 2
25 4 4 GLY C C 174.470 0.000 1
26 4 4 GLY CA C 45.362 0.011 1
27 4 4 GLY N N 110.343 0.019 1
28 5 5 SER H H 8.383 0.006 1
29 5 5 SER HA H 4.402 0.008 1
30 5 5 SER HB2 H 3.974 0.017 2
31 5 5 SER HB3 H 3.899 0.005 2
32 5 5 SER C C 175.711 0.000 1
33 5 5 SER CA C 59.236 0.046 1
34 5 5 SER CB C 63.612 0.304 1
35 5 5 SER N N 116.127 0.010 1
36 6 6 GLY H H 8.597 0.004 1
37 6 6 GLY HA2 H 3.957 0.009 2
38 6 6 GLY HA3 H 3.957 0.009 2
39 6 6 GLY C C 174.681 0.000 1
40 6 6 GLY CA C 46.179 0.048 1
41 6 6 GLY N N 111.177 0.015 1
42 7 7 ALA H H 8.079 0.005 1
43 7 7 ALA HA H 4.187 0.010 1
44 7 7 ALA HB H 1.427 0.010 .
45 7 7 ALA C C 179.636 0.000 1
46 7 7 ALA CA C 54.298 0.071 1
47 7 7 ALA CB C 18.806 0.036 1
48 7 7 ALA N N 123.428 0.015 1
49 8 8 ARG H H 8.321 0.005 1
50 8 8 ARG HA H 4.187 0.010 1
51 8 8 ARG HB2 H 1.928 0.008 2
52 8 8 ARG HB3 H 1.928 0.008 2
53 8 8 ARG HD2 H 3.237 0.008 2
54 8 8 ARG HD3 H 3.237 0.008 2
55 8 8 ARG HG2 H 1.739 0.008 2
56 8 8 ARG HG3 H 1.639 0.014 2
57 8 8 ARG C C 178.673 0.000 1
58 8 8 ARG CA C 58.427 0.074 1
59 8 8 ARG CB C 30.025 0.047 1
60 8 8 ARG CD C 43.435 0.000 1
61 8 8 ARG CG C 27.456 0.000 1
62 8 8 ARG N N 119.327 0.024 1
63 9 9 GLN H H 8.366 0.007 1
64 9 9 GLN HA H 4.360 0.009 1
65 9 9 GLN HB2 H 2.178 0.014 2
66 9 9 GLN HB3 H 2.031 0.006 2
67 9 9 GLN HG2 H 2.487 0.006 2
68 9 9 GLN HG3 H 2.487 0.006 2
69 9 9 GLN C C 177.548 0.000 1
70 9 9 GLN CA C 58.078 0.098 1
71 9 9 GLN CB C 28.577 0.077 1
72 9 9 GLN CG C 34.204 0.021 1
73 9 9 GLN N N 120.447 0.069 1
74 10 10 LEU H H 8.163 0.003 1
75 10 10 LEU HA H 4.046 0.019 1
76 10 10 LEU HB2 H 1.869 0.007 2
77 10 10 LEU HB3 H 1.578 0.012 2
78 10 10 LEU HD1 H 0.849 0.005 .
79 10 10 LEU HD2 H 0.884 0.006 .
80 10 10 LEU C C 178.592 0.000 1
81 10 10 LEU CA C 57.965 0.043 1
82 10 10 LEU CB C 41.484 0.083 1
83 10 10 LEU CD1 C 24.023 0.037 2
84 10 10 LEU CD2 C 25.256 0.033 2
85 10 10 LEU CG C 27.289 0.000 1
86 10 10 LEU N N 120.680 0.029 1
87 11 11 SER H H 8.159 0.008 1
88 11 11 SER HA H 4.154 0.016 1
89 11 11 SER HB2 H 3.998 0.000 2
90 11 11 SER HB3 H 3.998 0.000 2
91 11 11 SER C C 176.701 0.000 1
92 11 11 SER CA C 62.380 0.019 1
93 11 11 SER N N 114.487 0.047 1
94 12 12 LYS H H 7.940 0.008 1
95 12 12 LYS HA H 4.036 0.000 .
96 12 12 LYS HB2 H 2.013 0.003 2
97 12 12 LYS HB3 H 2.013 0.003 2
98 12 12 LYS HD2 H 2.157 0.006 2
99 12 12 LYS HD3 H 2.157 0.006 2
100 12 12 LYS C C 177.886 0.000 1
101 12 12 LYS CA C 60.113 0.034 1
102 12 12 LYS CB C 32.708 0.071 1
103 12 12 LYS N N 123.015 0.025 1
104 13 13 LEU H H 8.483 0.005 1
105 13 13 LEU HA H 4.364 0.014 1
106 13 13 LEU HB2 H 2.316 0.011 2
107 13 13 LEU HB3 H 1.548 0.018 2
108 13 13 LEU HD1 H 1.056 0.007 .
109 13 13 LEU HD2 H 0.788 0.006 .
110 13 13 LEU C C 178.106 0.000 1
111 13 13 LEU CA C 58.840 0.082 1
112 13 13 LEU CB C 40.675 0.039 1
113 13 13 LEU CD1 C 24.750 0.034 2
114 13 13 LEU CD2 C 28.153 0.077 2
115 13 13 LEU N N 120.379 0.049 1
116 14 14 LYS H H 8.469 0.007 1
117 14 14 LYS HA H 3.831 0.012 1
118 14 14 LYS HB2 H 1.945 0.008 2
119 14 14 LYS HB3 H 1.945 0.008 2
120 14 14 LYS HD2 H 1.644 0.000 2
121 14 14 LYS HD3 H 1.644 0.000 2
122 14 14 LYS C C 179.211 0.000 1
123 14 14 LYS CA C 61.362 0.045 1
124 14 14 LYS CB C 32.421 0.007 1
125 14 14 LYS CD C 30.209 0.000 1
126 14 14 LYS CG C 27.025 0.000 1
127 14 14 LYS N N 119.005 0.056 1
128 15 15 ARG H H 8.433 0.007 1
129 15 15 ARG HA H 4.044 0.011 1
130 15 15 ARG HB2 H 1.924 0.000 2
131 15 15 ARG HB3 H 1.924 0.000 2
132 15 15 ARG HD2 H 3.189 0.007 2
133 15 15 ARG HD3 H 3.189 0.007 2
134 15 15 ARG HG2 H 1.794 0.001 2
135 15 15 ARG HG3 H 1.615 0.000 2
136 15 15 ARG C C 179.635 0.000 1
137 15 15 ARG CA C 59.618 0.062 1
138 15 15 ARG CB C 30.085 0.037 1
139 15 15 ARG CD C 43.213 0.000 1
140 15 15 ARG CG C 28.126 0.000 1
141 15 15 ARG N N 119.968 0.041 1
142 16 16 PHE H H 9.093 0.006 1
143 16 16 PHE HA H 4.336 0.015 1
144 16 16 PHE HB2 H 3.615 0.013 2
145 16 16 PHE HB3 H 3.196 0.009 2
146 16 16 PHE HD1 H 7.133 0.007 .
147 16 16 PHE HD2 H 7.133 0.007 .
148 16 16 PHE HE1 H 7.133 0.007 .
149 16 16 PHE HE2 H 7.133 0.007 .
150 16 16 PHE HZ H 7.133 0.007 .
151 16 16 PHE C C 175.955 0.000 1
152 16 16 PHE CA C 60.591 0.080 1
153 16 16 PHE CB C 38.748 0.130 1
154 16 16 PHE N N 123.257 0.029 1
155 17 17 LEU H H 8.476 0.009 1
156 17 17 LEU HA H 3.719 0.006 1
157 17 17 LEU HB2 H 2.000 0.008 2
158 17 17 LEU HB3 H 1.357 0.009 2
159 17 17 LEU HD1 H 0.638 0.007 .
160 17 17 LEU HD2 H 0.674 0.006 .
161 17 17 LEU C C 180.097 0.000 1
162 17 17 LEU CA C 58.347 0.027 1
163 17 17 LEU CB C 40.750 0.024 1
164 17 17 LEU CD1 C 25.245 0.087 2
165 17 17 LEU CD2 C 21.312 0.024 2
166 17 17 LEU N N 117.141 0.039 1
167 18 18 THR H H 8.381 0.009 1
168 18 18 THR HA H 3.927 0.007 1
169 18 18 THR HB H 4.203 0.005 1
170 18 18 THR HG2 H 1.191 0.006 .
