data_27349
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 27349
_Entry.Title
;
1H, 13C, 15N chemical shift assignments of initiation factor 1 from Clostridium difficile
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2017-12-26
_Entry.Accession_date 2017-12-26
_Entry.Last_release_date 2017-12-26
_Entry.Original_release_date 2017-12-26
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.0.16
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 Yonghong Zhang . . . . 27349
2 Faith Aguilar . . . . 27349
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 27349
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 300 27349
'15N chemical shifts' 74 27349
'1H chemical shifts' 483 27349
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2019-04-25 2017-12-26 update BMRB 'update entry citation' 27349
1 . . 2019-01-10 2017-12-26 original author 'original release' 27349
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 27349
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 30370502
_Citation.Full_citation .
_Citation.Title
;
1H, 13C, 15N chemical shift assignments of initiation factor 1 from Clostridium difficile
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Biomol. NMR Assignments'
_Citation.Journal_name_full .
_Citation.Journal_volume 13
_Citation.Journal_issue 1
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 91
_Citation.Page_last 95
_Citation.Year 2019
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Faith Aguilar F. . . . 27349 1
2 Niaz Banaei N. . . . 27349 1
3 Yonghong Zhang Y. . . . 27349 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 27349
_Assembly.ID 1
_Assembly.Name 'C. difficile IF1'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'C. difficile IF1' 1 $C_difficile_IF1 A . yes native no no . . . 27349 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_C_difficile_IF1
_Entity.Sf_category entity
_Entity.Sf_framecode C_difficile_IF1
_Entity.Entry_ID 27349
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name C_difficile_IF1
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MASMAKKDVIELEGTVSEAL
PNAMFKVKLENGHEILCHIS
GKLRMNFIRILEGDKVNVEL
SPYDLTRGRITWRKKLEHHH
HHH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq 'Sequence numbering starts from -2, e.g. -2, -1, 0, 1, 2, ...'
_Entity.Polymer_author_seq_details
;
Residues- MAS at the very beginning and Residues-LEHHHHHH
at the end represent non-native residues because of
subcloning and affinity tag.
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 83
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 -2 MET . 27349 1
2 -1 ALA . 27349 1
3 0 SER . 27349 1
4 1 MET . 27349 1
5 2 ALA . 27349 1
6 3 LYS . 27349 1
7 4 LYS . 27349 1
8 5 ASP . 27349 1
9 6 VAL . 27349 1
10 7 ILE . 27349 1
11 8 GLU . 27349 1
12 9 LEU . 27349 1
13 10 GLU . 27349 1
14 11 GLY . 27349 1
15 12 THR . 27349 1
16 13 VAL . 27349 1
17 14 SER . 27349 1
18 15 GLU . 27349 1
19 16 ALA . 27349 1
20 17 LEU . 27349 1
21 18 PRO . 27349 1
22 19 ASN . 27349 1
23 20 ALA . 27349 1
24 21 MET . 27349 1
25 22 PHE . 27349 1
26 23 LYS . 27349 1
27 24 VAL . 27349 1
28 25 LYS . 27349 1
29 26 LEU . 27349 1
30 27 GLU . 27349 1
31 28 ASN . 27349 1
32 29 GLY . 27349 1
33 30 HIS . 27349 1
34 31 GLU . 27349 1
35 32 ILE . 27349 1
36 33 LEU . 27349 1
37 34 CYS . 27349 1
38 35 HIS . 27349 1
39 36 ILE . 27349 1
40 37 SER . 27349 1
41 38 GLY . 27349 1
42 39 LYS . 27349 1
43 40 LEU . 27349 1
44 41 ARG . 27349 1
45 42 MET . 27349 1
46 43 ASN . 27349 1
47 44 PHE . 27349 1
48 45 ILE . 27349 1
49 46 ARG . 27349 1
50 47 ILE . 27349 1
51 48 LEU . 27349 1
52 49 GLU . 27349 1
53 50 GLY . 27349 1
54 51 ASP . 27349 1
55 52 LYS . 27349 1
56 53 VAL . 27349 1
57 54 ASN . 27349 1
58 55 VAL . 27349 1
59 56 GLU . 27349 1
60 57 LEU . 27349 1
61 58 SER . 27349 1
62 59 PRO . 27349 1
63 60 TYR . 27349 1
64 61 ASP . 27349 1
65 62 LEU . 27349 1
66 63 THR . 27349 1
67 64 ARG . 27349 1
68 65 GLY . 27349 1
69 66 ARG . 27349 1
70 67 ILE . 27349 1
71 68 THR . 27349 1
72 69 TRP . 27349 1
73 70 ARG . 27349 1
74 71 LYS . 27349 1
75 72 LYS . 27349 1
76 73 LEU . 27349 1
77 74 GLU . 27349 1
78 75 HIS . 27349 1
79 76 HIS . 27349 1
80 77 HIS . 27349 1
81 78 HIS . 27349 1
82 79 HIS . 27349 1
83 80 HIS . 27349 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 27349 1
. ALA 2 2 27349 1
. SER 3 3 27349 1
. MET 4 4 27349 1
. ALA 5 5 27349 1
. LYS 6 6 27349 1
. LYS 7 7 27349 1
. ASP 8 8 27349 1
. VAL 9 9 27349 1
. ILE 10 10 27349 1
. GLU 11 11 27349 1
. LEU 12 12 27349 1
. GLU 13 13 27349 1
. GLY 14 14 27349 1
. THR 15 15 27349 1
. VAL 16 16 27349 1
. SER 17 17 27349 1
. GLU 18 18 27349 1
. ALA 19 19 27349 1
. LEU 20 20 27349 1
. PRO 21 21 27349 1
. ASN 22 22 27349 1
. ALA 23 23 27349 1
. MET 24 24 27349 1
. PHE 25 25 27349 1
. LYS 26 26 27349 1
. VAL 27 27 27349 1
. LYS 28 28 27349 1
. LEU 29 29 27349 1
. GLU 30 30 27349 1
. ASN 31 31 27349 1
. GLY 32 32 27349 1
. HIS 33 33 27349 1
. GLU 34 34 27349 1
. ILE 35 35 27349 1
. LEU 36 36 27349 1
. CYS 37 37 27349 1
. HIS 38 38 27349 1
. ILE 39 39 27349 1
. SER 40 40 27349 1
. GLY 41 41 27349 1
. LYS 42 42 27349 1
. LEU 43 43 27349 1
. ARG 44 44 27349 1
. MET 45 45 27349 1
. ASN 46 46 27349 1
. PHE 47 47 27349 1
. ILE 48 48 27349 1
. ARG 49 49 27349 1
. ILE 50 50 27349 1
. LEU 51 51 27349 1
. GLU 52 52 27349 1
. GLY 53 53 27349 1
. ASP 54 54 27349 1
. LYS 55 55 27349 1
. VAL 56 56 27349 1
. ASN 57 57 27349 1
. VAL 58 58 27349 1
. GLU 59 59 27349 1
. LEU 60 60 27349 1
. SER 61 61 27349 1
. PRO 62 62 27349 1
. TYR 63 63 27349 1
. ASP 64 64 27349 1
. LEU 65 65 27349 1
. THR 66 66 27349 1
. ARG 67 67 27349 1
. GLY 68 68 27349 1
. ARG 69 69 27349 1
. ILE 70 70 27349 1
. THR 71 71 27349 1
. TRP 72 72 27349 1
. ARG 73 73 27349 1
. LYS 74 74 27349 1
. LYS 75 75 27349 1
. LEU 76 76 27349 1
. GLU 77 77 27349 1
. HIS 78 78 27349 1
. HIS 79 79 27349 1
. HIS 80 80 27349 1
. HIS 81 81 27349 1
. HIS 82 82 27349 1
. HIS 83 83 27349 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 27349
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $C_difficile_IF1 . 1496 organism . 'Clostridium difficile' 'Clostridium difficile' . . Bacteria . Clostridium difficile . . . . . . . . . . . . . 27349 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 27349
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $C_difficile_IF1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET24b . . . 27349 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 27349
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'C. difficile IF1' '[U-99% 15N]' . . 1 $C_difficile_IF1 . . 1 . . mM . . . . 27349 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 27349
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'C. difficile IF1' '[U-99% 13C; U-99% 15N]' . . 1 $C_difficile_IF1 . . 1 . . mM . . . . 27349 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 27349
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'C. difficile IF1' '[U-99% 13C; U-99% 15N]' . . 1 $C_difficile_IF1 . . 1 . . mM . . . . 27349 3
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 27349
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.12 . M 27349 1
pH 5.1 . pH 27349 1
pressure 1 . atm 27349 1
temperature 298 . K 27349 1
stop_
save_
############################
# Computer software used #
############################
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 27349
_Software.ID 1
_Software.Type .
_Software.Name SPARKY
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 27349 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 27349 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 27349
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 27349
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_3
_NMR_spectrometer.Entry_ID 27349
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 27349
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker AMX . 600 . . . 27349 1
2 spectrometer_2 Bruker Avance . 600 . . . 27349 1
3 spectrometer_3 Bruker Avance . 700 . . . 27349 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 27349
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1
2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1
3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1
4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1
5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1
6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1
7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1
8 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27349 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 27349
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27349 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27349 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27349 1
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
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 27349
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 27349 1
2 '3D CBCA(CO)NH' . . . 27349 1
3 '3D HNCACB' . . . 27349 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 4 4 MET H H 1 8.595 0.00 . 1 . . . . . 1 MET H . 27349 1