171 18 18 THR C C 176.566 0.000 1
172 18 18 THR CA C 66.997 0.077 1
173 18 18 THR CB C 68.707 0.062 1
174 18 18 THR CG2 C 21.908 0.048 1
175 18 18 THR N N 115.537 0.048 1
176 19 19 THR H H 8.318 0.008 1
177 19 19 THR HA H 4.133 0.003 1
178 19 19 THR HB H 3.732 0.000 1
179 19 19 THR C C 175.628 0.000 1
180 19 19 THR CA C 67.856 0.000 1
181 19 19 THR N N 121.043 0.028 1
182 20 20 LEU H H 7.973 0.007 1
183 20 20 LEU HA H 3.722 0.015 1
184 20 20 LEU HB2 H 1.760 0.009 2
185 20 20 LEU HB3 H 1.106 0.013 2
186 20 20 LEU HD1 H 0.416 0.000 .
187 20 20 LEU HD2 H 0.553 0.014 .
188 20 20 LEU HG H 1.387 0.011 1
189 20 20 LEU C C 178.701 0.000 1
190 20 20 LEU CA C 58.156 0.078 1
191 20 20 LEU CB C 42.191 0.042 1
192 20 20 LEU CD1 C 25.532 0.070 2
193 20 20 LEU CD2 C 22.752 0.020 2
194 20 20 LEU CG C 25.520 0.012 1
195 20 20 LEU N N 119.128 0.042 1
196 21 21 GLN H H 7.245 0.009 1
197 21 21 GLN HA H 3.943 0.007 1
198 21 21 GLN HB2 H 2.117 0.000 2
199 21 21 GLN HB3 H 2.117 0.000 2
200 21 21 GLN C C 177.882 0.000 1
201 21 21 GLN CA C 59.093 0.030 1
202 21 21 GLN CB C 30.237 0.000 1
203 21 21 GLN CG C 35.831 0.000 1
204 21 21 GLN N N 116.251 0.037 1
205 22 22 GLN H H 8.178 0.008 1
206 22 22 GLN HA H 4.020 0.014 1
207 22 22 GLN HB2 H 2.042 0.012 2
208 22 22 GLN HB3 H 2.042 0.012 2
209 22 22 GLN HG2 H 2.171 0.006 2
210 22 22 GLN HG3 H 2.171 0.006 2
211 22 22 GLN C C 178.169 0.000 1
212 22 22 GLN CA C 59.119 0.071 1
213 22 22 GLN CB C 28.471 0.000 1
214 22 22 GLN CG C 33.562 0.000 1
215 22 22 GLN N N 120.766 0.066 1
216 23 23 PHE H H 8.756 0.011 1
217 23 23 PHE HA H 3.975 0.006 1
218 23 23 PHE HB2 H 3.259 0.000 2
219 23 23 PHE HB3 H 3.098 0.000 2
220 23 23 PHE C C 179.670 0.000 1
221 23 23 PHE CA C 59.065 0.052 1
222 23 23 PHE N N 117.829 0.087 1
223 24 24 GLY H H 8.637 0.008 1
224 24 24 GLY HA2 H 3.803 0.000 .
225 24 24 GLY HA3 H 3.503 0.000 .
226 24 24 GLY C C 173.927 0.000 1
227 24 24 GLY CA C 47.840 0.050 1
228 24 24 GLY N N 106.466 0.102 1
229 25 25 ASN H H 8.224 0.011 1
230 25 25 ASN HA H 4.333 0.004 1
231 25 25 ASN HB2 H 2.926 0.007 2
232 25 25 ASN HB3 H 2.803 0.006 2
233 25 25 ASN C C 176.789 0.000 1
234 25 25 ASN CA C 55.546 0.043 1
235 25 25 ASN CB C 38.462 0.008 1
236 25 25 ASN N N 119.899 0.050 1
237 26 26 ASP H H 7.884 0.010 1
238 26 26 ASP HA H 4.415 0.012 1
239 26 26 ASP HB2 H 2.919 0.008 2
240 26 26 ASP HB3 H 2.733 0.011 2
241 26 26 ASP C C 177.640 0.000 1
242 26 26 ASP CA C 56.123 0.040 1
243 26 26 ASP CB C 40.752 0.010 1
244 26 26 ASP N N 117.864 0.039 1
245 27 27 ILE H H 7.480 0.009 1
246 27 27 ILE HA H 3.882 0.013 1
247 27 27 ILE HB H 2.081 0.014 1
248 27 27 ILE HD1 H 0.924 0.013 .
249 27 27 ILE HG12 H 1.986 0.007 2
250 27 27 ILE HG13 H 1.127 0.007 2
251 27 27 ILE HG2 H 1.001 0.008 .
252 27 27 ILE C C 176.772 0.000 1
253 27 27 ILE CA C 65.167 0.064 1
254 27 27 ILE CB C 37.848 0.042 1
255 27 27 ILE CD1 C 13.881 0.077 1
256 27 27 ILE CG2 C 17.757 0.036 1
257 27 27 ILE N N 121.001 0.027 1
258 28 28 SER H H 7.784 0.010 1
259 28 28 SER HA H 4.845 0.007 1
260 28 28 SER HB2 H 4.290 0.008 2
261 28 28 SER HB3 H 4.290 0.008 2
262 28 28 SER CA C 56.980 0.054 1
263 28 28 SER CB C 63.116 0.005 1
264 28 28 SER N N 110.976 0.026 1
265 29 29 PRO HA H 4.500 0.007 1
266 29 29 PRO HB2 H 2.435 0.005 2
267 29 29 PRO HB3 H 1.959 0.005 2
268 29 29 PRO HG2 H 2.218 0.000 2
269 29 29 PRO HG3 H 2.092 0.016 2
270 29 29 PRO C C 179.619 0.000 1
271 29 29 PRO CA C 65.199 0.047 1
272 29 29 PRO CB C 31.798 0.051 1
273 29 29 PRO CG C 27.952 0.000 1
274 30 30 GLU H H 8.448 0.004 1
275 30 30 GLU HA H 4.085 0.009 1
276 30 30 GLU HB2 H 2.078 0.006 2
277 30 30 GLU HB3 H 1.910 0.002 2
278 30 30 GLU HG2 H 2.296 0.013 2
279 30 30 GLU HG3 H 2.296 0.013 2
280 30 30 GLU C C 179.702 0.000 1
281 30 30 GLU CA C 60.101 0.062 1
282 30 30 GLU CB C 29.155 0.025 1
283 30 30 GLU CG C 36.792 0.031 1
284 30 30 GLU N N 117.567 0.023 1
285 31 31 ILE H H 8.007 0.006 1
286 31 31 ILE HA H 3.808 0.024 1
287 31 31 ILE HB H 2.207 0.012 1
288 31 31 ILE HD1 H 0.773 0.007 .
289 31 31 ILE HG12 H 1.479 0.012 2
290 31 31 ILE HG13 H 1.406 0.011 2
291 31 31 ILE HG2 H 0.800 0.006 .
292 31 31 ILE C C 178.684 0.000 1
293 31 31 ILE CA C 62.783 0.079 1
294 31 31 ILE CB C 34.766 0.044 1
295 31 31 ILE CD1 C 10.028 0.057 1
296 31 31 ILE CG1 C 28.521 0.086 1
297 31 31 ILE CG2 C 18.392 0.026 1
298 31 31 ILE N N 122.790 0.021 1
299 32 32 GLY H H 8.835 0.007 1
300 32 32 GLY HA2 H 4.289 0.012 2
301 32 32 GLY HA3 H 3.399 0.005 2
302 32 32 GLY C C 176.803 0.000 1
303 32 32 GLY CA C 48.010 0.034 1
304 32 32 GLY N N 110.400 0.025 1
305 33 33 GLU H H 8.167 0.006 1
306 33 33 GLU HA H 4.257 0.010 1
307 33 33 GLU HB2 H 2.112 0.013 2
308 33 33 GLU HB3 H 2.093 0.004 2
309 33 33 GLU HG2 H 2.330 0.006 2
310 33 33 GLU HG3 H 2.330 0.006 2
311 33 33 GLU C C 178.675 0.000 1
312 33 33 GLU CA C 58.948 0.073 1
313 33 33 GLU CB C 29.065 0.071 1
314 33 33 GLU CG C 35.570 0.035 1
315 33 33 GLU N N 122.565 0.025 1
316 34 34 ARG H H 7.844 0.008 1
317 34 34 ARG HA H 4.094 0.008 1
318 34 34 ARG HB2 H 2.000 0.010 2
319 34 34 ARG HB3 H 2.000 0.010 2
320 34 34 ARG HD2 H 3.165 0.014 2
321 34 34 ARG HD3 H 3.165 0.014 2
322 34 34 ARG HG2 H 1.687 0.010 2
323 34 34 ARG HG3 H 1.687 0.010 2
324 34 34 ARG C C 179.077 0.000 1
325 34 34 ARG CA C 59.018 0.055 1
326 34 34 ARG CB C 29.761 0.037 1
327 34 34 ARG CD C 43.511 0.000 1
328 34 34 ARG CG C 26.587 0.000 1
329 34 34 ARG N N 121.566 0.019 1
330 35 35 VAL H H 8.756 0.012 1
331 35 35 VAL HA H 3.366 0.009 1
332 35 35 VAL HB H 2.226 0.008 1
333 35 35 VAL HG1 H 0.800 0.005 .
334 35 35 VAL HG2 H 0.904 0.005 .
335 35 35 VAL C C 176.933 0.000 1
336 35 35 VAL CA C 67.805 0.049 1
337 35 35 VAL CB C 31.349 0.093 1
338 35 35 VAL CG1 C 21.622 0.032 2
339 35 35 VAL CG2 C 23.584 0.017 2
340 35 35 VAL N N 118.650 0.020 1
341 36 36 ARG H H 8.270 0.010 1
342 36 36 ARG HA H 3.928 0.017 1
343 36 36 ARG HB2 H 2.038 0.010 2
344 36 36 ARG HB3 H 2.038 0.010 2
345 36 36 ARG HD2 H 3.234 0.000 2
346 36 36 ARG HD3 H 3.234 0.000 2
347 36 36 ARG HG2 H 1.668 0.000 2
348 36 36 ARG HG3 H 1.668 0.000 2
349 36 36 ARG C C 178.701 0.000 1
350 36 36 ARG CA C 60.591 0.034 1
351 36 36 ARG CB C 30.060 0.013 1
352 36 36 ARG CD C 43.536 0.000 1
353 36 36 ARG CG C 27.492 0.000 1
354 36 36 ARG N N 121.041 0.038 1
355 37 37 THR H H 8.248 0.006 1
356 37 37 THR HA H 3.900 0.008 1
357 37 37 THR HB H 4.336 0.018 1
358 37 37 THR HG2 H 1.262 0.006 .
359 37 37 THR C C 177.586 0.000 1
360 37 37 THR CA C 66.818 0.084 1
361 37 37 THR CB C 68.992 0.010 1
362 37 37 THR CG2 C 21.949 0.029 1
363 37 37 THR N N 114.062 0.050 1
364 38 38 LEU H H 8.150 0.007 1
365 38 38 LEU HA H 4.220 0.013 1
366 38 38 LEU HB2 H 2.200 0.010 2
367 38 38 LEU HB3 H 1.427 0.016 2
368 38 38 LEU HD1 H 0.525 0.006 .
369 38 38 LEU HD2 H 0.810 0.007 .
370 38 38 LEU HG H 1.982 0.007 1
371 38 38 LEU C C 178.394 0.000 1
372 38 38 LEU CA C 58.086 0.091 1
373 38 38 LEU CB C 41.766 0.039 1
374 38 38 LEU CD1 C 25.495 0.075 2
375 38 38 LEU CD2 C 23.653 0.052 2
376 38 38 LEU CG C 26.595 0.087 1
377 38 38 LEU N N 124.334 0.045 1
378 39 39 VAL H H 8.838 0.009 1
379 39 39 VAL HA H 3.471 0.011 1
380 39 39 VAL HB H 2.283 0.011 1
381 39 39 VAL HG1 H 0.901 0.006 .
382 39 39 VAL HG2 H 1.137 0.010 .
383 39 39 VAL C C 177.617 0.000 1
384 39 39 VAL CA C 67.547 0.092 1
385 39 39 VAL CB C 31.660 0.043 1
386 39 39 VAL CG1 C 22.281 0.053 2
387 39 39 VAL CG2 C 23.325 0.033 2
388 39 39 VAL N N 120.021 0.025 1
389 40 40 LEU H H 8.324 0.009 1
390 40 40 LEU HA H 3.953 0.011 1
391 40 40 LEU HB2 H 1.765 0.015 2
392 40 40 LEU HB3 H 1.542 0.010 2
393 40 40 LEU HD1 H 0.861 0.007 .
394 40 40 LEU HD2 H 0.839 0.005 .
395 40 40 LEU HG H 1.740 0.001 1
396 40 40 LEU C C 178.988 0.000 1
397 40 40 LEU CA C 58.272 0.035 1
398 40 40 LEU CB C 41.398 0.066 1
399 40 40 LEU CD1 C 24.906 0.032 2
400 40 40 LEU CD2 C 23.697 0.031 2
401 40 40 LEU CG C 27.053 0.065 1
402 40 40 LEU N N 119.181 0.053 1
403 41 41 GLY H H 7.950 0.011 1
404 41 41 GLY HA2 H 4.033 0.000 .
405 41 41 GLY HA3 H 3.546 0.000 .
406 41 41 GLY C C 175.775 0.000 1
407 41 41 GLY CA C 46.722 0.160 1
408 41 41 GLY N N 106.044 0.039 1
409 42 42 LEU H H 8.193 0.009 1
410 42 42 LEU HA H 4.063 0.013 1
411 42 42 LEU HB2 H 1.945 0.007 2
412 42 42 LEU HB3 H 1.101 0.011 2
413 42 42 LEU HD1 H 0.546 0.000 .
414 42 42 LEU HD2 H -0.045 0.000 .
415 42 42 LEU HG H 1.182 0.010 1
416 42 42 LEU C C 177.076 3.274 1
417 42 42 LEU CA C 57.751 0.112 1
418 42 42 LEU CB C 41.882 0.055 1
419 42 42 LEU CD1 C 23.586 0.038 2
420 42 42 LEU CD2 C 25.082 0.074 2
421 42 42 LEU CG C 25.745 0.005 1
422 42 42 LEU N N 123.402 0.043 1
423 43 43 VAL H H 8.358 0.013 1
424 43 43 VAL HA H 3.498 0.008 1
425 43 43 VAL HB H 2.068 0.009 1
426 43 43 VAL HG1 H 0.803 0.006 .
427 43 43 VAL HG2 H 0.906 0.009 .
428 43 43 VAL C C 177.293 0.000 1
429 43 43 VAL CA C 66.904 0.043 1
430 43 43 VAL CB C 31.604 0.007 1
431 43 43 VAL CG1 C 21.958 0.065 2
432 43 43 VAL CG2 C 22.081 0.051 2
433 43 43 VAL N N 116.984 0.061 1
434 44 44 ASN H H 8.432 0.004 1
435 44 44 ASN HA H 4.679 0.030 1
436 44 44 ASN HB2 H 3.007 0.007 2
437 44 44 ASN HB3 H 2.764 0.020 2
438 44 44 ASN C C 174.791 0.000 1
439 44 44 ASN CA C 53.213 0.079 1
440 44 44 ASN CB C 38.332 0.024 1
441 44 44 ASN N N 116.583 0.042 1
442 45 45 SER H H 7.566 0.012 1
443 45 45 SER HA H 4.312 0.013 1
444 45 45 SER HB2 H 4.081 0.017 2
445 45 45 SER HB3 H 4.081 0.017 2
446 45 45 SER C C 174.559 0.000 1
447 45 45 SER CA C 60.264 0.057 1
448 45 45 SER CB C 61.737 0.054 1
449 45 45 SER N N 110.114 0.058 1
450 46 46 THR H H 8.797 0.008 1
451 46 46 THR HA H 4.273 0.011 1
452 46 46 THR HB H 4.714 0.000 1
453 46 46 THR HG2 H 1.154 0.006 .
454 46 46 THR C C 174.399 0.000 1
455 46 46 THR CA C 63.559 0.049 1
456 46 46 THR CB C 68.719 0.069 1
457 46 46 THR CG2 C 22.088 0.044 1
458 46 46 THR N N 113.096 0.053 1
459 47 47 LEU H H 7.290 0.007 1
460 47 47 LEU HA H 4.805 0.009 1
461 47 47 LEU HB2 H 1.566 0.008 2
462 47 47 LEU HB3 H 1.305 0.008 2
463 47 47 LEU HD1 H 1.056 0.008 .