2 . 1 1 4 4 MET HA H 1 4.563 0.00 . 1 . . . . . 1 MET HA . 27349 1
3 . 1 1 4 4 MET HB2 H 1 2.095 0.00 . 2 . . . . . 1 MET HB2 . 27349 1
4 . 1 1 4 4 MET HG2 H 1 2.622 0.00 . 2 . . . . . 1 MET HG2 . 27349 1
5 . 1 1 4 4 MET HE1 H 1 2.087 0.00 . 1 . . . . . 1 MET HE1 . 27349 1
6 . 1 1 4 4 MET HE2 H 1 2.087 0.00 . 1 . . . . . 1 MET HE1 . 27349 1
7 . 1 1 4 4 MET HE3 H 1 2.087 0.00 . 1 . . . . . 1 MET HE1 . 27349 1
8 . 1 1 4 4 MET C C 13 175.637 0.00 . 1 . . . . . 1 MET C . 27349 1
9 . 1 1 4 4 MET CA C 13 55.920 0.00 . 1 . . . . . 1 MET CA . 27349 1
10 . 1 1 4 4 MET CB C 13 33.120 0.00 . 1 . . . . . 1 MET CB . 27349 1
11 . 1 1 4 4 MET CG C 13 31.802 0.00 . 1 . . . . . 1 MET CG . 27349 1
12 . 1 1 4 4 MET CE C 13 16.886 0.00 . 1 . . . . . 1 MET CE . 27349 1
13 . 1 1 4 4 MET N N 15 123.108 0.00 . 1 . . . . . 1 MET N . 27349 1
14 . 1 1 5 5 ALA H H 1 8.476 0.00 . 1 . . . . . 2 ALA H . 27349 1
15 . 1 1 5 5 ALA HA H 1 4.335 0.00 . 1 . . . . . 2 ALA HA . 27349 1
16 . 1 1 5 5 ALA HB1 H 1 1.379 0.02 . 1 . . . . . 2 ALA HB1 . 27349 1
17 . 1 1 5 5 ALA HB2 H 1 1.379 0.02 . 1 . . . . . 2 ALA HB1 . 27349 1
18 . 1 1 5 5 ALA HB3 H 1 1.379 0.02 . 1 . . . . . 2 ALA HB1 . 27349 1
19 . 1 1 5 5 ALA C C 13 177.594 0.00 . 1 . . . . . 2 ALA C . 27349 1
20 . 1 1 5 5 ALA CA C 13 52.631 0.01 . 1 . . . . . 2 ALA CA . 27349 1
21 . 1 1 5 5 ALA CB C 13 19.197 0.06 . 1 . . . . . 2 ALA CB . 27349 1
22 . 1 1 5 5 ALA N N 15 126.309 0.07 . 1 . . . . . 2 ALA N . 27349 1
23 . 1 1 6 6 LYS H H 1 8.355 0.00 . 1 . . . . . 3 LYS H . 27349 1
24 . 1 1 6 6 LYS HA H 1 4.293 0.02 . 1 . . . . . 3 LYS HA . 27349 1
25 . 1 1 6 6 LYS HB2 H 1 1.818 0.00 . 2 . . . . . 3 LYS HB2 . 27349 1
26 . 1 1 6 6 LYS HE2 H 1 2.985 0.00 . 2 . . . . . 3 LYS HE2 . 27349 1
27 . 1 1 6 6 LYS C C 13 176.551 0.00 . 1 . . . . . 3 LYS C . 27349 1
28 . 1 1 6 6 LYS CA C 13 56.326 0.16 . 1 . . . . . 3 LYS CA . 27349 1
29 . 1 1 6 6 LYS CB C 13 33.034 0.07 . 1 . . . . . 3 LYS CB . 27349 1
30 . 1 1 6 6 LYS N N 15 121.358 0.03 . 1 . . . . . 3 LYS N . 27349 1
31 . 1 1 7 7 LYS H H 1 8.381 0.00 . 1 . . . . . 4 LYS H . 27349 1
32 . 1 1 7 7 LYS HA H 1 4.370 0.02 . 1 . . . . . 4 LYS HA . 27349 1
33 . 1 1 7 7 LYS HB2 H 1 1.831 0.02 . 2 . . . . . 4 LYS HB2 . 27349 1
34 . 1 1 7 7 LYS HB3 H 1 1.811 0.00 . 2 . . . . . 4 LYS HB3 . 27349 1
35 . 1 1 7 7 LYS HE2 H 1 2.981 0.00 . 2 . . . . . 4 LYS HE2 . 27349 1
36 . 1 1 7 7 LYS C C 13 176.096 0.00 . 1 . . . . . 4 LYS C . 27349 1
37 . 1 1 7 7 LYS CA C 13 56.248 0.11 . 1 . . . . . 4 LYS CA . 27349 1
38 . 1 1 7 7 LYS CB C 13 33.186 0.08 . 1 . . . . . 4 LYS CB . 27349 1
39 . 1 1 7 7 LYS N N 15 122.408 0.03 . 1 . . . . . 4 LYS N . 27349 1
40 . 1 1 8 8 ASP H H 1 8.436 0.00 . 1 . . . . . 5 ASP H . 27349 1
41 . 1 1 8 8 ASP HA H 1 4.638 0.02 . 1 . . . . . 5 ASP HA . 27349 1
42 . 1 1 8 8 ASP HB2 H 1 2.717 0.01 . 2 . . . . . 5 ASP HB2 . 27349 1
43 . 1 1 8 8 ASP HB3 H 1 2.739 0.00 . 2 . . . . . 5 ASP HB3 . 27349 1
44 . 1 1 8 8 ASP C C 13 175.262 0.00 . 1 . . . . . 5 ASP C . 27349 1
45 . 1 1 8 8 ASP CA C 13 54.524 0.10 . 1 . . . . . 5 ASP CA . 27349 1
46 . 1 1 8 8 ASP CB C 13 41.045 0.04 . 1 . . . . . 5 ASP CB . 27349 1
47 . 1 1 8 8 ASP N N 15 121.296 0.04 . 1 . . . . . 5 ASP N . 27349 1
48 . 1 1 9 9 VAL H H 1 7.753 0.00 . 1 . . . . . 6 VAL H . 27349 1
49 . 1 1 9 9 VAL HA H 1 4.553 0.01 . 1 . . . . . 6 VAL HA . 27349 1
50 . 1 1 9 9 VAL HB H 1 2.021 0.02 . 1 . . . . . 6 VAL HB . 27349 1
51 . 1 1 9 9 VAL HG11 H 1 0.855 0.02 . 2 . . . . . 6 VAL HG11 . 27349 1
52 . 1 1 9 9 VAL HG12 H 1 0.855 0.02 . 2 . . . . . 6 VAL HG11 . 27349 1
53 . 1 1 9 9 VAL HG13 H 1 0.855 0.02 . 2 . . . . . 6 VAL HG11 . 27349 1
54 . 1 1 9 9 VAL HG21 H 1 0.847 0.00 . 2 . . . . . 6 VAL HG21 . 27349 1
55 . 1 1 9 9 VAL HG22 H 1 0.847 0.00 . 2 . . . . . 6 VAL HG21 . 27349 1
56 . 1 1 9 9 VAL HG23 H 1 0.847 0.00 . 2 . . . . . 6 VAL HG21 . 27349 1
57 . 1 1 9 9 VAL C C 13 175.028 0.00 . 1 . . . . . 6 VAL C . 27349 1
58 . 1 1 9 9 VAL CA C 13 61.038 0.21 . 1 . . . . . 6 VAL CA . 27349 1
59 . 1 1 9 9 VAL CB C 13 34.763 0.15 . 1 . . . . . 6 VAL CB . 27349 1
60 . 1 1 9 9 VAL CG1 C 13 19.736 0.06 . 2 . . . . . 6 VAL CG1 . 27349 1
61 . 1 1 9 9 VAL CG2 C 13 21.574 0.08 . 2 . . . . . 6 VAL CG2 . 27349 1
62 . 1 1 9 9 VAL N N 15 115.777 0.02 . 1 . . . . . 6 VAL N . 27349 1
63 . 1 1 10 10 ILE H H 1 8.788 0.01 . 1 . . . . . 7 ILE H . 27349 1
64 . 1 1 10 10 ILE HA H 1 4.368 0.02 . 1 . . . . . 7 ILE HA . 27349 1
65 . 1 1 10 10 ILE HB H 1 1.740 0.01 . 1 . . . . . 7 ILE HB . 27349 1
66 . 1 1 10 10 ILE HG12 H 1 1.392 0.01 . 2 . . . . . 7 ILE HG12 . 27349 1
67 . 1 1 10 10 ILE HG13 H 1 0.967 0.00 . 2 . . . . . 7 ILE HG13 . 27349 1
68 . 1 1 10 10 ILE HG21 H 1 0.843 0.00 . 1 . . . . . 7 ILE HG21 . 27349 1
69 . 1 1 10 10 ILE HG22 H 1 0.849 0.00 . 1 . . . . . 7 ILE HG22 . 27349 1
70 . 1 1 10 10 ILE HG23 H 1 0.840 0.00 . 1 . . . . . 7 ILE HG23 . 27349 1
71 . 1 1 10 10 ILE HD11 H 1 0.770 0.00 . 1 . . . . . 7 ILE HD11 . 27349 1
72 . 1 1 10 10 ILE HD12 H 1 0.760 0.00 . 1 . . . . . 7 ILE HD12 . 27349 1
73 . 1 1 10 10 ILE HD13 H 1 0.767 0.00 . 1 . . . . . 7 ILE HD13 . 27349 1
74 . 1 1 10 10 ILE C C 13 174.343 0.00 . 1 . . . . . 7 ILE C . 27349 1
75 . 1 1 10 10 ILE CA C 13 60.333 0.20 . 1 . . . . . 7 ILE CA . 27349 1
76 . 1 1 10 10 ILE CB C 13 40.417 0.03 . 1 . . . . . 7 ILE CB . 27349 1
77 . 1 1 10 10 ILE CG1 C 13 27.173 0.07 . 1 . . . . . 7 ILE CG1 . 27349 1
78 . 1 1 10 10 ILE CG2 C 13 17.579 0.05 . 1 . . . . . 7 ILE CG2 . 27349 1
79 . 1 1 10 10 ILE CD1 C 13 13.386 0.01 . 1 . . . . . 7 ILE CD1 . 27349 1
80 . 1 1 10 10 ILE N N 15 123.314 0.02 . 1 . . . . . 7 ILE N . 27349 1
81 . 1 1 11 11 GLU H H 1 8.266 0.01 . 1 . . . . . 8 GLU H . 27349 1
82 . 1 1 11 11 GLU HA H 1 5.396 0.02 . 1 . . . . . 8 GLU HA . 27349 1
83 . 1 1 11 11 GLU HB2 H 1 1.890 0.00 . 2 . . . . . 8 GLU HB2 . 27349 1
84 . 1 1 11 11 GLU HB3 H 1 2.147 0.00 . 2 . . . . . 8 GLU HB3 . 27349 1
85 . 1 1 11 11 GLU HG2 H 1 2.250 0.01 . 2 . . . . . 8 GLU HG2 . 27349 1
86 . 1 1 11 11 GLU HG3 H 1 2.324 0.00 . 2 . . . . . 8 GLU HG3 . 27349 1
87 . 1 1 11 11 GLU C C 13 175.745 0.00 . 1 . . . . . 8 GLU C . 27349 1
88 . 1 1 11 11 GLU CA C 13 54.214 0.14 . 1 . . . . . 8 GLU CA . 27349 1
89 . 1 1 11 11 GLU CB C 13 30.504 0.04 . 1 . . . . . 8 GLU CB . 27349 1
90 . 1 1 11 11 GLU CG C 13 34.590 0.00 . 1 . . . . . 8 GLU CG . 27349 1
91 . 1 1 11 11 GLU N N 15 123.459 0.06 . 1 . . . . . 8 GLU N . 27349 1
92 . 1 1 12 12 LEU H H 1 9.059 0.00 . 1 . . . . . 9 LEU H . 27349 1
93 . 1 1 12 12 LEU HA H 1 4.751 0.01 . 1 . . . . . 9 LEU HA . 27349 1
94 . 1 1 12 12 LEU HB2 H 1 1.439 0.01 . 2 . . . . . 9 LEU HB2 . 27349 1
95 . 1 1 12 12 LEU HB3 H 1 1.652 0.01 . 2 . . . . . 9 LEU HB3 . 27349 1
96 . 1 1 12 12 LEU HG H 1 1.475 0.01 . 1 . . . . . 9 LEU HG . 27349 1
97 . 1 1 12 12 LEU HD11 H 1 0.841 0.00 . 2 . . . . . 9 LEU HD11 . 27349 1
98 . 1 1 12 12 LEU HD12 H 1 0.841 0.00 . 2 . . . . . 9 LEU HD11 . 27349 1
99 . 1 1 12 12 LEU HD13 H 1 0.841 0.00 . 2 . . . . . 9 LEU HD11 . 27349 1
100 . 1 1 12 12 LEU HD21 H 1 0.944 0.01 . 2 . . . . . 9 LEU HD21 . 27349 1
101 . 1 1 12 12 LEU HD22 H 1 0.944 0.01 . 2 . . . . . 9 LEU HD21 . 27349 1
102 . 1 1 12 12 LEU HD23 H 1 0.944 0.01 . 2 . . . . . 9 LEU HD21 . 27349 1
103 . 1 1 12 12 LEU C C 13 174.823 0.00 . 1 . . . . . 9 LEU C . 27349 1
104 . 1 1 12 12 LEU CA C 13 53.448 0.13 . 1 . . . . . 9 LEU CA . 27349 1
105 . 1 1 12 12 LEU CB C 13 47.028 0.02 . 1 . . . . . 9 LEU CB . 27349 1
106 . 1 1 12 12 LEU CG C 13 27.238 0.00 . 1 . . . . . 9 LEU CG . 27349 1
107 . 1 1 12 12 LEU CD1 C 13 26.744 0.00 . 2 . . . . . 9 LEU CD1 . 27349 1
108 . 1 1 12 12 LEU CD2 C 13 23.643 0.00 . 2 . . . . . 9 LEU CD2 . 27349 1
109 . 1 1 12 12 LEU N N 15 125.039 0.04 . 1 . . . . . 9 LEU N . 27349 1
110 . 1 1 13 13 GLU H H 1 8.555 0.00 . 1 . . . . . 10 GLU H . 27349 1
111 . 1 1 13 13 GLU HA H 1 5.135 0.01 . 1 . . . . . 10 GLU HA . 27349 1
112 . 1 1 13 13 GLU HB2 H 1 2.004 0.01 . 2 . . . . . 10 GLU HB2 . 27349 1
113 . 1 1 13 13 GLU HB3 H 1 2.042 0.00 . 2 . . . . . 10 GLU HB3 . 27349 1
114 . 1 1 13 13 GLU HG2 H 1 2.279 0.00 . 2 . . . . . 10 GLU HG2 . 27349 1
115 . 1 1 13 13 GLU HG3 H 1 2.296 0.00 . 2 . . . . . 10 GLU HG3 . 27349 1
116 . 1 1 13 13 GLU C C 13 176.039 0.00 . 1 . . . . . 10 GLU C . 27349 1
117 . 1 1 13 13 GLU CA C 13 55.096 0.14 . 1 . . . . . 10 GLU CA . 27349 1
118 . 1 1 13 13 GLU CB C 13 31.752 0.01 . 1 . . . . . 10 GLU CB . 27349 1
119 . 1 1 13 13 GLU CG C 13 36.750 0.00 . 1 . . . . . 10 GLU CG . 27349 1
120 . 1 1 13 13 GLU N N 15 120.061 0.03 . 1 . . . . . 10 GLU N . 27349 1
121 . 1 1 14 14 GLY H H 1 8.694 0.01 . 1 . . . . . 11 GLY H . 27349 1
122 . 1 1 14 14 GLY HA2 H 1 3.410 0.02 . 2 . . . . . 11 GLY HA2 . 27349 1
123 . 1 1 14 14 GLY HA3 H 1 4.761 0.01 . 2 . . . . . 11 GLY HA3 . 27349 1
124 . 1 1 14 14 GLY C C 13 171.436 0.00 . 1 . . . . . 11 GLY C . 27349 1
125 . 1 1 14 14 GLY CA C 13 45.337 0.05 . 1 . . . . . 11 GLY CA . 27349 1
126 . 1 1 14 14 GLY N N 15 107.806 0.02 . 1 . . . . . 11 GLY N . 27349 1
127 . 1 1 15 15 THR H H 1 8.419 0.00 . 1 . . . . . 12 THR H . 27349 1
128 . 1 1 15 15 THR HA H 1 5.197 0.01 . 1 . . . . . 12 THR HA . 27349 1
129 . 1 1 15 15 THR HB H 1 3.822 0.02 . 1 . . . . . 12 THR HB . 27349 1
130 . 1 1 15 15 THR HG21 H 1 1.073 0.01 . 1 . . . . . 12 THR HG21 . 27349 1
131 . 1 1 15 15 THR HG22 H 1 1.095 0.00 . 1 . . . . . 12 THR HG22 . 27349 1
132 . 1 1 15 15 THR HG23 H 1 1.101 0.00 . 1 . . . . . 12 THR HG23 . 27349 1
133 . 1 1 15 15 THR C C 13 174.604 0.00 . 1 . . . . . 12 THR C . 27349 1
134 . 1 1 15 15 THR CA C 13 60.711 0.07 . 1 . . . . . 12 THR CA . 27349 1
135 . 1 1 15 15 THR CB C 13 71.177 0.12 . 1 . . . . . 12 THR CB . 27349 1
136 . 1 1 15 15 THR CG2 C 13 20.791 0.00 . 1 . . . . . 12 THR CG2 . 27349 1
137 . 1 1 15 15 THR N N 15 115.436 0.05 . 1 . . . . . 12 THR N . 27349 1
138 . 1 1 16 16 VAL H H 1 9.210 0.00 . 1 . . . . . 13 VAL H . 27349 1
139 . 1 1 16 16 VAL HA H 1 3.953 0.01 . 1 . . . . . 13 VAL HA . 27349 1
140 . 1 1 16 16 VAL HB H 1 2.318 0.01 . 1 . . . . . 13 VAL HB . 27349 1
141 . 1 1 16 16 VAL HG11 H 1 0.737 0.01 . 2 . . . . . 13 VAL HG11 . 27349 1
142 . 1 1 16 16 VAL HG12 H 1 0.716 0.00 . 2 . . . . . 13 VAL HG12 . 27349 1
143 . 1 1 16 16 VAL HG13 H 1 0.721 0.00 . 2 . . . . . 13 VAL HG13 . 27349 1
144 . 1 1 16 16 VAL HG21 H 1 0.925 0.02 . 2 . . . . . 13 VAL HG21 . 27349 1
145 . 1 1 16 16 VAL HG22 H 1 0.902 0.01 . 2 . . . . . 13 VAL HG22 . 27349 1
146 . 1 1 16 16 VAL HG23 H 1 0.909 0.00 . 2 . . . . . 13 VAL HG23 . 27349 1
147 . 1 1 16 16 VAL C C 13 175.767 0.00 . 1 . . . . . 13 VAL C . 27349 1
148 . 1 1 16 16 VAL CA C 13 64.566 0.10 . 1 . . . . . 13 VAL CA . 27349 1
149 . 1 1 16 16 VAL CB C 13 31.385 0.04 . 1 . . . . . 13 VAL CB . 27349 1
150 . 1 1 16 16 VAL CG1 C 13 22.424 0.02 . 2 . . . . . 13 VAL CG1 . 27349 1
151 . 1 1 16 16 VAL CG2 C 13 22.294 0.01 . 2 . . . . . 13 VAL CG2 . 27349 1
152 . 1 1 16 16 VAL N N 15 127.058 0.03 . 1 . . . . . 13 VAL N . 27349 1
153 . 1 1 17 17 SER H H 1 9.593 0.01 . 1 . . . . . 14 SER H . 27349 1
154 . 1 1 17 17 SER HA H 1 4.665 0.01 . 1 . . . . . 14 SER HA . 27349 1
155 . 1 1 17 17 SER HB2 H 1 3.727 0.03 . 2 . . . . . 14 SER HB2 . 27349 1
156 . 1 1 17 17 SER HB3 H 1 3.853 0.02 . 2 . . . . . 14 SER HB3 . 27349 1
157 . 1 1 17 17 SER C C 13 174.969 0.00 . 1 . . . . . 14 SER C . 27349 1
158 . 1 1 17 17 SER CA C 13 58.818 0.17 . 1 . . . . . 14 SER CA . 27349 1
159 . 1 1 17 17 SER CB C 13 64.373 0.17 . 1 . . . . . 14 SER CB . 27349 1
160 . 1 1 17 17 SER N N 15 128.199 0.06 . 1 . . . . . 14 SER N . 27349 1
161 . 1 1 18 18 GLU H H 1 7.646 0.00 . 1 . . . . . 15 GLU H . 27349 1
162 . 1 1 18 18 GLU HA H 1 4.617 0.02 . 1 . . . . . 15 GLU HA . 27349 1
163 . 1 1 18 18 GLU HB2 H 1 1.867 0.01 . 2 . . . . . 15 GLU HB2 . 27349 1
164 . 1 1 18 18 GLU HB3 H 1 1.962 0.00 . 2 . . . . . 15 GLU HB3 . 27349 1
165 . 1 1 18 18 GLU HG2 H 1 2.200 0.02 . 2 . . . . . 15 GLU HG2 . 27349 1
166 . 1 1 18 18 GLU HG3 H 1 2.368 0.00 . 2 . . . . . 15 GLU HG3 . 27349 1
167 . 1 1 18 18 GLU C C 13 173.943 0.00 . 1 . . . . . 15 GLU C . 27349 1
168 . 1 1 18 18 GLU CA C 13 56.441 0.12 . 1 . . . . . 15 GLU CA . 27349 1
169 . 1 1 18 18 GLU CB C 13 34.050 0.03 . 1 . . . . . 15 GLU CB . 27349 1
170 . 1 1 18 18 GLU CG C 13 35.283 0.00 . 1 . . . . . 15 GLU CG . 27349 1
171 . 1 1 18 18 GLU N N 15 119.443 0.03 . 1 . . . . . 15 GLU N . 27349 1
172 . 1 1 19 19 ALA H H 1 9.461 0.00 . 1 . . . . . 16 ALA H . 27349 1
173 . 1 1 19 19 ALA HA H 1 4.544 0.01 . 1 . . . . . 16 ALA HA . 27349 1
174 . 1 1 19 19 ALA HB1 H 1 1.432 0.01 . 1 . . . . . 16 ALA HB1 . 27349 1
175 . 1 1 19 19 ALA HB2 H 1 1.432 0.01 . 1 . . . . . 16 ALA HB1 . 27349 1
176 . 1 1 19 19 ALA HB3 H 1 1.432 0.01 . 1 . . . . . 16 ALA HB1 . 27349 1
177 . 1 1 19 19 ALA C C 13 175.694 0.00 . 1 . . . . . 16 ALA C . 27349 1
178 . 1 1 19 19 ALA CA C 13 51.803 0.17 . 1 . . . . . 16 ALA CA . 27349 1
179 . 1 1 19 19 ALA CB C 13 19.289 0.04 . 1 . . . . . 16 ALA CB . 27349 1
180 . 1 1 19 19 ALA N N 15 130.664 0.03 . 1 . . . . . 16 ALA N . 27349 1
181 . 1 1 20 20 LEU H H 1 7.985 0.00 . 1 . . . . . 17 LEU H . 27349 1
182 . 1 1 20 20 LEU HA H 1 4.672 0.01 . 1 . . . . . 17 LEU HA . 27349 1
183 . 1 1 20 20 LEU HB2 H 1 1.234 0.00 . 2 . . . . . 17 LEU HB2 . 27349 1
184 . 1 1 20 20 LEU HB3 H 1 1.479 0.00 . 2 . . . . . 17 LEU HB3 . 27349 1
185 . 1 1 20 20 LEU HG H 1 1.324 0.02 . 1 . . . . . 17 LEU HG . 27349 1
186 . 1 1 20 20 LEU HD11 H 1 0.697 0.00 . 2 . . . . . 17 LEU HD11 . 27349 1
187 . 1 1 20 20 LEU HD12 H 1 0.697 0.00 . 2 . . . . . 17 LEU HD11 . 27349 1
188 . 1 1 20 20 LEU HD13 H 1 0.697 0.00 . 2 . . . . . 17 LEU HD11 . 27349 1
189 . 1 1 20 20 LEU HD21 H 1 0.792 0.01 . 2 . . . . . 17 LEU HD21 . 27349 1
190 . 1 1 20 20 LEU HD22 H 1 0.792 0.01 . 2 . . . . . 17 LEU HD21 . 27349 1
191 . 1 1 20 20 LEU HD23 H 1 0.792 0.01 . 2 . . . . . 17 LEU HD21 . 27349 1
192 . 1 1 20 20 LEU CA C 13 53.071 0.08 . 1 . . . . . 17 LEU CA . 27349 1
193 . 1 1 20 20 LEU CB C 13 42.081 0.04 . 1 . . . . . 17 LEU CB . 27349 1
194 . 1 1 20 20 LEU CG C 13 27.695 0.00 . 1 . . . . . 17 LEU CG . 27349 1
195 . 1 1 20 20 LEU CD1 C 13 26.039 0.06 . 2 . . . . . 17 LEU CD1 . 27349 1
196 . 1 1 20 20 LEU CD2 C 13 23.095 0.02 . 2 . . . . . 17 LEU CD2 . 27349 1
197 . 1 1 20 20 LEU N N 15 125.434 0.06 . 1 . . . . . 17 LEU N . 27349 1
198 . 1 1 21 21 PRO HA H 1 4.361 0.01 . 1 . . . . . 18 PRO HA . 27349 1
199 . 1 1 21 21 PRO HB2 H 1 1.688 0.01 . 2 . . . . . 18 PRO HB2 . 27349 1
200 . 1 1 21 21 PRO HB3 H 1 2.194 0.19 . 2 . . . . . 18 PRO HB3 . 27349 1
201 . 1 1 21 21 PRO HG2 H 1 1.973 0.02 . 2 . . . . . 18 PRO HG2 . 27349 1
202 . 1 1 21 21 PRO HD2 H 1 3.460 0.00 . 2 . . . . . 18 PRO HD2 . 27349 1
203 . 1 1 21 21 PRO HD3 H 1 3.749 0.01 . 2 . . . . . 18 PRO HD3 . 27349 1
204 . 1 1 21 21 PRO C C 13 176.082 0.00 . 1 . . . . . 18 PRO C . 27349 1
205 . 1 1 21 21 PRO CA C 13 63.109 0.07 . 1 . . . . . 18 PRO CA . 27349 1
206 . 1 1 21 21 PRO CB C 13 32.145 0.00 . 1 . . . . . 18 PRO CB . 27349 1
207 . 1 1 21 21 PRO CG C 13 27.861 0.07 . 1 . . . . . 18 PRO CG . 27349 1
208 . 1 1 22 22 ASN H H 1 8.766 0.01 . 1 . . . . . 19 ASN H . 27349 1
209 . 1 1 22 22 ASN HA H 1 4.264 0.02 . 1 . . . . . 19 ASN HA . 27349 1
210 . 1 1 22 22 ASN HB2 H 1 2.798 0.00 . 2 . . . . . 19 ASN HB2 . 27349 1
211 . 1 1 22 22 ASN HB3 H 1 2.875 0.01 . 2 . . . . . 19 ASN HB3 . 27349 1
212 . 1 1 22 22 ASN C C 13 174.249 0.00 . 1 . . . . . 19 ASN C . 27349 1
213 . 1 1 22 22 ASN CA C 13 54.087 0.14 . 1 . . . . . 19 ASN CA . 27349 1
214 . 1 1 22 22 ASN CB C 13 36.827 0.06 . 1 . . . . . 19 ASN CB . 27349 1
215 . 1 1 22 22 ASN N N 15 115.353 0.03 . 1 . . . . . 19 ASN N . 27349 1
216 . 1 1 23 23 ALA H H 1 8.471 0.00 . 1 . . . . . 20 ALA H . 27349 1
217 . 1 1 23 23 ALA HA H 1 3.856 0.01 . 1 . . . . . 20 ALA HA . 27349 1
218 . 1 1 23 23 ALA HB1 H 1 1.468 0.02 . 1 . . . . . 20 ALA HB1 . 27349 1
219 . 1 1 23 23 ALA HB2 H 1 1.468 0.02 . 1 . . . . . 20 ALA HB1 . 27349 1
220 . 1 1 23 23 ALA HB3 H 1 1.468 0.02 . 1 . . . . . 20 ALA HB1 . 27349 1
221 . 1 1 23 23 ALA C C 13 175.041 0.00 . 1 . . . . . 20 ALA C . 27349 1
222 . 1 1 23 23 ALA CA C 13 52.876 0.16 . 1 . . . . . 20 ALA CA . 27349 1
223 . 1 1 23 23 ALA CB C 13 16.471 0.02 . 1 . . . . . 20 ALA CB . 27349 1
224 . 1 1 23 23 ALA N N 15 116.105 0.04 . 1 . . . . . 20 ALA N . 27349 1
225 . 1 1 24 24 MET H H 1 6.290 0.00 . 1 . . . . . 21 MET H . 27349 1
226 . 1 1 24 24 MET HA H 1 5.262 0.01 . 1 . . . . . 21 MET HA . 27349 1
227 . 1 1 24 24 MET HB2 H 1 1.745 0.01 . 2 . . . . . 21 MET HB2 . 27349 1
228 . 1 1 24 24 MET HB3 H 1 1.775 0.00 . 2 . . . . . 21 MET HB3 . 27349 1
229 . 1 1 24 24 MET HG2 H 1 2.252 0.02 . 2 . . . . . 21 MET HG2 . 27349 1
230 . 1 1 24 24 MET HG3 H 1 2.529 0.01 . 2 . . . . . 21 MET HG3 . 27349 1
231 . 1 1 24 24 MET HE1 H 1 1.887 0.00 . 1 . . . . . 21 MET HE1 . 27349 1
232 . 1 1 24 24 MET HE2 H 1 1.882 0.00 . 1 . . . . . 21 MET HE2 . 27349 1
233 . 1 1 24 24 MET HE3 H 1 1.886 0.00 . 1 . . . . . 21 MET HE3 . 27349 1
234 . 1 1 24 24 MET C C 13 175.439 0.00 . 1 . . . . . 21 MET C . 27349 1
235 . 1 1 24 24 MET CA C 13 52.776 0.10 . 1 . . . . . 21 MET CA . 27349 1
236 . 1 1 24 24 MET CB C 13 34.400 0.04 . 1 . . . . . 21 MET CB . 27349 1
237 . 1 1 24 24 MET CG C 13 31.908 0.00 . 1 . . . . . 21 MET CG . 27349 1
238 . 1 1 24 24 MET CE C 13 16.262 0.03 . 1 . . . . . 21 MET CE . 27349 1
239 . 1 1 24 24 MET N N 15 113.795 0.03 . 1 . . . . . 21 MET N . 27349 1
240 . 1 1 25 25 PHE H H 1 8.830 0.01 . 1 . . . . . 22 PHE H . 27349 1
241 . 1 1 25 25 PHE HA H 1 5.143 0.01 . 1 . . . . . 22 PHE HA . 27349 1
242 . 1 1 25 25 PHE HB2 H 1 2.301 0.01 . 2 . . . . . 22 PHE HB2 . 27349 1
243 . 1 1 25 25 PHE HB3 H 1 2.888 0.01 . 2 . . . . . 22 PHE HB3 . 27349 1
244 . 1 1 25 25 PHE HD1 H 1 6.877 0.00 . 3 . . . . . 22 PHE HD1 . 27349 1
245 . 1 1 25 25 PHE HD2 H 1 6.916 0.02 . 3 . . . . . 22 PHE HD2 . 27349 1
246 . 1 1 25 25 PHE HE1 H 1 7.092 0.00 . 3 . . . . . 22 PHE HE1 . 27349 1
247 . 1 1 25 25 PHE HE2 H 1 7.092 0.00 . 3 . . . . . 22 PHE HE2 . 27349 1
248 . 1 1 25 25 PHE C C 13 175.334 0.00 . 1 . . . . . 22 PHE C . 27349 1
249 . 1 1 25 25 PHE CA C 13 56.882 0.13 . 1 . . . . . 22 PHE CA . 27349 1