464 47 47 LEU HD2 H 0.919 0.015 .
465 47 47 LEU HG H 2.286 0.009 1
466 47 47 LEU C C 176.572 0.000 1
467 47 47 LEU CA C 53.137 0.047 1
468 47 47 LEU CB C 45.813 0.034 1
469 47 47 LEU CD1 C 26.945 0.114 2
470 47 47 LEU CD2 C 24.976 0.026 2
471 47 47 LEU CG C 27.239 0.009 1
472 47 47 LEU N N 121.607 0.034 1
473 48 48 THR H H 8.648 0.012 1
474 48 48 THR HA H 4.433 0.009 1
475 48 48 THR HB H 4.767 0.006 1
476 48 48 THR HG2 H 1.337 0.010 .
477 48 48 THR C C 175.348 0.000 1
478 48 48 THR CA C 60.759 0.056 1
479 48 48 THR CB C 71.336 0.042 1
480 48 48 THR CG2 C 22.041 0.082 1
481 48 48 THR N N 112.448 0.035 1
482 49 49 ILE H H 8.848 0.008 1
483 49 49 ILE HA H 3.499 0.009 1
484 49 49 ILE HB H 1.717 0.032 1
485 49 49 ILE HD1 H 0.884 0.008 .
486 49 49 ILE HG12 H 1.790 0.003 .
487 49 49 ILE HG13 H 1.790 0.003 .
488 49 49 ILE HG2 H 1.013 0.007 .
489 49 49 ILE C C 177.478 0.000 1
490 49 49 ILE CA C 66.346 0.080 1
491 49 49 ILE CB C 38.274 0.035 1
492 49 49 ILE CD1 C 14.047 0.046 1
493 49 49 ILE CG1 C 31.511 0.043 1
494 49 49 ILE CG2 C 19.111 0.081 1
495 49 49 ILE N N 121.537 0.031 1
496 50 50 GLU H H 9.335 0.019 1
497 50 50 GLU HA H 3.899 0.009 1
498 50 50 GLU HB2 H 2.130 0.001 2
499 50 50 GLU HB3 H 1.960 0.006 2
500 50 50 GLU HG2 H 2.593 0.007 2
501 50 50 GLU HG3 H 2.146 0.004 2
502 50 50 GLU C C 179.757 0.000 1
503 50 50 GLU CA C 61.859 0.060 1
504 50 50 GLU CB C 28.500 0.003 1
505 50 50 GLU CG C 37.906 0.040 1
506 50 50 GLU N N 118.685 0.032 1
507 51 51 GLU H H 8.016 0.007 1
508 51 51 GLU HA H 4.134 0.009 1
509 51 51 GLU HB2 H 2.283 0.011 2
510 51 51 GLU HB3 H 1.881 0.018 2
511 51 51 GLU HG2 H 2.361 0.031 2
512 51 51 GLU HG3 H 2.260 0.008 2
513 51 51 GLU C C 178.368 0.000 1
514 51 51 GLU CA C 59.094 0.083 1
515 51 51 GLU CB C 30.742 0.047 1
516 51 51 GLU CG C 37.044 0.198 1
517 51 51 GLU N N 121.300 0.017 1
518 52 52 PHE H H 8.907 0.008 1
519 52 52 PHE HA H 3.939 0.011 1
520 52 52 PHE HB2 H 3.458 0.009 2
521 52 52 PHE HB3 H 2.994 0.006 2
522 52 52 PHE HD1 H 7.092 0.017 .
523 52 52 PHE HD2 H 7.092 0.017 .
524 52 52 PHE HE1 H 7.092 0.017 .
525 52 52 PHE HE2 H 7.092 0.017 .
526 52 52 PHE HZ H 7.092 0.017 .
527 52 52 PHE C C 175.252 0.000 1
528 52 52 PHE CA C 62.132 0.072 1
529 52 52 PHE CB C 39.629 0.030 1
530 52 52 PHE N N 119.707 0.028 1
531 53 53 HIS H H 8.583 0.004 1
532 53 53 HIS HA H 3.633 0.013 1
533 53 53 HIS HB2 H 3.335 0.010 2
534 53 53 HIS HB3 H 3.027 0.011 2
535 53 53 HIS C C 176.804 0.000 1
536 53 53 HIS CA C 61.099 0.050 1
537 53 53 HIS CB C 31.324 0.055 1
538 53 53 HIS N N 118.329 0.066 1
539 54 54 SER H H 8.010 0.003 1
540 54 54 SER HA H 4.138 0.011 1
541 54 54 SER HB2 H 4.005 0.008 2
542 54 54 SER HB3 H 4.005 0.008 2
543 54 54 SER C C 177.937 0.000 1
544 54 54 SER CA C 61.671 0.135 1
545 54 54 SER CB C 63.031 0.032 1
546 54 54 SER N N 112.722 0.035 1
547 55 55 LYS H H 8.798 0.014 1
548 55 55 LYS HA H 4.002 0.010 1
549 55 55 LYS HG2 H 1.508 0.000 2
550 55 55 LYS HG3 H 1.508 0.000 2
551 55 55 LYS C C 179.911 0.000 1
552 55 55 LYS CA C 59.134 0.037 1
553 55 55 LYS CB C 33.023 0.104 1
554 55 55 LYS CD C 29.112 0.000 1
555 55 55 LYS CE C 41.799 0.000 1
556 55 55 LYS CG C 26.559 0.000 1
557 55 55 LYS N N 121.102 0.037 1
558 56 56 LEU H H 8.707 0.009 1
559 56 56 LEU HA H 3.629 0.010 1
560 56 56 LEU HB2 H 1.398 0.005 2
561 56 56 LEU HB3 H 0.838 0.012 2
562 56 56 LEU HD1 H 0.724 0.000 .
563 56 56 LEU HD2 H 0.724 0.000 .
564 56 56 LEU HG H 1.275 0.003 1
565 56 56 LEU C C 180.211 0.000 1
566 56 56 LEU CA C 57.744 0.126 1
567 56 56 LEU CB C 41.103 0.025 1
568 56 56 LEU CD1 C 24.736 0.051 2
569 56 56 LEU CD2 C 26.932 0.086 2
570 56 56 LEU N N 122.118 0.045 1
571 57 57 GLN H H 7.787 0.009 1
572 57 57 GLN HA H 3.867 0.009 1
573 57 57 GLN CA C 59.873 0.035 1
574 57 57 GLN CB C 29.102 0.000 1
575 57 57 GLN N N 120.503 0.072 1
576 58 58 GLU H H 7.772 0.010 1
577 58 58 GLU HA H 3.942 0.005 1
578 58 58 GLU HB2 H 2.031 0.022 2
579 58 58 GLU HB3 H 2.031 0.022 2
580 58 58 GLU HG2 H 2.355 0.003 2
581 58 58 GLU HG3 H 2.161 0.014 2
582 58 58 GLU C C 177.805 0.000 1
583 58 58 GLU CA C 58.829 0.107 1
584 58 58 GLU CB C 29.968 0.000 1
585 58 58 GLU CG C 36.206 0.014 1
586 59 59 ALA H H 7.579 0.011 1
587 59 59 ALA HA H 4.166 0.012 1
588 59 59 ALA HB H 1.328 0.011 .
589 59 59 ALA C C 178.195 0.000 1
590 59 59 ALA CA C 53.965 0.045 1
591 59 59 ALA CB C 19.367 0.016 1
592 59 59 ALA N N 117.222 0.022 1
593 60 60 THR H H 7.292 0.007 1
594 60 60 THR HG2 H 1.327 0.000 .
595 60 60 THR CA C 61.604 0.000 1
596 60 60 THR N N 102.499 0.076 1
597 61 61 ASN H H 8.363 0.000 1
598 61 61 ASN HA H 4.452 0.001 1
599 61 61 ASN HB2 H 3.047 0.000 2
600 61 61 ASN HB3 H 2.725 0.000 2
601 61 61 ASN CA C 54.296 0.020 1
602 64 64 LEU HA H 4.559 0.012 1
603 64 64 LEU HB2 H 1.684 0.002 2
604 64 64 LEU HB3 H 1.551 0.007 2
605 64 64 LEU HD1 H 0.817 0.006 .
606 64 64 LEU HD2 H 1.012 0.003 .
607 64 64 LEU HG H 1.360 0.000 1
608 64 64 LEU C C 177.318 0.000 1
609 64 64 LEU CA C 54.483 0.040 1
610 64 64 LEU CB C 42.835 0.045 1
611 64 64 LEU CD1 C 26.326 0.082 2
612 64 64 LEU CD2 C 23.822 0.020 2
613 65 65 ARG H H 8.181 0.006 1
614 65 65 ARG HA H 4.653 0.000 1
615 65 65 ARG CA C 54.930 0.072 1
616 65 65 ARG CB C 29.007 0.000 1
617 65 65 ARG N N 122.995 0.034 1
618 66 66 PRO HA H 4.305 0.006 1
619 66 66 PRO HB2 H 2.435 0.004 2
620 66 66 PRO HB3 H 1.934 0.009 2
621 66 66 PRO HG2 H 2.121 0.000 2
622 66 66 PRO HG3 H 2.121 0.000 2
623 66 66 PRO C C 178.057 0.000 1
624 66 66 PRO CA C 65.634 0.049 1
625 66 66 PRO CB C 31.765 0.000 1
626 66 66 PRO CG C 27.682 0.000 1
627 67 67 PHE H H 7.610 0.005 1
628 67 67 PHE HA H 4.495 0.012 1
629 67 67 PHE HB2 H 3.414 0.007 2
630 67 67 PHE HB3 H 2.825 0.016 2
631 67 67 PHE HD1 H 7.090 0.010 .
632 67 67 PHE HD2 H 7.090 0.010 .
633 67 67 PHE HE1 H 7.090 0.010 .
634 67 67 PHE HE2 H 7.090 0.010 .
635 67 67 PHE HZ H 7.090 0.010 .
636 67 67 PHE C C 173.919 0.000 1
637 67 67 PHE CA C 58.089 0.042 1
638 67 67 PHE CB C 39.813 0.102 1
639 67 67 PHE N N 115.695 0.037 1
640 68 68 VAL H H 7.998 0.010 1
641 68 68 VAL HA H 3.300 0.019 1
642 68 68 VAL HB H 2.296 0.009 1
643 68 68 VAL HG1 H 1.180 0.007 .
644 68 68 VAL HG2 H 1.361 0.005 .
645 68 68 VAL C C 176.471 0.000 1
646 68 68 VAL CA C 67.255 0.100 1
647 68 68 VAL CB C 32.165 0.082 1
648 68 68 VAL CG1 C 22.345 0.023 2
649 68 68 VAL CG2 C 26.246 0.055 2
650 68 68 VAL N N 116.165 0.050 1
651 69 69 ILE H H 7.445 0.011 1
652 69 69 ILE HA H 3.787 0.019 1
653 69 69 ILE HB H 2.023 0.006 1
654 69 69 ILE HD1 H 0.510 0.008 .
655 69 69 ILE HG12 H 1.338 0.005 2
656 69 69 ILE HG13 H 0.766 0.006 2
657 69 69 ILE HG2 H 0.833 0.009 .
658 69 69 ILE CA C 67.328 0.093 1
659 69 69 ILE CB C 34.905 0.000 1
660 69 69 ILE CD1 C 11.825 0.069 1
661 69 69 ILE CG1 C 29.543 0.010 1
662 69 69 ILE CG2 C 16.903 0.023 1
663 69 69 ILE N N 115.514 0.052 1
664 70 70 PRO HA H 4.144 0.009 1
665 70 70 PRO HB2 H 2.263 0.008 2
666 70 70 PRO HB3 H 1.829 0.011 2
667 70 70 PRO HD2 H 3.379 0.006 2
668 70 70 PRO HD3 H 4.021 0.002 2
669 70 70 PRO HG2 H 2.202 0.005 2
670 70 70 PRO HG3 H 2.055 0.008 2
671 70 70 PRO C C 179.553 0.000 1
672 70 70 PRO CA C 65.765 0.071 1
673 70 70 PRO CB C 30.555 0.033 1
674 70 70 PRO CD C 48.837 0.032 1
675 70 70 PRO CG C 27.683 0.101 1
676 71 71 PHE H H 8.012 0.006 1
677 71 71 PHE HA H 3.808 0.015 1
678 71 71 PHE HB2 H 2.522 0.013 2
679 71 71 PHE HB3 H 2.045 0.017 2
680 71 71 PHE HD1 H 6.939 0.003 .
681 71 71 PHE HD2 H 6.939 0.003 .
682 71 71 PHE HE1 H 6.939 0.003 .
683 71 71 PHE HE2 H 6.939 0.003 .
684 71 71 PHE HZ H 6.939 0.003 .
685 71 71 PHE C C 178.488 0.000 1
686 71 71 PHE CA C 61.835 0.051 1
687 71 71 PHE CB C 38.936 0.026 1
688 71 71 PHE N N 119.495 0.034 1
689 72 72 LEU H H 8.649 0.012 1
690 72 72 LEU HA H 3.802 0.013 1
691 72 72 LEU HB2 H 2.325 0.021 2
692 72 72 LEU HB3 H 1.170 0.006 2
693 72 72 LEU HD1 H 1.066 0.000 .
694 72 72 LEU HD2 H 0.930 0.009 .
695 72 72 LEU HG H 2.298 0.000 1
696 72 72 LEU C C 178.804 0.000 1
697 72 72 LEU CA C 58.102 0.063 1
698 72 72 LEU CB C 42.623 0.041 1
699 72 72 LEU CD1 C 27.163 0.036 2
700 72 72 LEU CD2 C 24.027 0.043 2
701 72 72 LEU CG C 27.234 0.000 1
702 72 72 LEU N N 121.002 0.024 1
703 73 73 LYS H H 8.722 0.008 1
704 73 73 LYS HA H 3.748 0.017 1
705 73 73 LYS HB2 H 1.807 0.016 2
706 73 73 LYS HB3 H 1.807 0.016 2
707 73 73 LYS HD2 H 1.617 0.007 2
708 73 73 LYS HD3 H 1.617 0.007 2
709 73 73 LYS HE2 H 2.819 0.009 2
710 73 73 LYS HE3 H 2.819 0.009 2
711 73 73 LYS HG2 H 1.595 0.009 2
712 73 73 LYS HG3 H 1.381 0.006 2
713 73 73 LYS C C 178.645 0.000 1
714 73 73 LYS CA C 59.834 0.073 1
715 73 73 LYS CB C 32.383 0.037 1
716 73 73 LYS CD C 29.401 0.116 1
717 73 73 LYS CE C 42.172 0.000 1
718 73 73 LYS CG C 26.611 0.261 1
719 73 73 LYS N N 119.152 0.031 1
720 74 74 ALA H H 7.448 0.006 1
721 74 74 ALA HA H 4.133 0.011 1
722 74 74 ALA HB H 1.307 0.010 .
723 74 74 ALA C C 179.051 0.000 1
724 74 74 ALA CA C 53.985 0.054 1
725 74 74 ALA CB C 19.199 0.028 1
726 74 74 ALA N N 115.694 0.019 1
727 75 75 ASN H H 7.328 0.006 1
728 75 75 ASN HA H 4.822 0.010 1
729 75 75 ASN HB2 H 2.066 0.013 2
730 75 75 ASN HB3 H 1.756 0.008 2
731 75 75 ASN C C 175.823 0.000 1
732 75 75 ASN CA C 55.160 0.033 1
733 75 75 ASN CB C 41.609 0.028 1
734 75 75 ASN N N 111.481 0.023 1
735 76 76 LEU H H 9.334 0.011 1
736 76 76 LEU HA H 4.100 0.010 1
737 76 76 LEU HB2 H 2.031 0.009 2
738 76 76 LEU HB3 H 1.358 0.010 2
739 76 76 LEU HD2 H 0.824 0.006 .