250 . 1 1 25 25 PHE CB C 13 43.765 0.05 . 1 . . . . . 22 PHE CB . 27349 1
251 . 1 1 25 25 PHE N N 15 116.263 0.02 . 1 . . . . . 22 PHE N . 27349 1
252 . 1 1 26 26 LYS H H 1 9.223 0.00 . 1 . . . . . 23 LYS H . 27349 1
253 . 1 1 26 26 LYS HA H 1 5.136 0.03 . 1 . . . . . 23 LYS HA . 27349 1
254 . 1 1 26 26 LYS HB2 H 1 1.719 0.01 . 2 . . . . . 23 LYS HB2 . 27349 1
255 . 1 1 26 26 LYS HB3 H 1 1.744 0.00 . 2 . . . . . 23 LYS HB3 . 27349 1
256 . 1 1 26 26 LYS HG2 H 1 1.369 0.01 . 2 . . . . . 23 LYS HG2 . 27349 1
257 . 1 1 26 26 LYS HG3 H 1 1.336 0.02 . 2 . . . . . 23 LYS HG3 . 27349 1
258 . 1 1 26 26 LYS C C 13 176.001 0.00 . 1 . . . . . 23 LYS C . 27349 1
259 . 1 1 26 26 LYS CA C 13 55.940 0.15 . 1 . . . . . 23 LYS CA . 27349 1
260 . 1 1 26 26 LYS CB C 13 33.939 0.03 . 1 . . . . . 23 LYS CB . 27349 1
261 . 1 1 26 26 LYS CG C 13 25.678 0.00 . 1 . . . . . 23 LYS CG . 27349 1
262 . 1 1 26 26 LYS CD C 13 29.079 0.00 . 1 . . . . . 23 LYS CD . 27349 1
263 . 1 1 26 26 LYS N N 15 123.621 0.04 . 1 . . . . . 23 LYS N . 27349 1
264 . 1 1 27 27 VAL H H 1 9.104 0.00 . 1 . . . . . 24 VAL H . 27349 1
265 . 1 1 27 27 VAL HA H 1 4.540 0.01 . 1 . . . . . 24 VAL HA . 27349 1
266 . 1 1 27 27 VAL HB H 1 1.777 0.01 . 1 . . . . . 24 VAL HB . 27349 1
267 . 1 1 27 27 VAL HG11 H 1 0.510 0.02 . 2 . . . . . 24 VAL HG11 . 27349 1
268 . 1 1 27 27 VAL HG12 H 1 0.510 0.02 . 2 . . . . . 24 VAL HG11 . 27349 1
269 . 1 1 27 27 VAL HG13 H 1 0.510 0.02 . 2 . . . . . 24 VAL HG11 . 27349 1
270 . 1 1 27 27 VAL HG21 H 1 0.770 0.01 . 2 . . . . . 24 VAL HG21 . 27349 1
271 . 1 1 27 27 VAL HG22 H 1 0.770 0.01 . 2 . . . . . 24 VAL HG21 . 27349 1
272 . 1 1 27 27 VAL HG23 H 1 0.770 0.01 . 2 . . . . . 24 VAL HG21 . 27349 1
273 . 1 1 27 27 VAL C C 13 173.587 0.00 . 1 . . . . . 24 VAL C . 27349 1
274 . 1 1 27 27 VAL CA C 13 60.777 0.08 . 1 . . . . . 24 VAL CA . 27349 1
275 . 1 1 27 27 VAL CB C 13 35.445 0.09 . 1 . . . . . 24 VAL CB . 27349 1
276 . 1 1 27 27 VAL CG1 C 13 21.131 0.00 . 2 . . . . . 24 VAL CG1 . 27349 1
277 . 1 1 27 27 VAL CG2 C 13 23.270 0.15 . 2 . . . . . 24 VAL CG2 . 27349 1
278 . 1 1 27 27 VAL N N 15 125.614 0.03 . 1 . . . . . 24 VAL N . 27349 1
279 . 1 1 28 28 LYS H H 1 9.093 0.01 . 1 . . . . . 25 LYS H . 27349 1
280 . 1 1 28 28 LYS HA H 1 4.694 0.01 . 1 . . . . . 25 LYS HA . 27349 1
281 . 1 1 28 28 LYS HB2 H 1 1.661 0.01 . 2 . . . . . 25 LYS HB2 . 27349 1
282 . 1 1 28 28 LYS HB3 H 1 1.886 0.02 . 2 . . . . . 25 LYS HB3 . 27349 1
283 . 1 1 28 28 LYS HG2 H 1 1.296 0.00 . 2 . . . . . 25 LYS HG2 . 27349 1
284 . 1 1 28 28 LYS HG3 H 1 1.443 0.00 . 2 . . . . . 25 LYS HG3 . 27349 1
285 . 1 1 28 28 LYS C C 13 176.721 0.00 . 1 . . . . . 25 LYS C . 27349 1
286 . 1 1 28 28 LYS CA C 13 55.091 0.11 . 1 . . . . . 25 LYS CA . 27349 1
287 . 1 1 28 28 LYS CB C 13 33.241 0.03 . 1 . . . . . 25 LYS CB . 27349 1
288 . 1 1 28 28 LYS N N 15 127.887 0.02 . 1 . . . . . 25 LYS N . 27349 1
289 . 1 1 29 29 LEU H H 1 8.998 0.00 . 1 . . . . . 26 LEU H . 27349 1
290 . 1 1 29 29 LEU HA H 1 4.731 0.01 . 1 . . . . . 26 LEU HA . 27349 1
291 . 1 1 29 29 LEU HB2 H 1 1.603 0.02 . 2 . . . . . 26 LEU HB2 . 27349 1
292 . 1 1 29 29 LEU HB3 H 1 2.306 0.01 . 2 . . . . . 26 LEU HB3 . 27349 1
293 . 1 1 29 29 LEU HG H 1 1.716 0.00 . 1 . . . . . 26 LEU HG . 27349 1
294 . 1 1 29 29 LEU HD11 H 1 0.880 0.01 . 2 . . . . . 26 LEU HD11 . 27349 1
295 . 1 1 29 29 LEU HD12 H 1 0.880 0.01 . 2 . . . . . 26 LEU HD11 . 27349 1
296 . 1 1 29 29 LEU HD13 H 1 0.880 0.01 . 2 . . . . . 26 LEU HD11 . 27349 1
297 . 1 1 29 29 LEU HD21 H 1 0.634 0.02 . 2 . . . . . 26 LEU HD21 . 27349 1
298 . 1 1 29 29 LEU HD22 H 1 0.634 0.02 . 2 . . . . . 26 LEU HD21 . 27349 1
299 . 1 1 29 29 LEU HD23 H 1 0.634 0.02 . 2 . . . . . 26 LEU HD21 . 27349 1
300 . 1 1 29 29 LEU C C 13 179.196 0.00 . 1 . . . . . 26 LEU C . 27349 1
301 . 1 1 29 29 LEU CA C 13 54.429 0.20 . 1 . . . . . 26 LEU CA . 27349 1
302 . 1 1 29 29 LEU CB C 13 42.867 0.02 . 1 . . . . . 26 LEU CB . 27349 1
303 . 1 1 29 29 LEU CD1 C 13 25.809 0.11 . 2 . . . . . 26 LEU CD1 . 27349 1
304 . 1 1 29 29 LEU CD2 C 13 22.145 0.07 . 2 . . . . . 26 LEU CD2 . 27349 1
305 . 1 1 29 29 LEU N N 15 127.927 0.02 . 1 . . . . . 26 LEU N . 27349 1
306 . 1 1 30 30 GLU H H 1 8.959 0.00 . 1 . . . . . 27 GLU H . 27349 1
307 . 1 1 30 30 GLU HA H 1 4.135 0.01 . 1 . . . . . 27 GLU HA . 27349 1
308 . 1 1 30 30 GLU HB2 H 1 2.167 0.01 . 2 . . . . . 27 GLU HB2 . 27349 1
309 . 1 1 30 30 GLU HB3 H 1 2.141 0.02 . 2 . . . . . 27 GLU HB3 . 27349 1
310 . 1 1 30 30 GLU C C 13 176.511 0.00 . 1 . . . . . 27 GLU C . 27349 1
311 . 1 1 30 30 GLU CA C 13 58.698 0.11 . 1 . . . . . 27 GLU CA . 27349 1
312 . 1 1 30 30 GLU CB C 13 29.059 0.05 . 1 . . . . . 27 GLU CB . 27349 1
313 . 1 1 30 30 GLU CG C 13 36.316 0.00 . 1 . . . . . 27 GLU CG . 27349 1
314 . 1 1 30 30 GLU N N 15 120.753 0.05 . 1 . . . . . 27 GLU N . 27349 1
315 . 1 1 31 31 ASN H H 1 7.379 0.00 . 1 . . . . . 28 ASN H . 27349 1
316 . 1 1 31 31 ASN HA H 1 4.618 0.02 . 1 . . . . . 28 ASN HA . 27349 1
317 . 1 1 31 31 ASN HB2 H 1 2.782 0.00 . 2 . . . . . 28 ASN HB2 . 27349 1
318 . 1 1 31 31 ASN HB3 H 1 3.259 0.01 . 2 . . . . . 28 ASN HB3 . 27349 1
319 . 1 1 31 31 ASN C C 13 176.369 0.00 . 1 . . . . . 28 ASN C . 27349 1
320 . 1 1 31 31 ASN CA C 13 52.541 0.11 . 1 . . . . . 28 ASN CA . 27349 1
321 . 1 1 31 31 ASN CB C 13 37.381 0.01 . 1 . . . . . 28 ASN CB . 27349 1
322 . 1 1 31 31 ASN N N 15 114.139 0.05 . 1 . . . . . 28 ASN N . 27349 1
323 . 1 1 32 32 GLY H H 1 8.159 0.00 . 1 . . . . . 29 GLY H . 27349 1
324 . 1 1 32 32 GLY HA2 H 1 3.580 0.02 . 2 . . . . . 29 GLY HA2 . 27349 1
325 . 1 1 32 32 GLY HA3 H 1 4.321 0.02 . 2 . . . . . 29 GLY HA3 . 27349 1
326 . 1 1 32 32 GLY C C 13 174.523 0.00 . 1 . . . . . 29 GLY C . 27349 1
327 . 1 1 32 32 GLY CA C 13 45.156 0.10 . 1 . . . . . 29 GLY CA . 27349 1
328 . 1 1 32 32 GLY N N 15 107.374 0.02 . 1 . . . . . 29 GLY N . 27349 1
329 . 1 1 33 33 HIS H H 1 8.050 0.02 . 1 . . . . . 30 HIS H . 27349 1
330 . 1 1 33 33 HIS HA H 1 4.677 0.01 . 1 . . . . . 30 HIS HA . 27349 1
331 . 1 1 33 33 HIS HB2 H 1 3.211 0.02 . 2 . . . . . 30 HIS HB2 . 27349 1
332 . 1 1 33 33 HIS HB3 H 1 3.135 0.00 . 2 . . . . . 30 HIS HB3 . 27349 1
333 . 1 1 33 33 HIS HD2 H 1 8.123 0.00 . 1 . . . . . 30 HIS HD2 . 27349 1
334 . 1 1 33 33 HIS HE1 H 1 6.992 0.01 . 1 . . . . . 30 HIS HE1 . 27349 1
335 . 1 1 33 33 HIS C C 13 173.379 0.00 . 1 . . . . . 30 HIS C . 27349 1
336 . 1 1 33 33 HIS CA C 13 55.252 0.11 . 1 . . . . . 30 HIS CA . 27349 1
337 . 1 1 33 33 HIS CB C 13 29.109 0.03 . 1 . . . . . 30 HIS CB . 27349 1
338 . 1 1 33 33 HIS N N 15 118.960 0.03 . 1 . . . . . 30 HIS N . 27349 1
339 . 1 1 34 34 GLU H H 1 8.732 0.00 . 1 . . . . . 31 GLU H . 27349 1
340 . 1 1 34 34 GLU HA H 1 5.379 0.01 . 1 . . . . . 31 GLU HA . 27349 1
341 . 1 1 34 34 GLU HB2 H 1 1.908 0.01 . 2 . . . . . 31 GLU HB2 . 27349 1
342 . 1 1 34 34 GLU HB3 H 1 1.937 0.00 . 2 . . . . . 31 GLU HB3 . 27349 1
343 . 1 1 34 34 GLU HG2 H 1 2.156 0.01 . 2 . . . . . 31 GLU HG2 . 27349 1
344 . 1 1 34 34 GLU HG3 H 1 1.954 0.00 . 2 . . . . . 31 GLU HG3 . 27349 1
345 . 1 1 34 34 GLU C C 13 175.815 0.00 . 1 . . . . . 31 GLU C . 27349 1
346 . 1 1 34 34 GLU CA C 13 54.956 0.11 . 1 . . . . . 31 GLU CA . 27349 1
347 . 1 1 34 34 GLU CB C 13 32.024 0.02 . 1 . . . . . 31 GLU CB . 27349 1
348 . 1 1 34 34 GLU CG C 13 37.244 0.18 . 1 . . . . . 31 GLU CG . 27349 1
349 . 1 1 34 34 GLU N N 15 123.087 0.05 . 1 . . . . . 31 GLU N . 27349 1
350 . 1 1 35 35 ILE H H 1 9.078 0.00 . 1 . . . . . 32 ILE H . 27349 1
351 . 1 1 35 35 ILE HA H 1 4.671 0.01 . 1 . . . . . 32 ILE HA . 27349 1
352 . 1 1 35 35 ILE HB H 1 1.573 0.01 . 1 . . . . . 32 ILE HB . 27349 1
353 . 1 1 35 35 ILE HG12 H 1 1.222 0.03 . 2 . . . . . 32 ILE HG12 . 27349 1
354 . 1 1 35 35 ILE HG13 H 1 1.016 0.02 . 2 . . . . . 32 ILE HG13 . 27349 1
355 . 1 1 35 35 ILE HG21 H 1 0.743 0.00 . 1 . . . . . 32 ILE HG21 . 27349 1
356 . 1 1 35 35 ILE HG22 H 1 0.750 0.00 . 1 . . . . . 32 ILE HG22 . 27349 1
357 . 1 1 35 35 ILE HG23 H 1 0.772 0.02 . 1 . . . . . 32 ILE HG23 . 27349 1
358 . 1 1 35 35 ILE HD11 H 1 0.584 0.00 . 1 . . . . . 32 ILE HD11 . 27349 1
359 . 1 1 35 35 ILE HD12 H 1 0.584 0.00 . 1 . . . . . 32 ILE HD12 . 27349 1
360 . 1 1 35 35 ILE HD13 H 1 0.567 0.01 . 1 . . . . . 32 ILE HD13 . 27349 1
361 . 1 1 35 35 ILE C C 13 174.234 0.00 . 1 . . . . . 32 ILE C . 27349 1
362 . 1 1 35 35 ILE CA C 13 59.202 0.16 . 1 . . . . . 32 ILE CA . 27349 1
363 . 1 1 35 35 ILE CB C 13 42.170 0.00 . 1 . . . . . 32 ILE CB . 27349 1
364 . 1 1 35 35 ILE CG1 C 13 26.362 0.07 . 1 . . . . . 32 ILE CG1 . 27349 1
365 . 1 1 35 35 ILE CG2 C 13 18.076 0.00 . 1 . . . . . 32 ILE CG2 . 27349 1
366 . 1 1 35 35 ILE CD1 C 13 14.939 0.08 . 1 . . . . . 32 ILE CD1 . 27349 1
367 . 1 1 35 35 ILE N N 15 120.817 0.03 . 1 . . . . . 32 ILE N . 27349 1
368 . 1 1 36 36 LEU H H 1 8.101 0.00 . 1 . . . . . 33 LEU H . 27349 1
369 . 1 1 36 36 LEU HA H 1 5.033 0.01 . 1 . . . . . 33 LEU HA . 27349 1
370 . 1 1 36 36 LEU HB2 H 1 1.683 0.02 . 2 . . . . . 33 LEU HB2 . 27349 1
371 . 1 1 36 36 LEU HB3 H 1 1.721 0.01 . 2 . . . . . 33 LEU HB3 . 27349 1