740 76 76 LEU HG H 1.461 0.006 1
741 76 76 LEU CA C 59.591 0.066 1
742 76 76 LEU CB C 39.878 0.033 1
743 76 76 LEU CD2 C 26.683 0.071 2
744 76 76 LEU N N 123.756 0.027 1
745 77 77 PRO HA H 4.530 0.006 1
746 77 77 PRO HB2 H 2.409 0.008 2
747 77 77 PRO HB3 H 1.688 0.011 2
748 77 77 PRO HD2 H 3.623 0.013 2
749 77 77 PRO HD3 H 3.174 0.010 2
750 77 77 PRO HG2 H 2.073 0.011 2
751 77 77 PRO HG3 H 1.948 0.004 2
752 77 77 PRO C C 179.066 0.000 1
753 77 77 PRO CA C 66.066 0.047 1
754 77 77 PRO CB C 31.247 0.028 1
755 77 77 PRO CD C 51.217 0.039 1
756 77 77 PRO CG C 28.672 0.000 1
757 78 78 LEU H H 7.049 0.006 1
758 78 78 LEU HA H 4.050 0.011 1
759 78 78 LEU HB2 H 2.028 0.005 2
760 78 78 LEU HB3 H 1.562 0.010 2
761 78 78 LEU HD1 H 1.003 0.000 .
762 78 78 LEU HD2 H 1.003 0.000 .
763 78 78 LEU HG H 1.763 0.005 1
764 78 78 LEU C C 179.503 0.000 1
765 78 78 LEU CA C 57.687 0.036 1
766 78 78 LEU CB C 41.711 0.026 1
767 78 78 LEU CD1 C 25.316 0.082 2
768 78 78 LEU CD2 C 23.163 0.045 2
769 78 78 LEU N N 115.007 0.024 1
770 79 79 LEU H H 7.324 0.010 1
771 79 79 LEU HA H 4.086 0.014 1
772 79 79 LEU HB2 H 2.011 0.011 2
773 79 79 LEU HB3 H 1.411 0.008 2
774 79 79 LEU HD1 H 0.911 0.013 .
775 79 79 LEU HD2 H 0.771 0.005 .
776 79 79 LEU C C 178.350 0.000 1
777 79 79 LEU CA C 57.600 0.040 1
778 79 79 LEU CB C 42.447 0.022 1
779 79 79 LEU CD1 C 24.608 0.093 2
780 79 79 LEU CD2 C 26.683 0.105 2
781 79 79 LEU N N 121.540 0.028 1
782 80 80 GLN H H 8.368 0.009 1
783 80 80 GLN HA H 3.794 0.007 1
784 80 80 GLN HB2 H 2.219 0.004 2
785 80 80 GLN HB3 H 2.219 0.004 2
786 80 80 GLN HG2 H 2.494 0.005 2
787 80 80 GLN HG3 H 2.377 0.008 2
788 80 80 GLN C C 178.333 0.000 1
789 80 80 GLN CA C 59.714 0.022 1
790 80 80 GLN CB C 27.779 0.023 1
791 80 80 GLN CG C 34.200 0.000 1
792 80 80 GLN N N 117.258 0.047 1
793 81 81 ARG H H 8.008 0.006 1
794 81 81 ARG HA H 4.060 0.012 1
795 81 81 ARG HB2 H 1.853 0.000 2
796 81 81 ARG HB3 H 1.853 0.000 2
797 81 81 ARG HD2 H 3.179 0.000 2
798 81 81 ARG HD3 H 3.179 0.000 2
799 81 81 ARG HG2 H 1.610 0.006 2
800 81 81 ARG HG3 H 1.610 0.006 2
801 81 81 ARG C C 178.522 0.000 1
802 81 81 ARG CA C 59.578 0.011 1
803 81 81 ARG CB C 30.201 0.004 1
804 81 81 ARG CD C 43.679 0.000 1
805 81 81 ARG CG C 27.503 0.000 1
806 81 81 ARG N N 118.214 0.041 1
807 82 82 GLU H H 7.541 0.010 1
808 82 82 GLU HA H 4.138 0.014 1
809 82 82 GLU HB2 H 1.906 0.003 2
810 82 82 GLU HB3 H 1.906 0.003 2
811 82 82 GLU HG2 H 2.263 0.000 2
812 82 82 GLU HG3 H 2.168 0.009 2
813 82 82 GLU C C 178.661 0.000 1
814 82 82 GLU CA C 59.480 0.031 1
815 82 82 GLU CB C 29.980 0.002 1
816 82 82 GLU CG C 36.632 0.000 1
817 82 82 GLU N N 120.465 0.028 1
818 83 83 LEU H H 8.185 0.010 1
819 83 83 LEU HA H 4.548 0.000 1
820 83 83 LEU HB2 H 1.746 0.000 2
821 83 83 LEU HB3 H 1.514 0.003 2
822 83 83 LEU HD1 H 0.768 0.002 .
823 83 83 LEU C C 178.783 0.000 1
824 83 83 LEU CA C 57.639 0.012 1
825 83 83 LEU CB C 41.767 0.026 1
826 83 83 LEU CD1 C 25.598 0.039 2
827 83 83 LEU CD2 C 23.718 0.000 2
828 83 83 LEU N N 119.539 0.073 1
829 84 84 LEU H H 7.904 0.004 1
830 84 84 LEU HA H 4.023 0.021 1
831 84 84 LEU HB2 H 1.724 0.000 2
832 84 84 LEU HB3 H 1.605 0.003 2
833 84 84 LEU HD1 H 0.873 0.000 .
834 84 84 LEU HD2 H 0.830 0.001 .
835 84 84 LEU C C 178.819 0.000 1
836 84 84 LEU CA C 57.574 0.023 1
837 84 84 LEU CB C 41.773 0.014 1
838 84 84 LEU CD1 C 24.442 0.056 2
839 84 84 LEU CD2 C 23.912 0.030 2
840 84 84 LEU CG C 27.307 0.000 1
841 84 84 LEU N N 119.245 0.032 1
842 85 85 HIS H H 7.933 0.007 1
843 85 85 HIS HA H 4.430 0.013 1
844 85 85 HIS HB2 H 3.395 0.009 2
845 85 85 HIS HB3 H 3.244 0.011 2
846 85 85 HIS C C 176.678 0.000 1
847 85 85 HIS CA C 58.303 0.073 1
848 85 85 HIS CB C 29.338 0.272 1
849 85 85 HIS N N 117.790 0.088 1
850 86 86 CYS H H 8.184 0.004 1
851 86 86 CYS HA H 4.020 0.017 1
852 86 86 CYS HB2 H 2.768 0.012 2
853 86 86 CYS HB3 H 2.768 0.012 2
854 86 86 CYS C C 176.113 0.000 1
855 86 86 CYS CA C 61.988 0.123 1
856 86 86 CYS CB C 27.111 0.066 1
857 86 86 CYS N N 117.665 0.031 1
858 87 87 ALA H H 8.179 0.006 1
859 87 87 ALA HA H 3.847 0.015 1
860 87 87 ALA HB H 1.309 0.009 .
861 87 87 ALA C C 178.762 0.000 1
862 87 87 ALA CA C 54.545 0.058 1
863 87 87 ALA CB C 18.082 0.056 1
864 87 87 ALA N N 123.869 0.061 1
865 88 88 ARG H H 7.959 0.006 1
866 88 88 ARG HA H 4.104 0.013 1
867 88 88 ARG C C 178.961 0.000 1
868 88 88 ARG CA C 58.339 0.036 1
869 88 88 ARG CB C 30.054 0.000 1
870 88 88 ARG N N 118.132 0.032 1
871 89 89 LEU H H 7.801 0.011 1
872 89 89 LEU HA H 4.090 0.008 1
873 89 89 LEU HB2 H 1.630 0.009 2
874 89 89 LEU HB3 H 1.508 0.009 2
875 89 89 LEU HD1 H 0.777 0.008 .
876 89 89 LEU HD2 H 0.790 0.006 .
877 89 89 LEU C C 177.910 0.000 1
878 89 89 LEU CA C 56.742 0.122 1
879 89 89 LEU CB C 41.934 0.025 1
880 89 89 LEU CD1 C 24.957 0.038 2
881 89 89 LEU CD2 C 23.140 0.020 2
882 89 89 LEU CG C 26.943 0.000 1
883 89 89 LEU N N 120.777 0.020 1
884 90 90 ALA H H 7.671 0.013 1
885 90 90 ALA HA H 4.201 0.010 1
886 90 90 ALA HB H 1.378 0.008 .
887 90 90 ALA C C 177.101 0.000 1
888 90 90 ALA CA C 52.762 0.085 1
889 90 90 ALA CB C 18.887 0.043 1
890 90 90 ALA N N 121.280 0.066 1
891 91 91 LYS H H 7.833 0.004 1
892 91 91 LYS HA H 4.040 0.013 1
893 91 91 LYS HB2 H 1.871 0.008 2
894 91 91 LYS HB3 H 1.871 0.008 2
895 91 91 LYS HD2 H 1.653 0.008 2
896 91 91 LYS HD3 H 1.653 0.008 2
897 91 91 LYS HE2 H 2.978 0.011 2
898 91 91 LYS HE3 H 2.978 0.011 2
899 91 91 LYS HG2 H 1.384 0.010 2
900 91 91 LYS HG3 H 1.384 0.010 2
901 91 91 LYS C C 176.281 0.000 1
902 91 91 LYS CA C 56.881 0.053 1
903 91 91 LYS CB C 31.104 0.063 1
904 91 91 LYS CD C 29.129 0.016 1
905 91 91 LYS CG C 25.062 0.020 1
906 91 91 LYS N N 116.737 0.041 1
907 92 92 GLN H H 8.026 0.007 1
908 92 92 GLN HA H 4.441 0.006 1
909 92 92 GLN C C 175.478 0.000 1
910 92 92 GLN CA C 55.344 0.034 1
911 92 92 GLN CB C 31.272 0.010 1
912 92 92 GLN CG C 34.043 0.000 1
913 92 92 GLN N N 118.117 0.043 1
914 93 93 ASN H H 8.355 0.004 1
915 93 93 ASN HA H 4.917 0.008 1
916 93 93 ASN HB2 H 2.847 0.007 2
917 93 93 ASN HB3 H 2.847 0.007 2
918 93 93 ASN CA C 51.535 0.162 1
919 93 93 ASN CB C 38.572 0.027 1
920 93 93 ASN N N 119.476 0.036 1
921 94 94 PRO HA H 4.156 0.007 1
922 94 94 PRO HB2 H 2.211 0.003 2
923 94 94 PRO HB3 H 1.979 0.013 2
924 94 94 PRO HD2 H 3.788 0.006 2
925 94 94 PRO HD3 H 3.788 0.006 2
926 94 94 PRO HG2 H 2.127 0.000 2
927 94 94 PRO HG3 H 2.127 0.000 2
928 94 94 PRO C C 177.204 0.000 1
929 94 94 PRO CA C 65.425 0.054 1
930 94 94 PRO CB C 31.997 0.014 1
931 94 94 PRO CD C 50.766 0.103 1
932 94 94 PRO CG C 27.713 0.039 1
933 95 95 ALA H H 8.173 0.004 1
934 95 95 ALA HA H 4.142 0.010 1
935 95 95 ALA HB H 1.386 0.007 .
936 95 95 ALA C C 179.602 0.000 1
937 95 95 ALA CA C 54.465 0.075 1
938 95 95 ALA CB C 18.458 0.011 1
939 95 95 ALA N N 119.801 0.029 1
940 96 96 GLN H H 7.839 0.006 1
941 96 96 GLN HA H 4.125 0.011 1
942 96 96 GLN C C 177.036 0.000 1
943 96 96 GLN CA C 57.435 0.084 1
944 96 96 GLN CB C 29.117 0.000 1
945 96 96 GLN CG C 33.875 0.000 1
946 96 96 GLN N N 118.167 0.049 1
947 97 97 TYR H H 8.081 0.008 1
948 97 97 TYR HA H 4.246 0.014 1
949 97 97 TYR HB2 H 2.990 0.010 2
950 97 97 TYR HB3 H 2.885 0.012 2
951 97 97 TYR CA C 60.474 0.084 1
952 97 97 TYR CB C 38.778 0.004 1
953 97 97 TYR N N 120.080 0.029 1
954 98 98 LEU H H 8.196 0.000 1
955 98 98 LEU C C 177.578 0.000 1
956 99 99 ALA H H 7.679 0.008 1
957 99 99 ALA HA H 4.176 0.000 1
958 99 99 ALA HB H 1.386 0.013 .
959 99 99 ALA C C 178.529 0.000 1
960 99 99 ALA CA C 53.428 0.057 1
961 99 99 ALA CB C 18.774 0.000 1
962 99 99 ALA N N 120.883 0.094 1
963 100 100 GLN H H 7.808 0.007 1
964 100 100 GLN HA H 4.170 0.005 1
965 100 100 GLN HG2 H 2.327 0.000 2
966 100 100 GLN HG3 H 2.213 0.007 2
967 100 100 GLN C C 175.963 0.000 1
968 100 100 GLN CA C 56.382 0.123 1
969 100 100 GLN CB C 29.293 0.061 1
970 100 100 GLN CG C 33.954 0.000 1
971 100 100 GLN N N 116.585 0.077 1
972 101 101 HIS H H 8.055 0.002 1
973 101 101 HIS HA H 4.609 0.003 1
974 101 101 HIS HB2 H 3.256 0.005 2
975 101 101 HIS HB3 H 2.759 0.000 2
976 101 101 HIS C C 174.584 0.000 1
977 101 101 HIS CA C 55.684 0.063 1
978 101 101 HIS CB C 29.102 0.064 1
979 101 101 HIS N N 118.150 0.034 1
980 102 102 GLU H H 8.215 0.002 1
981 102 102 GLU HA H 4.118 0.003 1
982 102 102 GLU C C 176.724 0.000 1
983 102 102 GLU CA C 57.818 0.006 1
984 102 102 GLU CB C 29.853 0.023 1
985 102 102 GLU CG C 36.173 0.000 1
986 102 102 GLU N N 121.755 0.052 1
987 103 103 GLN H H 8.376 0.002 1
988 103 103 GLN HA H 4.234 0.007 1
989 103 103 GLN HB2 H 1.998 0.002 2
990 103 103 GLN HB3 H 1.840 0.000 2
991 103 103 GLN HG2 H 2.276 0.004 2
992 103 103 GLN HG3 H 2.276 0.004 2
993 103 103 GLN C C 175.787 0.000 1
994 103 103 GLN CA C 56.078 0.097 1
995 103 103 GLN CB C 29.078 0.035 1
996 103 103 GLN CG C 33.820 0.026 1
997 103 103 GLN N N 118.571 0.066 1
stop_
save_
save_assigned_chem_shift_list_1_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D HNCACB'
'3D HCCH-TOCSY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name entity_2
_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
1 118 1 ILE H H 8.098 0.003 1
2 118 1 ILE HA H 4.105 0.008 1
3 118 1 ILE HB H 1.813 0.006 1
4 118 1 ILE HD1 H 0.782 0.004 .
5 118 1 ILE HG12 H 1.424 0.009 2
6 118 1 ILE HG13 H 1.106 0.008 2
7 118 1 ILE HG2 H 0.836 0.007 .
8 118 1 ILE C C 176.346 0.000 1
9 118 1 ILE CA C 61.618 0.051 1
10 118 1 ILE CB C 38.709 0.064 1
11 118 1 ILE CD1 C 13.250 0.040 1
12 118 1 ILE CG1 C 27.355 0.095 1
13 118 1 ILE CG2 C 17.566 0.022 1
14 118 1 ILE N N 122.044 0.020 1
15 119 2 GLY H H 8.261 0.006 1
16 119 2 GLY HA2 H 3.838 0.015 2
17 119 2 GLY HA3 H 3.838 0.015 2
18 119 2 GLY C C 174.045 0.000 1
19 119 2 GLY CA C 45.242 0.022 1
20 119 2 GLY N N 111.557 0.058 1
21 120 3 THR H H 7.902 0.003 1
22 120 3 THR HA H 3.990 0.012 1
23 120 3 THR HB H 3.997 0.016 1
24 120 3 THR HG2 H 1.016 0.011 .