372 . 1 1 36 36 LEU HG H 1 1.554 0.00 . 1 . . . . . 33 LEU HG . 27349 1
373 . 1 1 36 36 LEU HD11 H 1 0.863 0.00 . 2 . . . . . 33 LEU HD11 . 27349 1
374 . 1 1 36 36 LEU HD12 H 1 0.863 0.00 . 2 . . . . . 33 LEU HD11 . 27349 1
375 . 1 1 36 36 LEU HD13 H 1 0.863 0.00 . 2 . . . . . 33 LEU HD11 . 27349 1
376 . 1 1 36 36 LEU HD21 H 1 0.851 0.00 . 2 . . . . . 33 LEU HD21 . 27349 1
377 . 1 1 36 36 LEU HD22 H 1 0.851 0.00 . 2 . . . . . 33 LEU HD21 . 27349 1
378 . 1 1 36 36 LEU HD23 H 1 0.851 0.00 . 2 . . . . . 33 LEU HD21 . 27349 1
379 . 1 1 36 36 LEU C C 13 177.641 0.00 . 1 . . . . . 33 LEU C . 27349 1
380 . 1 1 36 36 LEU CA C 13 54.516 0.14 . 1 . . . . . 33 LEU CA . 27349 1
381 . 1 1 36 36 LEU CB C 13 43.407 0.05 . 1 . . . . . 33 LEU CB . 27349 1
382 . 1 1 36 36 LEU CG C 13 27.411 0.01 . 1 . . . . . 33 LEU CG . 27349 1
383 . 1 1 36 36 LEU CD1 C 13 24.285 0.07 . 2 . . . . . 33 LEU CD1 . 27349 1
384 . 1 1 36 36 LEU CD2 C 13 24.527 0.00 . 2 . . . . . 33 LEU CD2 . 27349 1
385 . 1 1 36 36 LEU N N 15 125.608 0.04 . 1 . . . . . 33 LEU N . 27349 1
386 . 1 1 37 37 CYS H H 1 9.658 0.01 . 1 . . . . . 34 CYS H . 27349 1
387 . 1 1 37 37 CYS HA H 1 5.712 0.02 . 1 . . . . . 34 CYS HA . 27349 1
388 . 1 1 37 37 CYS HB2 H 1 2.758 0.01 . 2 . . . . . 34 CYS HB2 . 27349 1
389 . 1 1 37 37 CYS HB3 H 1 2.788 0.01 . 2 . . . . . 34 CYS HB3 . 27349 1
390 . 1 1 37 37 CYS C C 13 174.226 0.00 . 1 . . . . . 34 CYS C . 27349 1
391 . 1 1 37 37 CYS CA C 13 57.562 0.17 . 1 . . . . . 34 CYS CA . 27349 1
392 . 1 1 37 37 CYS CB C 13 32.827 0.02 . 1 . . . . . 34 CYS CB . 27349 1
393 . 1 1 37 37 CYS N N 15 120.987 0.02 . 1 . . . . . 34 CYS N . 27349 1
394 . 1 1 38 38 HIS H H 1 7.719 0.00 . 1 . . . . . 35 HIS H . 27349 1
395 . 1 1 38 38 HIS HA H 1 5.498 0.02 . 1 . . . . . 35 HIS HA . 27349 1
396 . 1 1 38 38 HIS HB2 H 1 3.439 0.02 . 2 . . . . . 35 HIS HB2 . 27349 1
397 . 1 1 38 38 HIS HB3 H 1 3.475 0.00 . 2 . . . . . 35 HIS HB3 . 27349 1
398 . 1 1 38 38 HIS HD2 H 1 7.356 0.00 . 1 . . . . . 35 HIS HD2 . 27349 1
399 . 1 1 38 38 HIS C C 13 174.755 0.00 . 1 . . . . . 35 HIS C . 27349 1
400 . 1 1 38 38 HIS CA C 13 54.283 0.09 . 1 . . . . . 35 HIS CA . 27349 1
401 . 1 1 38 38 HIS CB C 13 32.143 0.04 . 1 . . . . . 35 HIS CB . 27349 1
402 . 1 1 38 38 HIS N N 15 117.218 0.07 . 1 . . . . . 35 HIS N . 27349 1
403 . 1 1 39 39 ILE H H 1 9.471 0.00 . 1 . . . . . 36 ILE H . 27349 1
404 . 1 1 39 39 ILE HA H 1 4.538 0.02 . 1 . . . . . 36 ILE HA . 27349 1
405 . 1 1 39 39 ILE HB H 1 1.973 0.02 . 1 . . . . . 36 ILE HB . 27349 1
406 . 1 1 39 39 ILE HG12 H 1 1.683 0.01 . 2 . . . . . 36 ILE HG12 . 27349 1
407 . 1 1 39 39 ILE HG13 H 1 1.291 0.02 . 2 . . . . . 36 ILE HG13 . 27349 1
408 . 1 1 39 39 ILE HG21 H 1 1.042 0.00 . 1 . . . . . 36 ILE HG21 . 27349 1
409 . 1 1 39 39 ILE HG22 H 1 1.036 0.00 . 1 . . . . . 36 ILE HG22 . 27349 1
410 . 1 1 39 39 ILE HG23 H 1 1.065 0.02 . 1 . . . . . 36 ILE HG23 . 27349 1
411 . 1 1 39 39 ILE HD11 H 1 0.857 0.00 . 1 . . . . . 36 ILE HD11 . 27349 1
412 . 1 1 39 39 ILE HD12 H 1 0.861 0.00 . 1 . . . . . 36 ILE HD12 . 27349 1
413 . 1 1 39 39 ILE HD13 H 1 0.861 0.00 . 1 . . . . . 36 ILE HD13 . 27349 1
414 . 1 1 39 39 ILE C C 13 175.758 0.00 . 1 . . . . . 36 ILE C . 27349 1
415 . 1 1 39 39 ILE CA C 13 61.571 0.15 . 1 . . . . . 36 ILE CA . 27349 1
416 . 1 1 39 39 ILE CB C 13 39.721 0.06 . 1 . . . . . 36 ILE CB . 27349 1
417 . 1 1 39 39 ILE CG1 C 13 27.289 0.04 . 1 . . . . . 36 ILE CG1 . 27349 1
418 . 1 1 39 39 ILE CG2 C 13 18.596 0.00 . 1 . . . . . 36 ILE CG2 . 27349 1
419 . 1 1 39 39 ILE CD1 C 13 13.996 0.04 . 1 . . . . . 36 ILE CD1 . 27349 1
420 . 1 1 39 39 ILE N N 15 119.502 0.02 . 1 . . . . . 36 ILE N . 27349 1
421 . 1 1 40 40 SER H H 1 8.377 0.00 . 1 . . . . . 37 SER H . 27349 1
422 . 1 1 40 40 SER HA H 1 4.518 0.02 . 1 . . . . . 37 SER HA . 27349 1
423 . 1 1 40 40 SER HB2 H 1 3.923 0.03 . 2 . . . . . 37 SER HB2 . 27349 1
424 . 1 1 40 40 SER HB3 H 1 4.192 0.01 . 2 . . . . . 37 SER HB3 . 27349 1
425 . 1 1 40 40 SER C C 13 174.988 0.00 . 1 . . . . . 37 SER C . 27349 1
426 . 1 1 40 40 SER CA C 13 58.087 0.15 . 1 . . . . . 37 SER CA . 27349 1
427 . 1 1 40 40 SER CB C 13 64.796 0.00 . 1 . . . . . 37 SER CB . 27349 1
428 . 1 1 40 40 SER N N 15 119.849 0.03 . 1 . . . . . 37 SER N . 27349 1
429 . 1 1 41 41 GLY H H 1 9.063 0.00 . 1 . . . . . 38 GLY H . 27349 1
430 . 1 1 41 41 GLY HA2 H 1 3.902 0.03 . 2 . . . . . 38 GLY HA2 . 27349 1
431 . 1 1 41 41 GLY HA3 H 1 4.046 0.02 . 2 . . . . . 38 GLY HA3 . 27349 1
432 . 1 1 41 41 GLY C C 13 175.780 0.00 . 1 . . . . . 38 GLY C . 27349 1
433 . 1 1 41 41 GLY CA C 13 47.001 0.08 . 1 . . . . . 38 GLY CA . 27349 1
434 . 1 1 41 41 GLY N N 15 112.521 0.02 . 1 . . . . . 38 GLY N . 27349 1
435 . 1 1 42 42 LYS H H 1 8.250 0.01 . 1 . . . . . 39 LYS H . 27349 1
436 . 1 1 42 42 LYS HA H 1 4.132 0.02 . 1 . . . . . 39 LYS HA . 27349 1
437 . 1 1 42 42 LYS HB2 H 1 1.882 0.00 . 2 . . . . . 39 LYS HB2 . 27349 1
438 . 1 1 42 42 LYS HB3 H 1 1.903 0.00 . 2 . . . . . 39 LYS HB3 . 27349 1
439 . 1 1 42 42 LYS HG2 H 1 1.493 0.00 . 2 . . . . . 39 LYS HG2 . 27349 1
440 . 1 1 42 42 LYS C C 13 178.230 0.00 . 1 . . . . . 39 LYS C . 27349 1
441 . 1 1 42 42 LYS CA C 13 58.671 0.13 . 1 . . . . . 39 LYS CA . 27349 1
442 . 1 1 42 42 LYS CB C 13 32.406 0.03 . 1 . . . . . 39 LYS CB . 27349 1
443 . 1 1 42 42 LYS CG C 13 25.292 0.00 . 1 . . . . . 39 LYS CG . 27349 1
444 . 1 1 42 42 LYS CD C 13 29.240 0.00 . 1 . . . . . 39 LYS CD . 27349 1
445 . 1 1 42 42 LYS N N 15 120.652 0.04 . 1 . . . . . 39 LYS N . 27349 1
446 . 1 1 43 43 LEU H H 1 7.572 0.00 . 1 . . . . . 40 LEU H . 27349 1
447 . 1 1 43 43 LEU HA H 1 4.184 0.01 . 1 . . . . . 40 LEU HA . 27349 1
448 . 1 1 43 43 LEU HB2 H 1 1.513 0.02 . 2 . . . . . 40 LEU HB2 . 27349 1
449 . 1 1 43 43 LEU HB3 H 1 1.786 0.01 . 2 . . . . . 40 LEU HB3 . 27349 1
450 . 1 1 43 43 LEU HG H 1 1.616 0.02 . 1 . . . . . 40 LEU HG . 27349 1
451 . 1 1 43 43 LEU HD11 H 1 0.763 0.00 . 2 . . . . . 40 LEU HD11 . 27349 1
452 . 1 1 43 43 LEU HD12 H 1 0.763 0.00 . 2 . . . . . 40 LEU HD11 . 27349 1
453 . 1 1 43 43 LEU HD13 H 1 0.763 0.00 . 2 . . . . . 40 LEU HD11 . 27349 1
454 . 1 1 43 43 LEU HD21 H 1 0.779 0.02 . 2 . . . . . 40 LEU HD21 . 27349 1
455 . 1 1 43 43 LEU HD22 H 1 0.779 0.02 . 2 . . . . . 40 LEU HD21 . 27349 1
456 . 1 1 43 43 LEU HD23 H 1 0.779 0.02 . 2 . . . . . 40 LEU HD21 . 27349 1
457 . 1 1 43 43 LEU C C 13 178.383 0.00 . 1 . . . . . 40 LEU C . 27349 1
458 . 1 1 43 43 LEU CA C 13 56.903 0.17 . 1 . . . . . 40 LEU CA . 27349 1
459 . 1 1 43 43 LEU CB C 13 41.593 0.07 . 1 . . . . . 40 LEU CB . 27349 1
460 . 1 1 43 43 LEU CG C 13 27.678 0.00 . 1 . . . . . 40 LEU CG . 27349 1
461 . 1 1 43 43 LEU CD1 C 13 25.288 0.04 . 2 . . . . . 40 LEU CD1 . 27349 1
462 . 1 1 43 43 LEU CD2 C 13 23.953 0.03 . 2 . . . . . 40 LEU CD2 . 27349 1
463 . 1 1 43 43 LEU N N 15 119.397 0.07 . 1 . . . . . 40 LEU N . 27349 1
464 . 1 1 44 44 ARG H H 1 7.961 0.00 . 1 . . . . . 41 ARG H . 27349 1
465 . 1 1 44 44 ARG HA H 1 4.109 0.02 . 1 . . . . . 41 ARG HA . 27349 1
466 . 1 1 44 44 ARG HB2 H 1 1.917 0.00 . 2 . . . . . 41 ARG HB2 . 27349 1
467 . 1 1 44 44 ARG HB3 H 1 1.907 0.01 . 2 . . . . . 41 ARG HB3 . 27349 1
468 . 1 1 44 44 ARG HG2 H 1 1.685 0.00 . 2 . . . . . 41 ARG HG2 . 27349 1
469 . 1 1 44 44 ARG HD2 H 1 3.281 0.00 . 2 . . . . . 41 ARG HD2 . 27349 1
470 . 1 1 44 44 ARG C C 13 178.727 0.00 . 1 . . . . . 41 ARG C . 27349 1
471 . 1 1 44 44 ARG CA C 13 58.365 0.09 . 1 . . . . . 41 ARG CA . 27349 1
472 . 1 1 44 44 ARG CB C 13 30.106 0.01 . 1 . . . . . 41 ARG CB . 27349 1
473 . 1 1 44 44 ARG CG C 13 27.489 0.00 . 1 . . . . . 41 ARG CG . 27349 1
474 . 1 1 44 44 ARG CD C 13 43.751 0.00 . 1 . . . . . 41 ARG CD . 27349 1
475 . 1 1 44 44 ARG N N 15 119.609 0.02 . 1 . . . . . 41 ARG N . 27349 1
476 . 1 1 45 45 MET H H 1 8.146 0.00 . 1 . . . . . 42 MET H . 27349 1
477 . 1 1 45 45 MET HA H 1 4.187 0.01 . 1 . . . . . 42 MET HA . 27349 1
478 . 1 1 45 45 MET HB2 H 1 2.133 0.06 . 2 . . . . . 42 MET HB2 . 27349 1
479 . 1 1 45 45 MET HB3 H 1 2.622 0.01 . 2 . . . . . 42 MET HB3 . 27349 1
480 . 1 1 45 45 MET HE1 H 1 2.050 0.01 . 1 . . . . . 42 MET HE1 . 27349 1
481 . 1 1 45 45 MET HE2 H 1 2.050 0.01 . 1 . . . . . 42 MET HE1 . 27349 1
482 . 1 1 45 45 MET HE3 H 1 2.050 0.01 . 1 . . . . . 42 MET HE1 . 27349 1
483 . 1 1 45 45 MET C C 13 175.823 0.00 . 1 . . . . . 42 MET C . 27349 1
484 . 1 1 45 45 MET CA C 13 56.779 0.11 . 1 . . . . . 42 MET CA . 27349 1
485 . 1 1 45 45 MET CB C 13 32.200 0.07 . 1 . . . . . 42 MET CB . 27349 1
486 . 1 1 45 45 MET CE C 13 16.700 0.12 . 1 . . . . . 42 MET CE . 27349 1
487 . 1 1 45 45 MET N N 15 118.083 0.02 . 1 . . . . . 42 MET N . 27349 1
488 . 1 1 46 46 ASN H H 1 7.602 0.00 . 1 . . . . . 43 ASN H . 27349 1
489 . 1 1 46 46 ASN HA H 1 4.674 0.01 . 1 . . . . . 43 ASN HA . 27349 1
490 . 1 1 46 46 ASN HB2 H 1 2.623 0.02 . 2 . . . . . 43 ASN HB2 . 27349 1
491 . 1 1 46 46 ASN HB3 H 1 2.823 0.01 . 2 . . . . . 43 ASN HB3 . 27349 1
492 . 1 1 46 46 ASN C C 13 174.174 0.00 . 1 . . . . . 43 ASN C . 27349 1
493 . 1 1 46 46 ASN CA C 13 53.170 0.10 . 1 . . . . . 43 ASN CA . 27349 1
494 . 1 1 46 46 ASN CB C 13 39.116 0.07 . 1 . . . . . 43 ASN CB . 27349 1
495 . 1 1 46 46 ASN N N 15 116.104 0.11 . 1 . . . . . 43 ASN N . 27349 1
496 . 1 1 47 47 PHE H H 1 7.730 0.00 . 1 . . . . . 44 PHE H . 27349 1
497 . 1 1 47 47 PHE HA H 1 4.341 0.02 . 1 . . . . . 44 PHE HA . 27349 1
498 . 1 1 47 47 PHE HB2 H 1 3.185 0.01 . 2 . . . . . 44 PHE HB2 . 27349 1
499 . 1 1 47 47 PHE HB3 H 1 3.164 0.02 . 2 . . . . . 44 PHE HB3 . 27349 1
500 . 1 1 47 47 PHE HD1 H 1 7.184 0.00 . 3 . . . . . 44 PHE HD1 . 27349 1
501 . 1 1 47 47 PHE HD2 H 1 7.187 0.00 . 3 . . . . . 44 PHE HD2 . 27349 1
502 . 1 1 47 47 PHE HE1 H 1 7.295 0.03 . 3 . . . . . 44 PHE HE1 . 27349 1
503 . 1 1 47 47 PHE HE2 H 1 7.326 0.00 . 3 . . . . . 44 PHE HE2 . 27349 1
504 . 1 1 47 47 PHE HZ H 1 7.321 0.00 . 1 . . . . . 44 PHE HZ . 27349 1
505 . 1 1 47 47 PHE C C 13 175.123 0.00 . 1 . . . . . 44 PHE C . 27349 1
506 . 1 1 47 47 PHE CA C 13 58.498 0.19 . 1 . . . . . 44 PHE CA . 27349 1
507 . 1 1 47 47 PHE CB C 13 37.230 0.05 . 1 . . . . . 44 PHE CB . 27349 1
508 . 1 1 47 47 PHE N N 15 116.765 0.05 . 1 . . . . . 44 PHE N . 27349 1
509 . 1 1 48 48 ILE H H 1 7.578 0.00 . 1 . . . . . 45 ILE H . 27349 1
510 . 1 1 48 48 ILE HA H 1 4.002 0.01 . 1 . . . . . 45 ILE HA . 27349 1
511 . 1 1 48 48 ILE HB H 1 1.724 0.01 . 1 . . . . . 45 ILE HB . 27349 1
512 . 1 1 48 48 ILE HG12 H 1 1.374 0.01 . 2 . . . . . 45 ILE HG12 . 27349 1
513 . 1 1 48 48 ILE HG13 H 1 1.167 0.01 . 2 . . . . . 45 ILE HG13 . 27349 1
514 . 1 1 48 48 ILE HG21 H 1 0.705 0.00 . 1 . . . . . 45 ILE HG21 . 27349 1
515 . 1 1 48 48 ILE HG22 H 1 0.705 0.00 . 1 . . . . . 45 ILE HG22 . 27349 1
516 . 1 1 48 48 ILE HG23 H 1 0.707 0.00 . 1 . . . . . 45 ILE HG23 . 27349 1
517 . 1 1 48 48 ILE HD11 H 1 0.731 0.01 . 1 . . . . . 45 ILE HD11 . 27349 1
518 . 1 1 48 48 ILE HD12 H 1 0.757 0.01 . 1 . . . . . 45 ILE HD12 . 27349 1
519 . 1 1 48 48 ILE HD13 H 1 0.757 0.01 . 1 . . . . . 45 ILE HD12 . 27349 1
520 . 1 1 48 48 ILE C C 13 174.958 0.00 . 1 . . . . . 45 ILE C . 27349 1
521 . 1 1 48 48 ILE CA C 13 60.445 0.13 . 1 . . . . . 45 ILE CA . 27349 1
522 . 1 1 48 48 ILE CB C 13 37.882 0.04 . 1 . . . . . 45 ILE CB . 27349 1
523 . 1 1 48 48 ILE CG1 C 13 27.488 0.02 . 1 . . . . . 45 ILE CG1 . 27349 1
524 . 1 1 48 48 ILE CG2 C 13 17.195 0.02 . 1 . . . . . 45 ILE CG2 . 27349 1
525 . 1 1 48 48 ILE CD1 C 13 12.065 0.00 . 1 . . . . . 45 ILE CD1 . 27349 1
526 . 1 1 48 48 ILE N N 15 120.122 0.06 . 1 . . . . . 45 ILE N . 27349 1
527 . 1 1 49 49 ARG H H 1 8.268 0.01 . 1 . . . . . 46 ARG H . 27349 1
528 . 1 1 49 49 ARG HA H 1 4.438 0.01 . 1 . . . . . 46 ARG HA . 27349 1
529 . 1 1 49 49 ARG HB2 H 1 1.748 0.00 . 2 . . . . . 46 ARG HB2 . 27349 1
530 . 1 1 49 49 ARG HB3 H 1 1.732 0.01 . 2 . . . . . 46 ARG HB3 . 27349 1
531 . 1 1 49 49 ARG C C 13 174.895 0.00 . 1 . . . . . 46 ARG C . 27349 1
532 . 1 1 49 49 ARG CA C 13 55.320 0.03 . 1 . . . . . 46 ARG CA . 27349 1
533 . 1 1 49 49 ARG CB C 13 30.762 0.01 . 1 . . . . . 46 ARG CB . 27349 1
534 . 1 1 49 49 ARG CG C 13 26.864 0.00 . 1 . . . . . 46 ARG CG . 27349 1
535 . 1 1 49 49 ARG CD C 13 43.420 0.00 . 1 . . . . . 46 ARG CD . 27349 1
536 . 1 1 49 49 ARG N N 15 126.638 0.03 . 1 . . . . . 46 ARG N . 27349 1
537 . 1 1 50 50 ILE H H 1 8.231 0.01 . 1 . . . . . 47 ILE H . 27349 1
538 . 1 1 50 50 ILE HA H 1 4.032 0.01 . 1 . . . . . 47 ILE HA . 27349 1
539 . 1 1 50 50 ILE HB H 1 1.425 0.01 . 1 . . . . . 47 ILE HB . 27349 1
540 . 1 1 50 50 ILE HG12 H 1 1.045 0.00 . 2 . . . . . 47 ILE HG12 . 27349 1
541 . 1 1 50 50 ILE HG13 H 1 0.876 0.01 . 2 . . . . . 47 ILE HG13 . 27349 1
542 . 1 1 50 50 ILE HG21 H 1 0.200 0.00 . 1 . . . . . 47 ILE HG21 . 27349 1
543 . 1 1 50 50 ILE HG22 H 1 0.198 0.01 . 1 . . . . . 47 ILE HG22 . 27349 1
544 . 1 1 50 50 ILE HG23 H 1 0.229 0.03 . 1 . . . . . 47 ILE HG23 . 27349 1
545 . 1 1 50 50 ILE HD11 H 1 0.351 0.00 . 1 . . . . . 47 ILE HD11 . 27349 1
546 . 1 1 50 50 ILE HD12 H 1 0.344 0.00 . 1 . . . . . 47 ILE HD12 . 27349 1
547 . 1 1 50 50 ILE HD13 H 1 0.347 0.00 . 1 . . . . . 47 ILE HD13 . 27349 1
548 . 1 1 50 50 ILE C C 13 173.687 0.00 . 1 . . . . . 47 ILE C . 27349 1
549 . 1 1 50 50 ILE CA C 13 59.835 0.19 . 1 . . . . . 47 ILE CA . 27349 1
550 . 1 1 50 50 ILE CB C 13 37.181 0.02 . 1 . . . . . 47 ILE CB . 27349 1
551 . 1 1 50 50 ILE CG1 C 13 27.482 0.00 . 1 . . . . . 47 ILE CG1 . 27349 1
552 . 1 1 50 50 ILE CG2 C 13 18.701 0.01 . 1 . . . . . 47 ILE CG2 . 27349 1
553 . 1 1 50 50 ILE CD1 C 13 11.815 0.01 . 1 . . . . . 47 ILE CD1 . 27349 1
554 . 1 1 50 50 ILE N N 15 126.328 0.06 . 1 . . . . . 47 ILE N . 27349 1
555 . 1 1 51 51 LEU H H 1 8.736 0.00 . 1 . . . . . 48 LEU H . 27349 1
556 . 1 1 51 51 LEU HA H 1 4.644 0.01 . 1 . . . . . 48 LEU HA . 27349 1
557 . 1 1 51 51 LEU HB2 H 1 1.507 0.01 . 2 . . . . . 48 LEU HB2 . 27349 1
558 . 1 1 51 51 LEU HB3 H 1 1.593 0.01 . 2 . . . . . 48 LEU HB3 . 27349 1
559 . 1 1 51 51 LEU HG H 1 1.452 0.00 . 1 . . . . . 48 LEU HG . 27349 1
560 . 1 1 51 51 LEU HD11 H 1 0.830 0.01 . 2 . . . . . 48 LEU HD11 . 27349 1
561 . 1 1 51 51 LEU HD12 H 1 0.830 0.01 . 2 . . . . . 48 LEU HD11 . 27349 1
562 . 1 1 51 51 LEU HD13 H 1 0.830 0.01 . 2 . . . . . 48 LEU HD11 . 27349 1
563 . 1 1 51 51 LEU HD21 H 1 0.853 0.02 . 2 . . . . . 48 LEU HD21 . 27349 1
564 . 1 1 51 51 LEU HD22 H 1 0.853 0.02 . 2 . . . . . 48 LEU HD21 . 27349 1
565 . 1 1 51 51 LEU HD23 H 1 0.853 0.02 . 2 . . . . . 48 LEU HD21 . 27349 1
566 . 1 1 51 51 LEU C C 13 177.076 0.00 . 1 . . . . . 48 LEU C . 27349 1
567 . 1 1 51 51 LEU CA C 13 52.523 0.13 . 1 . . . . . 48 LEU CA . 27349 1
568 . 1 1 51 51 LEU CB C 13 45.098 0.09 . 1 . . . . . 48 LEU CB . 27349 1
569 . 1 1 51 51 LEU CG C 13 25.022 0.09 . 1 . . . . . 48 LEU CG . 27349 1
570 . 1 1 51 51 LEU CD1 C 13 23.057 0.03 . 2 . . . . . 48 LEU CD1 . 27349 1
571 . 1 1 51 51 LEU CD2 C 13 25.316 0.06 . 2 . . . . . 48 LEU CD2 . 27349 1
572 . 1 1 51 51 LEU N N 15 127.701 0.06 . 1 . . . . . 48 LEU N . 27349 1
573 . 1 1 52 52 GLU H H 1 8.722 0.01 . 1 . . . . . 49 GLU H . 27349 1
574 . 1 1 52 52 GLU HA H 1 3.589 0.02 . 1 . . . . . 49 GLU HA . 27349 1
575 . 1 1 52 52 GLU HB2 H 1 1.935 0.03 . 2 . . . . . 49 GLU HB2 . 27349 1
576 . 1 1 52 52 GLU HB3 H 1 1.985 0.00 . 2 . . . . . 49 GLU HB3 . 27349 1
577 . 1 1 52 52 GLU C C 13 177.225 0.00 . 1 . . . . . 49 GLU C . 27349 1
578 . 1 1 52 52 GLU CA C 13 58.809 0.09 . 1 . . . . . 49 GLU CA . 27349 1
579 . 1 1 52 52 GLU CB C 13 28.515 0.05 . 1 . . . . . 49 GLU CB . 27349 1
580 . 1 1 52 52 GLU CG C 13 36.427 0.00 . 1 . . . . . 49 GLU CG . 27349 1
581 . 1 1 52 52 GLU N N 15 119.154 0.05 . 1 . . . . . 49 GLU N . 27349 1
582 . 1 1 53 53 GLY H H 1 9.210 0.00 . 1 . . . . . 50 GLY H . 27349 1
583 . 1 1 53 53 GLY HA2 H 1 3.476 0.01 . 2 . . . . . 50 GLY HA2 . 27349 1
584 . 1 1 53 53 GLY HA3 H 1 4.433 0.03 . 2 . . . . . 50 GLY HA3 . 27349 1
585 . 1 1 53 53 GLY C C 13 174.371 0.00 . 1 . . . . . 50 GLY C . 27349 1
586 . 1 1 53 53 GLY CA C 13 44.670 0.06 . 1 . . . . . 50 GLY CA . 27349 1
587 . 1 1 53 53 GLY N N 15 113.965 0.02 . 1 . . . . . 50 GLY N . 27349 1
588 . 1 1 54 54 ASP H H 1 8.088 0.00 . 1 . . . . . 51 ASP H . 27349 1
589 . 1 1 54 54 ASP HA H 1 4.542 0.02 . 1 . . . . . 51 ASP HA . 27349 1
590 . 1 1 54 54 ASP HB2 H 1 2.319 0.01 . 2 . . . . . 51 ASP HB2 . 27349 1
591 . 1 1 54 54 ASP HB3 H 1 2.793 0.01 . 2 . . . . . 51 ASP HB3 . 27349 1
592 . 1 1 54 54 ASP C C 13 175.743 0.00 . 1 . . . . . 51 ASP C . 27349 1
593 . 1 1 54 54 ASP CA C 13 55.401 0.14 . 1 . . . . . 51 ASP CA . 27349 1
594 . 1 1 54 54 ASP CB C 13 41.069 0.06 . 1 . . . . . 51 ASP CB . 27349 1
595 . 1 1 54 54 ASP N N 15 121.375 0.02 . 1 . . . . . 51 ASP N . 27349 1
596 . 1 1 55 55 LYS H H 1 8.616 0.00 . 1 . . . . . 52 LYS H . 27349 1
597 . 1 1 55 55 LYS HA H 1 5.122 0.01 . 1 . . . . . 52 LYS HA . 27349 1
598 . 1 1 55 55 LYS HB2 H 1 1.776 0.02 . 2 . . . . . 52 LYS HB2 . 27349 1
599 . 1 1 55 55 LYS HB3 H 1 1.808 0.00 . 2 . . . . . 52 LYS HB3 . 27349 1
600 . 1 1 55 55 LYS HG2 H 1 1.549 0.01 . 2 . . . . . 52 LYS HG2 . 27349 1
601 . 1 1 55 55 LYS C C 13 176.554 0.00 . 1 . . . . . 52 LYS C . 27349 1
602 . 1 1 55 55 LYS CA C 13 54.787 0.20 . 1 . . . . . 52 LYS CA . 27349 1
603 . 1 1 55 55 LYS CB C 13 32.635 0.01 . 1 . . . . . 52 LYS CB . 27349 1
604 . 1 1 55 55 LYS CG C 13 24.461 0.00 . 1 . . . . . 52 LYS CG . 27349 1
605 . 1 1 55 55 LYS N N 15 121.499 0.05 . 1 . . . . . 52 LYS N . 27349 1
606 . 1 1 56 56 VAL H H 1 8.860 0.00 . 1 . . . . . 53 VAL H . 27349 1
607 . 1 1 56 56 VAL HA H 1 5.049 0.02 . 1 . . . . . 53 VAL HA . 27349 1
608 . 1 1 56 56 VAL HB H 1 2.176 0.02 . 1 . . . . . 53 VAL HB . 27349 1
609 . 1 1 56 56 VAL HG11 H 1 0.445 0.03 . 2 . . . . . 53 VAL HG11 . 27349 1
610 . 1 1 56 56 VAL HG12 H 1 0.399 0.01 . 2 . . . . . 53 VAL HG12 . 27349 1
611 . 1 1 56 56 VAL HG13 H 1 0.405 0.00 . 2 . . . . . 53 VAL HG13 . 27349 1
612 . 1 1 56 56 VAL HG21 H 1 0.626 0.02 . 2 . . . . . 53 VAL HG21 . 27349 1
613 . 1 1 56 56 VAL HG22 H 1 0.626 0.02 . 2 . . . . . 53 VAL HG21 . 27349 1
614 . 1 1 56 56 VAL HG23 H 1 0.626 0.02 . 2 . . . . . 53 VAL HG21 . 27349 1