25 120 3 THR C C 174.271 0.000 1
26 120 3 THR CA C 62.183 0.071 1
27 120 3 THR CB C 69.586 0.078 1
28 120 3 THR CG2 C 21.745 0.037 1
29 120 3 THR N N 113.204 0.027 1
30 121 4 ASP H H 7.788 0.003 1
31 121 4 ASP HA H 4.363 0.006 1
32 121 4 ASP HB2 H 2.635 0.009 2
33 121 4 ASP HB3 H 2.482 0.004 2
34 121 4 ASP C C 176.857 0.000 1
35 121 4 ASP CA C 54.312 0.044 1
36 121 4 ASP CB C 41.094 0.035 1
37 121 4 ASP N N 122.502 0.056 1
38 122 5 LYS H H 8.337 0.010 1
39 122 5 LYS HA H 4.125 0.008 1
40 122 5 LYS HB2 H 1.853 0.008 2
41 122 5 LYS HB3 H 1.853 0.008 2
42 122 5 LYS HD2 H 1.622 0.000 2
43 122 5 LYS HD3 H 1.622 0.000 2
44 122 5 LYS HE2 H 2.958 0.000 2
45 122 5 LYS HE3 H 2.958 0.000 2
46 122 5 LYS HG2 H 1.425 0.007 2
47 122 5 LYS HG3 H 1.425 0.007 2
48 122 5 LYS C C 178.674 0.000 1
49 122 5 LYS CA C 58.199 0.058 1
50 122 5 LYS CB C 32.215 0.001 1
51 122 5 LYS CD C 28.940 0.030 1
52 122 5 LYS CG C 24.934 0.125 1
53 122 5 LYS N N 123.095 0.059 1
54 123 6 GLU H H 8.357 0.009 1
55 123 6 GLU HA H 4.153 0.013 1
56 123 6 GLU HB2 H 2.023 0.000 2
57 123 6 GLU HB3 H 2.023 0.000 2
58 123 6 GLU HG2 H 2.281 0.026 2
59 123 6 GLU HG3 H 2.218 0.016 2
60 123 6 GLU C C 177.093 0.000 1
61 123 6 GLU CA C 58.606 0.203 1
62 123 6 GLU CB C 29.971 0.000 1
63 123 6 GLU CG C 36.545 0.000 1
64 123 6 GLU N N 120.136 0.065 1
65 124 7 LEU H H 8.030 0.006 1
66 124 7 LEU HA H 4.456 0.008 1
67 124 7 LEU HB2 H 2.110 0.004 2
68 124 7 LEU HB3 H 1.861 0.010 2
69 124 7 LEU HD1 H 1.059 0.005 .
70 124 7 LEU HD2 H 0.875 0.015 .
71 124 7 LEU C C 178.427 0.000 1
72 124 7 LEU CA C 54.307 0.095 1
73 124 7 LEU CB C 42.348 0.017 1
74 124 7 LEU CD1 C 26.798 0.000 2
75 124 7 LEU CD2 C 23.777 0.044 2
76 124 7 LEU CG C 26.908 0.000 1
77 124 7 LEU N N 113.640 0.029 1
78 125 8 SER H H 7.899 0.004 1
79 125 8 SER HA H 4.498 0.012 1
80 125 8 SER HB2 H 4.104 0.012 2
81 125 8 SER HB3 H 4.104 0.012 2
82 125 8 SER C C 173.699 0.000 1
83 125 8 SER CA C 61.667 0.095 1
84 125 8 SER CB C 63.412 0.038 1
85 125 8 SER N N 116.332 0.022 1
86 126 9 ASP H H 8.446 0.006 1
87 126 9 ASP HA H 4.391 0.010 1
88 126 9 ASP HB2 H 2.546 0.005 2
89 126 9 ASP HB3 H 2.449 0.012 2
90 126 9 ASP C C 175.614 0.000 1
91 126 9 ASP CA C 53.780 0.067 1
92 126 9 ASP CB C 38.831 0.063 1
93 126 9 ASP N N 117.090 0.041 1
94 127 10 LEU H H 7.754 0.007 1
95 127 10 LEU HA H 4.327 0.011 1
96 127 10 LEU HB2 H 1.515 0.017 2
97 127 10 LEU HB3 H 0.890 0.016 2
98 127 10 LEU HD1 H -0.362 0.076 .
99 127 10 LEU HD2 H -0.025 0.010 .
100 127 10 LEU HG H 1.293 0.007 1
101 127 10 LEU C C 175.805 0.000 1
102 127 10 LEU CA C 55.429 0.049 1
103 127 10 LEU CB C 44.171 0.083 1
104 127 10 LEU CD1 C 25.478 0.035 2
105 127 10 LEU CD2 C 23.291 0.071 2
106 127 10 LEU N N 119.159 0.031 1
107 128 11 LEU H H 7.628 0.007 1
108 128 11 LEU HA H 4.688 0.016 1
109 128 11 LEU HB2 H 1.107 0.017 2
110 128 11 LEU HB3 H 0.852 0.006 2
111 128 11 LEU HD1 H 0.714 0.010 .
112 128 11 LEU HD2 H 0.616 0.008 .
113 128 11 LEU HG H 1.415 0.009 1
114 128 11 LEU CA C 53.159 0.072 1
115 128 11 LEU CB C 45.690 0.025 1
116 128 11 LEU CD1 C 25.600 0.058 2
117 128 11 LEU CD2 C 24.485 0.020 2
118 128 11 LEU CG C 27.315 0.004 1
119 128 11 LEU N N 118.594 0.051 1
120 129 12 ASP HA H 4.771 0.010 1
121 129 12 ASP HB2 H 2.942 0.007 2
122 129 12 ASP HB3 H 2.209 0.004 2
123 129 12 ASP C C 176.167 0.000 1
124 129 12 ASP CA C 51.889 0.089 1
125 129 12 ASP CB C 39.948 0.060 1
126 130 13 PHE H H 8.322 0.006 1
127 130 13 PHE HA H 4.161 0.016 1
128 130 13 PHE HB2 H 3.269 0.012 2
129 130 13 PHE HB3 H 2.987 0.008 2
130 130 13 PHE HD1 H 7.262 0.000 .
131 130 13 PHE HD2 H 7.262 0.000 .
132 130 13 PHE HE1 H 7.262 0.000 .
133 130 13 PHE HE2 H 7.262 0.000 .
134 130 13 PHE HZ H 7.262 0.000 .
135 130 13 PHE C C 177.744 0.000 1
136 130 13 PHE CA C 60.705 0.039 1
137 130 13 PHE CB C 38.721 0.014 1
138 130 13 PHE N N 123.385 0.044 1
139 131 14 SER H H 8.395 0.007 1
140 131 14 SER HA H 4.303 0.010 1
141 131 14 SER HB2 H 3.979 0.012 2
142 131 14 SER HB3 H 3.979 0.012 2
143 131 14 SER C C 175.154 0.000 1
144 131 14 SER CA C 61.097 0.070 1
145 131 14 SER CB C 62.984 0.040 1
146 131 14 SER N N 115.357 0.020 1
147 132 15 ALA H H 7.453 0.010 1
148 132 15 ALA HA H 4.340 0.017 1
149 132 15 ALA HB H 1.337 0.008 .
150 132 15 ALA C C 177.974 0.000 1
151 132 15 ALA CA C 52.359 0.038 1
152 132 15 ALA CB C 19.192 0.026 1
153 132 15 ALA N N 119.732 8.380 1
154 133 16 MET H H 7.451 0.007 1
155 133 16 MET HA H 4.101 0.013 1
156 133 16 MET HB2 H 2.107 0.010 2
157 133 16 MET HB3 H 1.911 0.015 2
158 133 16 MET HE H 1.540 0.024 .
159 133 16 MET C C 175.604 0.000 1
160 133 16 MET CA C 56.753 0.089 1
161 133 16 MET CB C 33.646 0.032 1
162 133 16 MET CG C 32.046 0.000 1
163 133 16 MET N N 116.930 0.021 1
164 134 17 PHE H H 7.793 0.007 1
165 134 17 PHE HA H 4.790 0.010 1
166 134 17 PHE HB2 H 3.293 0.008 2
167 134 17 PHE HB3 H 2.907 0.007 2
168 134 17 PHE HD1 H 7.213 0.000 .
169 134 17 PHE HD2 H 7.213 0.000 .
170 134 17 PHE HE1 H 7.213 0.000 .
171 134 17 PHE HE2 H 7.213 0.000 .
172 134 17 PHE HZ H 7.213 0.000 .
173 134 17 PHE C C 174.825 0.000 1
174 134 17 PHE CA C 57.057 0.049 1
175 134 17 PHE CB C 39.473 0.041 1
176 134 17 PHE N N 117.773 0.038 1
177 135 18 SER H H 7.750 0.006 1
178 135 18 SER HA H 4.283 0.009 1
179 135 18 SER HB2 H 3.858 0.006 2
180 135 18 SER HB3 H 3.858 0.006 2
181 135 18 SER CA C 60.714 0.000 1
182 135 18 SER CB C 65.042 0.026 1
183 135 18 SER N N 121.597 0.034 1
stop_
save_