615 . 1 1 56 56 VAL C C 13 174.066 0.00 . 1 . . . . . 53 VAL C . 27349 1
616 . 1 1 56 56 VAL CA C 13 58.055 0.14 . 1 . . . . . 53 VAL CA . 27349 1
617 . 1 1 56 56 VAL CB C 13 35.904 0.04 . 1 . . . . . 53 VAL CB . 27349 1
618 . 1 1 56 56 VAL CG1 C 13 18.095 0.05 . 2 . . . . . 53 VAL CG1 . 27349 1
619 . 1 1 56 56 VAL CG2 C 13 22.501 0.04 . 2 . . . . . 53 VAL CG2 . 27349 1
620 . 1 1 56 56 VAL N N 15 114.740 0.04 . 1 . . . . . 53 VAL N . 27349 1
621 . 1 1 57 57 ASN H H 1 8.174 0.01 . 1 . . . . . 54 ASN H . 27349 1
622 . 1 1 57 57 ASN HA H 1 5.080 0.01 . 1 . . . . . 54 ASN HA . 27349 1
623 . 1 1 57 57 ASN HB2 H 1 1.918 0.03 . 2 . . . . . 54 ASN HB2 . 27349 1
624 . 1 1 57 57 ASN HB3 H 1 2.223 0.01 . 2 . . . . . 54 ASN HB3 . 27349 1
625 . 1 1 57 57 ASN HD21 H 1 6.827 0.00 . 2 . . . . . 54 ASN HD21 . 27349 1
626 . 1 1 57 57 ASN HD22 H 1 6.924 0.00 . 2 . . . . . 54 ASN HD22 . 27349 1
627 . 1 1 57 57 ASN C C 13 174.136 0.00 . 1 . . . . . 54 ASN C . 27349 1
628 . 1 1 57 57 ASN CA C 13 52.785 0.12 . 1 . . . . . 54 ASN CA . 27349 1
629 . 1 1 57 57 ASN CB C 13 40.882 0.10 . 1 . . . . . 54 ASN CB . 27349 1
630 . 1 1 57 57 ASN N N 15 119.010 0.02 . 1 . . . . . 54 ASN N . 27349 1
631 . 1 1 57 57 ASN ND2 N 15 111.125 0.00 . 1 . . . . . 54 ASN ND2 . 27349 1
632 . 1 1 58 58 VAL H H 1 9.169 0.00 . 1 . . . . . 55 VAL H . 27349 1
633 . 1 1 58 58 VAL HA H 1 4.815 0.01 . 1 . . . . . 55 VAL HA . 27349 1
634 . 1 1 58 58 VAL HB H 1 1.759 0.01 . 1 . . . . . 55 VAL HB . 27349 1
635 . 1 1 58 58 VAL HG11 H 1 0.710 0.02 . 2 . . . . . 55 VAL HG11 . 27349 1
636 . 1 1 58 58 VAL HG12 H 1 0.710 0.02 . 2 . . . . . 55 VAL HG11 . 27349 1
637 . 1 1 58 58 VAL HG13 H 1 0.710 0.02 . 2 . . . . . 55 VAL HG11 . 27349 1
638 . 1 1 58 58 VAL HG21 H 1 0.643 0.02 . 2 . . . . . 55 VAL HG21 . 27349 1
639 . 1 1 58 58 VAL HG22 H 1 0.643 0.02 . 2 . . . . . 55 VAL HG21 . 27349 1
640 . 1 1 58 58 VAL HG23 H 1 0.643 0.02 . 2 . . . . . 55 VAL HG21 . 27349 1
641 . 1 1 58 58 VAL C C 13 173.698 0.00 . 1 . . . . . 55 VAL C . 27349 1
642 . 1 1 58 58 VAL CA C 13 59.804 0.14 . 1 . . . . . 55 VAL CA . 27349 1
643 . 1 1 58 58 VAL CB C 13 34.758 0.10 . 1 . . . . . 55 VAL CB . 27349 1
644 . 1 1 58 58 VAL CG1 C 13 23.069 0.05 . 2 . . . . . 55 VAL CG1 . 27349 1
645 . 1 1 58 58 VAL CG2 C 13 22.066 0.12 . 2 . . . . . 55 VAL CG2 . 27349 1
646 . 1 1 58 58 VAL N N 15 123.178 0.04 . 1 . . . . . 55 VAL N . 27349 1
647 . 1 1 59 59 GLU H H 1 9.031 0.00 . 1 . . . . . 56 GLU H . 27349 1
648 . 1 1 59 59 GLU HA H 1 5.221 0.02 . 1 . . . . . 56 GLU HA . 27349 1
649 . 1 1 59 59 GLU HB2 H 1 1.963 0.00 . 2 . . . . . 56 GLU HB2 . 27349 1
650 . 1 1 59 59 GLU HB3 H 1 1.968 0.00 . 2 . . . . . 56 GLU HB3 . 27349 1
651 . 1 1 59 59 GLU HG2 H 1 2.298 0.00 . 2 . . . . . 56 GLU HG2 . 27349 1
652 . 1 1 59 59 GLU C C 13 176.494 0.00 . 1 . . . . . 56 GLU C . 27349 1
653 . 1 1 59 59 GLU CA C 13 54.333 0.14 . 1 . . . . . 56 GLU CA . 27349 1
654 . 1 1 59 59 GLU CB C 13 32.832 0.02 . 1 . . . . . 56 GLU CB . 27349 1
655 . 1 1 59 59 GLU CG C 13 37.042 0.00 . 1 . . . . . 56 GLU CG . 27349 1
656 . 1 1 59 59 GLU N N 15 124.201 0.02 . 1 . . . . . 56 GLU N . 27349 1
657 . 1 1 60 60 LEU H H 1 9.146 0.00 . 1 . . . . . 57 LEU H . 27349 1
658 . 1 1 60 60 LEU HA H 1 4.809 0.02 . 1 . . . . . 57 LEU HA . 27349 1
659 . 1 1 60 60 LEU HB2 H 1 1.520 0.01 . 2 . . . . . 57 LEU HB2 . 27349 1
660 . 1 1 60 60 LEU HB3 H 1 1.756 0.02 . 2 . . . . . 57 LEU HB3 . 27349 1
661 . 1 1 60 60 LEU HG H 1 1.558 0.01 . 1 . . . . . 57 LEU HG . 27349 1
662 . 1 1 60 60 LEU HD11 H 1 0.784 0.01 . 2 . . . . . 57 LEU HD11 . 27349 1
663 . 1 1 60 60 LEU HD12 H 1 0.784 0.01 . 2 . . . . . 57 LEU HD11 . 27349 1
664 . 1 1 60 60 LEU HD13 H 1 0.784 0.01 . 2 . . . . . 57 LEU HD11 . 27349 1
665 . 1 1 60 60 LEU HD21 H 1 0.748 0.01 . 2 . . . . . 57 LEU HD21 . 27349 1
666 . 1 1 60 60 LEU HD22 H 1 0.748 0.01 . 2 . . . . . 57 LEU HD21 . 27349 1
667 . 1 1 60 60 LEU HD23 H 1 0.748 0.01 . 2 . . . . . 57 LEU HD21 . 27349 1
668 . 1 1 60 60 LEU C C 13 175.945 0.00 . 1 . . . . . 57 LEU C . 27349 1
669 . 1 1 60 60 LEU CA C 13 54.680 0.09 . 1 . . . . . 57 LEU CA . 27349 1
670 . 1 1 60 60 LEU CB C 13 44.090 0.06 . 1 . . . . . 57 LEU CB . 27349 1
671 . 1 1 60 60 LEU CG C 13 27.723 0.04 . 1 . . . . . 57 LEU CG . 27349 1
672 . 1 1 60 60 LEU CD2 C 13 26.212 0.15 . 2 . . . . . 57 LEU CD2 . 27349 1
673 . 1 1 60 60 LEU N N 15 125.960 0.04 . 1 . . . . . 57 LEU N . 27349 1
674 . 1 1 61 61 SER H H 1 9.050 0.00 . 1 . . . . . 58 SER H . 27349 1
675 . 1 1 61 61 SER HA H 1 4.500 0.00 . 1 . . . . . 58 SER HA . 27349 1
676 . 1 1 61 61 SER HB2 H 1 3.917 0.06 . 2 . . . . . 58 SER HB2 . 27349 1
677 . 1 1 61 61 SER HB3 H 1 4.163 0.02 . 2 . . . . . 58 SER HB3 . 27349 1
678 . 1 1 61 61 SER CA C 13 55.229 0.06 . 1 . . . . . 58 SER CA . 27349 1
679 . 1 1 61 61 SER CB C 13 64.476 0.06 . 1 . . . . . 58 SER CB . 27349 1
680 . 1 1 61 61 SER N N 15 117.251 0.03 . 1 . . . . . 58 SER N . 27349 1
681 . 1 1 62 62 PRO HA H 1 4.115 0.01 . 1 . . . . . 59 PRO HA . 27349 1
682 . 1 1 62 62 PRO HB2 H 1 1.518 0.02 . 2 . . . . . 59 PRO HB2 . 27349 1
683 . 1 1 62 62 PRO HB3 H 1 2.111 0.02 . 2 . . . . . 59 PRO HB3 . 27349 1
684 . 1 1 62 62 PRO HG2 H 1 1.837 0.00 . 2 . . . . . 59 PRO HG2 . 27349 1
685 . 1 1 62 62 PRO HG3 H 1 1.842 0.00 . 2 . . . . . 59 PRO HG3 . 27349 1
686 . 1 1 62 62 PRO HD3 H 1 3.746 0.00 . 2 . . . . . 59 PRO HD3 . 27349 1
687 . 1 1 62 62 PRO CA C 13 63.836 0.06 . 1 . . . . . 59 PRO CA . 27349 1
688 . 1 1 62 62 PRO CB C 13 31.716 0.00 . 1 . . . . . 59 PRO CB . 27349 1
689 . 1 1 62 62 PRO CG C 13 27.361 0.00 . 1 . . . . . 59 PRO CG . 27349 1
690 . 1 1 63 63 TYR H H 1 7.345 0.00 . 1 . . . . . 60 TYR H . 27349 1
691 . 1 1 63 63 TYR HA H 1 4.502 0.02 . 1 . . . . . 60 TYR HA . 27349 1
692 . 1 1 63 63 TYR HB2 H 1 2.766 0.01 . 2 . . . . . 60 TYR HB2 . 27349 1
693 . 1 1 63 63 TYR HB3 H 1 3.281 0.02 . 2 . . . . . 60 TYR HB3 . 27349 1
694 . 1 1 63 63 TYR HD1 H 1 7.092 0.00 . 3 . . . . . 60 TYR HD1 . 27349 1
695 . 1 1 63 63 TYR HD2 H 1 7.095 0.00 . 3 . . . . . 60 TYR HD2 . 27349 1
696 . 1 1 63 63 TYR CA C 13 57.321 0.18 . 1 . . . . . 60 TYR CA . 27349 1
697 . 1 1 63 63 TYR CB C 13 38.237 0.03 . 1 . . . . . 60 TYR CB . 27349 1
698 . 1 1 63 63 TYR N N 15 114.186 0.05 . 1 . . . . . 60 TYR N . 27349 1
699 . 1 1 64 64 ASP H H 1 7.517 0.01 . 1 . . . . . 61 ASP H . 27349 1
700 . 1 1 64 64 ASP HA H 1 4.763 0.01 . 1 . . . . . 61 ASP HA . 27349 1
701 . 1 1 64 64 ASP HB2 H 1 2.744 0.01 . 2 . . . . . 61 ASP HB2 . 27349 1
702 . 1 1 64 64 ASP HB3 H 1 2.774 0.00 . 2 . . . . . 61 ASP HB3 . 27349 1
703 . 1 1 64 64 ASP C C 13 175.224 0.41 . 1 . . . . . 61 ASP C . 27349 1
704 . 1 1 64 64 ASP CA C 13 54.007 0.22 . 1 . . . . . 61 ASP CA . 27349 1
705 . 1 1 64 64 ASP CB C 13 40.938 0.05 . 1 . . . . . 61 ASP CB . 27349 1
706 . 1 1 64 64 ASP N N 15 118.132 0.02 . 1 . . . . . 61 ASP N . 27349 1
707 . 1 1 65 65 LEU H H 1 8.834 0.00 . 1 . . . . . 62 LEU H . 27349 1
708 . 1 1 65 65 LEU HA H 1 4.437 0.01 . 1 . . . . . 62 LEU HA . 27349 1
709 . 1 1 65 65 LEU HB2 H 1 1.676 0.00 . 2 . . . . . 62 LEU HB2 . 27349 1
710 . 1 1 65 65 LEU HB3 H 1 1.662 0.00 . 2 . . . . . 62 LEU HB3 . 27349 1
711 . 1 1 65 65 LEU HG H 1 1.604 0.00 . 1 . . . . . 62 LEU HG . 27349 1
712 . 1 1 65 65 LEU HD11 H 1 0.766 0.00 . 2 . . . . . 62 LEU HD11 . 27349 1
713 . 1 1 65 65 LEU HD12 H 1 0.766 0.00 . 2 . . . . . 62 LEU HD11 . 27349 1
714 . 1 1 65 65 LEU HD13 H 1 0.766 0.00 . 2 . . . . . 62 LEU HD11 . 27349 1
715 . 1 1 65 65 LEU HD21 H 1 0.817 0.03 . 2 . . . . . 62 LEU HD21 . 27349 1
716 . 1 1 65 65 LEU HD22 H 1 0.840 0.00 . 2 . . . . . 62 LEU HD22 . 27349 1
717 . 1 1 65 65 LEU HD23 H 1 0.840 0.00 . 2 . . . . . 62 LEU HD22 . 27349 1
718 . 1 1 65 65 LEU C C 13 176.884 0.00 . 1 . . . . . 62 LEU C . 27349 1
719 . 1 1 65 65 LEU CA C 13 55.451 0.18 . 1 . . . . . 62 LEU CA . 27349 1
720 . 1 1 65 65 LEU CB C 13 40.871 0.00 . 1 . . . . . 62 LEU CB . 27349 1
721 . 1 1 65 65 LEU CD1 C 13 23.444 0.00 . 2 . . . . . 62 LEU CD1 . 27349 1
722 . 1 1 65 65 LEU CD2 C 13 25.059 0.22 . 2 . . . . . 62 LEU CD2 . 27349 1
723 . 1 1 65 65 LEU N N 15 124.037 0.06 . 1 . . . . . 62 LEU N . 27349 1
724 . 1 1 66 66 THR H H 1 8.376 0.00 . 1 . . . . . 63 THR H . 27349 1
725 . 1 1 66 66 THR HA H 1 4.525 0.01 . 1 . . . . . 63 THR HA . 27349 1
726 . 1 1 66 66 THR HB H 1 4.494 0.02 . 1 . . . . . 63 THR HB . 27349 1
727 . 1 1 66 66 THR HG21 H 1 1.278 0.00 . 1 . . . . . 63 THR HG21 . 27349 1
728 . 1 1 66 66 THR HG22 H 1 1.252 0.01 . 1 . . . . . 63 THR HG22 . 27349 1
729 . 1 1 66 66 THR HG23 H 1 1.272 0.00 . 1 . . . . . 63 THR HG23 . 27349 1
730 . 1 1 66 66 THR C C 13 174.615 0.00 . 1 . . . . . 63 THR C . 27349 1
731 . 1 1 66 66 THR CA C 13 62.551 0.11 . 1 . . . . . 63 THR CA . 27349 1
732 . 1 1 66 66 THR CB C 13 69.956 0.12 . 1 . . . . . 63 THR CB . 27349 1
733 . 1 1 66 66 THR CG2 C 13 21.512 0.00 . 1 . . . . . 63 THR CG2 . 27349 1
734 . 1 1 66 66 THR N N 15 107.276 0.03 . 1 . . . . . 63 THR N . 27349 1
735 . 1 1 67 67 ARG H H 1 7.398 0.00 . 1 . . . . . 64 ARG H . 27349 1
736 . 1 1 67 67 ARG HA H 1 5.490 0.01 . 1 . . . . . 64 ARG HA . 27349 1
737 . 1 1 67 67 ARG HB2 H 1 1.790 0.01 . 2 . . . . . 64 ARG HB2 . 27349 1
738 . 1 1 67 67 ARG HB3 H 1 1.976 0.03 . 2 . . . . . 64 ARG HB3 . 27349 1
739 . 1 1 67 67 ARG HG2 H 1 1.684 0.01 . 2 . . . . . 64 ARG HG2 . 27349 1
740 . 1 1 67 67 ARG HG3 H 1 1.638 0.00 . 2 . . . . . 64 ARG HG3 . 27349 1
741 . 1 1 67 67 ARG HD2 H 1 3.288 0.00 . 2 . . . . . 64 ARG HD2 . 27349 1
742 . 1 1 67 67 ARG HD3 H 1 3.294 0.00 . 2 . . . . . 64 ARG HD3 . 27349 1
743 . 1 1 67 67 ARG C C 13 174.893 0.00 . 1 . . . . . 64 ARG C . 27349 1
744 . 1 1 67 67 ARG CA C 13 54.139 0.16 . 1 . . . . . 64 ARG CA . 27349 1
745 . 1 1 67 67 ARG CB C 13 34.291 0.02 . 1 . . . . . 64 ARG CB . 27349 1
746 . 1 1 67 67 ARG CG C 13 26.997 0.01 . 1 . . . . . 64 ARG CG . 27349 1
747 . 1 1 67 67 ARG CD C 13 43.722 0.00 . 1 . . . . . 64 ARG CD . 27349 1
748 . 1 1 67 67 ARG N N 15 120.856 0.04 . 1 . . . . . 64 ARG N . 27349 1
749 . 1 1 68 68 GLY H H 1 8.063 0.01 . 1 . . . . . 65 GLY H . 27349 1
750 . 1 1 68 68 GLY HA2 H 1 3.652 0.02 . 2 . . . . . 65 GLY HA2 . 27349 1
751 . 1 1 68 68 GLY HA3 H 1 4.767 0.02 . 2 . . . . . 65 GLY HA3 . 27349 1
752 . 1 1 68 68 GLY C C 13 172.021 0.00 . 1 . . . . . 65 GLY C . 27349 1
753 . 1 1 68 68 GLY CA C 13 45.302 0.08 . 1 . . . . . 65 GLY CA . 27349 1
754 . 1 1 68 68 GLY N N 15 105.826 0.06 . 1 . . . . . 65 GLY N . 27349 1
755 . 1 1 69 69 ARG H H 1 8.653 0.01 . 1 . . . . . 66 ARG H . 27349 1
756 . 1 1 69 69 ARG HA H 1 5.071 0.02 . 1 . . . . . 66 ARG HA . 27349 1
757 . 1 1 69 69 ARG HB2 H 1 1.593 0.01 . 2 . . . . . 66 ARG HB2 . 27349 1
758 . 1 1 69 69 ARG HB3 H 1 1.583 0.01 . 2 . . . . . 66 ARG HB3 . 27349 1
759 . 1 1 69 69 ARG HG2 H 1 1.467 0.00 . 2 . . . . . 66 ARG HG2 . 27349 1
760 . 1 1 69 69 ARG HG3 H 1 1.465 0.00 . 2 . . . . . 66 ARG HG3 . 27349 1
761 . 1 1 69 69 ARG HD2 H 1 3.219 0.01 . 2 . . . . . 66 ARG HD2 . 27349 1
762 . 1 1 69 69 ARG HD3 H 1 3.235 0.00 . 2 . . . . . 66 ARG HD3 . 27349 1
763 . 1 1 69 69 ARG C C 13 175.354 0.00 . 1 . . . . . 66 ARG C . 27349 1
764 . 1 1 69 69 ARG CA C 13 53.484 0.13 . 1 . . . . . 66 ARG CA . 27349 1
765 . 1 1 69 69 ARG CB C 13 33.584 0.04 . 1 . . . . . 66 ARG CB . 27349 1
766 . 1 1 69 69 ARG CG C 13 26.975 0.00 . 1 . . . . . 66 ARG CG . 27349 1
767 . 1 1 69 69 ARG CD C 13 43.696 0.00 . 1 . . . . . 66 ARG CD . 27349 1
768 . 1 1 69 69 ARG N N 15 119.029 0.02 . 1 . . . . . 66 ARG N . 27349 1
769 . 1 1 70 70 ILE H H 1 8.883 0.00 . 1 . . . . . 67 ILE H . 27349 1
770 . 1 1 70 70 ILE HA H 1 4.543 0.02 . 1 . . . . . 67 ILE HA . 27349 1
771 . 1 1 70 70 ILE HB H 1 1.519 0.01 . 1 . . . . . 67 ILE HB . 27349 1
772 . 1 1 70 70 ILE HG12 H 1 1.502 0.01 . 2 . . . . . 67 ILE HG12 . 27349 1
773 . 1 1 70 70 ILE HG13 H 1 0.684 0.01 . 2 . . . . . 67 ILE HG13 . 27349 1
774 . 1 1 70 70 ILE HG21 H 1 0.742 0.02 . 1 . . . . . 67 ILE HG21 . 27349 1
775 . 1 1 70 70 ILE HG22 H 1 0.689 0.01 . 1 . . . . . 67 ILE HG22 . 27349 1
776 . 1 1 70 70 ILE HG23 H 1 0.689 0.01 . 1 . . . . . 67 ILE HG22 . 27349 1
777 . 1 1 70 70 ILE HD11 H 1 0.388 0.01 . 1 . . . . . 67 ILE HD11 . 27349 1
778 . 1 1 70 70 ILE HD12 H 1 0.376 0.00 . 1 . . . . . 67 ILE HD12 . 27349 1
779 . 1 1 70 70 ILE HD13 H 1 0.373 0.00 . 1 . . . . . 67 ILE HD13 . 27349 1
780 . 1 1 70 70 ILE C C 13 176.103 0.00 . 1 . . . . . 67 ILE C . 27349 1
781 . 1 1 70 70 ILE CA C 13 61.715 0.14 . 1 . . . . . 67 ILE CA . 27349 1
782 . 1 1 70 70 ILE CB C 13 39.453 0.05 . 1 . . . . . 67 ILE CB . 27349 1
783 . 1 1 70 70 ILE CG1 C 13 28.695 0.01 . 1 . . . . . 67 ILE CG1 . 27349 1
784 . 1 1 70 70 ILE CG2 C 13 16.746 0.00 . 1 . . . . . 67 ILE CG2 . 27349 1
785 . 1 1 70 70 ILE CD1 C 13 14.000 0.13 . 1 . . . . . 67 ILE CD1 . 27349 1
786 . 1 1 70 70 ILE N N 15 124.764 0.04 . 1 . . . . . 67 ILE N . 27349 1
787 . 1 1 71 71 THR H H 1 8.675 0.00 . 1 . . . . . 68 THR H . 27349 1
788 . 1 1 71 71 THR HA H 1 4.599 0.03 . 1 . . . . . 68 THR HA . 27349 1
789 . 1 1 71 71 THR HB H 1 4.399 0.01 . 1 . . . . . 68 THR HB . 27349 1
790 . 1 1 71 71 THR HG21 H 1 1.093 0.01 . 1 . . . . . 68 THR HG21 . 27349 1
791 . 1 1 71 71 THR HG22 H 1 1.117 0.01 . 1 . . . . . 68 THR HG22 . 27349 1
792 . 1 1 71 71 THR HG23 H 1 1.129 0.00 . 1 . . . . . 68 THR HG23 . 27349 1
793 . 1 1 71 71 THR C C 13 175.078 0.00 . 1 . . . . . 68 THR C . 27349 1
794 . 1 1 71 71 THR CA C 13 61.441 0.16 . 1 . . . . . 68 THR CA . 27349 1
795 . 1 1 71 71 THR CB C 13 69.533 0.15 . 1 . . . . . 68 THR CB . 27349 1
796 . 1 1 71 71 THR CG2 C 13 22.497 0.07 . 1 . . . . . 68 THR CG2 . 27349 1
797 . 1 1 71 71 THR N N 15 117.101 0.03 . 1 . . . . . 68 THR N . 27349 1
798 . 1 1 72 72 TRP H H 1 7.557 0.00 . 1 . . . . . 69 TRP H . 27349 1
799 . 1 1 72 72 TRP HA H 1 4.624 0.01 . 1 . . . . . 69 TRP HA . 27349 1
800 . 1 1 72 72 TRP HB2 H 1 3.363 0.05 . 2 . . . . . 69 TRP HB2 . 27349 1
801 . 1 1 72 72 TRP HB3 H 1 3.417 0.02 . 2 . . . . . 69 TRP HB3 . 27349 1
802 . 1 1 72 72 TRP HD1 H 1 7.050 0.02 . 1 . . . . . 69 TRP HD1 . 27349 1
803 . 1 1 72 72 TRP HE1 H 1 10.207 0.01 . 1 . . . . . 69 TRP HE1 . 27349 1
804 . 1 1 72 72 TRP HE3 H 1 7.561 0.00 . 1 . . . . . 69 TRP HE3 . 27349 1
805 . 1 1 72 72 TRP HZ2 H 1 7.442 0.00 . 1 . . . . . 69 TRP HZ2 . 27349 1
806 . 1 1 72 72 TRP C C 13 173.454 0.00 . 1 . . . . . 69 TRP C . 27349 1
807 . 1 1 72 72 TRP CA C 13 57.678 0.18 . 1 . . . . . 69 TRP CA . 27349 1
808 . 1 1 72 72 TRP CB C 13 31.634 0.04 . 1 . . . . . 69 TRP CB . 27349 1
809 . 1 1 72 72 TRP N N 15 118.849 0.08 . 1 . . . . . 69 TRP N . 27349 1
810 . 1 1 72 72 TRP NE1 N 15 130.663 0.03 . 1 . . . . . 69 TRP NE1 . 27349 1
811 . 1 1 73 73 ARG H H 1 7.890 0.01 . 1 . . . . . 70 ARG H . 27349 1
812 . 1 1 73 73 ARG HA H 1 4.636 0.02 . 1 . . . . . 70 ARG HA . 27349 1
813 . 1 1 73 73 ARG HB2 H 1 1.295 0.00 . 2 . . . . . 70 ARG HB2 . 27349 1
814 . 1 1 73 73 ARG HB3 H 1 1.565 0.01 . 2 . . . . . 70 ARG HB3 . 27349 1
815 . 1 1 73 73 ARG HD2 H 1 2.972 0.00 . 2 . . . . . 70 ARG HD2 . 27349 1
816 . 1 1 73 73 ARG HD3 H 1 2.983 0.00 . 2 . . . . . 70 ARG HD3 . 27349 1
817 . 1 1 73 73 ARG C C 13 174.363 0.00 . 1 . . . . . 70 ARG C . 27349 1
818 . 1 1 73 73 ARG CA C 13 55.050 0.15 . 1 . . . . . 70 ARG CA . 27349 1
819 . 1 1 73 73 ARG CB C 13 31.845 0.04 . 1 . . . . . 70 ARG CB . 27349 1
820 . 1 1 73 73 ARG CG C 13 26.424 0.00 . 1 . . . . . 70 ARG CG . 27349 1
821 . 1 1 73 73 ARG CD C 13 43.385 0.00 . 1 . . . . . 70 ARG CD . 27349 1
822 . 1 1 73 73 ARG N N 15 124.196 0.03 . 1 . . . . . 70 ARG N . 27349 1
823 . 1 1 74 74 LYS H H 1 8.498 0.00 . 1 . . . . . 71 LYS H . 27349 1
824 . 1 1 74 74 LYS HA H 1 4.142 0.01 . 1 . . . . . 71 LYS HA . 27349 1
825 . 1 1 74 74 LYS HB2 H 1 1.562 0.00 . 2 . . . . . 71 LYS HB2 . 27349 1
826 . 1 1 74 74 LYS HB3 H 1 1.755 0.01 . 2 . . . . . 71 LYS HB3 . 27349 1
827 . 1 1 74 74 LYS C C 13 175.747 0.00 . 1 . . . . . 71 LYS C . 27349 1
828 . 1 1 74 74 LYS CA C 13 56.618 0.12 . 1 . . . . . 71 LYS CA . 27349 1
829 . 1 1 74 74 LYS CB C 13 33.256 0.02 . 1 . . . . . 71 LYS CB . 27349 1
830 . 1 1 74 74 LYS CG C 13 25.243 0.00 . 1 . . . . . 71 LYS CG . 27349 1
831 . 1 1 74 74 LYS CD C 13 29.315 0.00 . 1 . . . . . 71 LYS CD . 27349 1
832 . 1 1 74 74 LYS N N 15 126.162 0.03 . 1 . . . . . 71 LYS N . 27349 1
833 . 1 1 75 75 LYS H H 1 8.405 0.00 . 1 . . . . . 72 LYS H . 27349 1
834 . 1 1 75 75 LYS HA H 1 4.250 0.02 . 1 . . . . . 72 LYS HA . 27349 1
835 . 1 1 75 75 LYS HB2 H 1 1.751 0.00 . 2 . . . . . 72 LYS HB2 . 27349 1
836 . 1 1 75 75 LYS HB3 H 1 1.756 0.00 . 2 . . . . . 72 LYS HB3 . 27349 1
837 . 1 1 75 75 LYS C C 13 176.042 0.00 . 1 . . . . . 72 LYS C . 27349 1
838 . 1 1 75 75 LYS CA C 13 56.516 0.21 . 1 . . . . . 72 LYS CA . 27349 1
839 . 1 1 75 75 LYS CB C 13 33.161 0.04 . 1 . . . . . 72 LYS CB . 27349 1
840 . 1 1 75 75 LYS CG C 13 24.692 0.00 . 1 . . . . . 72 LYS CG . 27349 1
841 . 1 1 75 75 LYS CD C 13 29.107 0.00 . 1 . . . . . 72 LYS CD . 27349 1
842 . 1 1 75 75 LYS N N 15 124.038 0.05 . 1 . . . . . 72 LYS N . 27349 1
843 . 1 1 76 76 LEU H H 1 8.332 0.00 . 1 . . . . . 73 LEU H . 27349 1
844 . 1 1 76 76 LEU HA H 1 4.410 0.02 . 1 . . . . . 73 LEU HA . 27349 1
845 . 1 1 76 76 LEU HB2 H 1 1.522 0.00 . 2 . . . . . 73 LEU HB2 . 27349 1
846 . 1 1 76 76 LEU HB3 H 1 1.532 0.00 . 2 . . . . . 73 LEU HB3 . 27349 1
847 . 1 1 76 76 LEU C C 13 176.760 0.00 . 1 . . . . . 73 LEU C . 27349 1
848 . 1 1 76 76 LEU CA C 13 55.069 0.10 . 1 . . . . . 73 LEU CA . 27349 1
849 . 1 1 76 76 LEU CB C 13 42.535 0.07 . 1 . . . . . 73 LEU CB . 27349 1
850 . 1 1 76 76 LEU CG C 13 27.061 0.00 . 1 . . . . . 73 LEU CG . 27349 1
851 . 1 1 76 76 LEU CD1 C 13 23.430 0.00 . 2 . . . . . 73 LEU CD1 . 27349 1
852 . 1 1 76 76 LEU CD2 C 13 24.061 0.00 . 2 . . . . . 73 LEU CD2 . 27349 1
853 . 1 1 76 76 LEU N N 15 125.560 0.04 . 1 . . . . . 73 LEU N . 27349 1
854 . 1 1 77 77 GLU H H 1 8.445 0.00 . 1 . . . . . 74 GLU H . 27349 1
855 . 1 1 77 77 GLU CA C 13 55.871 0.00 . 1 . . . . . 74 GLU CA . 27349 1
856 . 1 1 77 77 GLU CB C 13 30.597 0.00 . 1 . . . . . 74 GLU CB . 27349 1
857 . 1 1 77 77 GLU N N 15 122.945 0.03 . 1 . . . . . 74 GLU N . 27349 1
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