data_5565
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 5565
_Entry.Title
;
Backbone 1H, 13C, and 15N Chemical Shift Assignments for porcine MSP
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2002-10-30
_Entry.Accession_date 2002-10-30
_Entry.Last_release_date 2002-10-30
_Entry.Original_release_date 2002-10-30
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.0.16
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_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 Iren Wang . . . . 5565
2 Yuan-Chao Lou . . . . 5565
3 Kuen-Phon Wu . . . . 5565
4 Shih-Hsiung Wu . . . . 5565
5 Wen-Chang Chang . . . . 5565
6 Chinpan Chen . . . . 5565
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 5565
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 394 5565
'15N chemical shifts' 97 5565
'1H chemical shifts' 603 5565
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 . . 2003-09-28 . original author 'original release' 5565
1 . . 2004-09-22 . update author 'addition of chemical shifts' 5565
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 5565
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title
;
Disulfide pairings and structure of porcine beta-microseminoprotein
;
_Citation.Status published
_Citation.Type 'BMRB only'
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_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 .
_Citation.Page_last .
_Citation.Year .
_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 Iren Wang . . . . 5565 1
2 Yuan-Chao Lou . . . . 5565 1
3 Kuen-Phon Wu . . . . 5565 1
4 Shih-Hsiung Wu . . . . 5565 1
5 Wen-Chang Chang . . . . 5565 1
6 Chinpan Chen . . . . 5565 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
MSP 5565 1
NMR 5565 1
'Na+,K+-ATPase inhibitor' 5565 1
PSP94 5565 1
beta-microseminoprotein 5565 1
structure 5565 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_MSP
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_MSP
_Assembly.Entry_ID 5565
_Assembly.ID 1
_Assembly.Name 'porcine MSP'
_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 'all disulfide bound'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
monomer 5565 1
stop_
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 'porcine MSP' 1 $MSP . . . native . . . . . 5565 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_asym_ID_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_asym_ID_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 disulfide single . 1 . 1 CYS 2 2 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . . . 5565 1
2 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 39 39 SG . . . . . . . . . . . . 5565 1
3 disulfide single . 1 . 1 CYS 34 34 SG . 1 . 1 CYS 70 70 SG . . . . . . . . . . . . 5565 1
4 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 46 46 SG . . . . . . . . . . . . 5565 1
5 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 84 84 SG . . . . . . . . . . . . 5565 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
MSP abbreviation 5565 1
'porcine MSP' system 5565 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_MSP
_Entity.Sf_category entity
_Entity.Sf_framecode MSP
_Entity.Entry_ID 5565
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name beta-microseminoprotein
_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
;
QCYFIPNQSLKPNECQDLKG
VSHPLNSVWKTKDCEECTCG
QDAISCCNTAAIPTGYDTNK
CQKILNKKTCTYTVVEKKDP
GKTCDVTGWVL
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 91
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all disulfide bound'
_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 2008-08-19
_Entity.DB_query_revised_last_date 2008-08-19
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
. . BMRB 7243 . beta-microseminoprotein . . . . . 100.00 94 100.00 100.00 1.14e-45 . . . . 5565 1
. . BMRB 7304 . beta-microseminoprotein . . . . . 100.00 91 100.00 100.00 1.14e-45 . . . . 5565 1
. . PDB 1XHH . 'Solution Structure Of Porcine Beta-Microseminoprotein' . . . . . 100.00 91 100.00 100.00 1.14e-45 . . . . 5565 1
. . PDB 2IZ4 . 'Solution Structure Of Human And Porcine Beta- Microseminoprotein' . . . . . 100.00 94 100.00 100.00 1.14e-45 . . . . 5565 1
. . GenBank AAB50711 . 'PSP94-like protein [Sus scrofa]' . . . . . 100.00 111 98.90 100.00 7.92e-46 . . . . 5565 1
. . REF NP_999017 . 'beta-microseminoprotein [Sus scrofa]' . . . . . 100.00 111 98.90 100.00 7.92e-46 . . . . 5565 1
. . SWISS-PROT O02826 . 'Beta-microseminoprotein precursor (Prostate secreted seminal plasma protein) (Prostate secretory protein PSP94) (PSP-94) (TS507)' . . . . . 100.00 111 98.90 100.00 7.92e-46 . . . . 5565 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
MSP abbreviation 5565 1
beta-microseminoprotein common 5565 1
'sperm motility inhibitor' variant 5565 1
stop_
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 . GLN . 5565 1
2 . CYS . 5565 1
3 . TYR . 5565 1
4 . PHE . 5565 1
5 . ILE . 5565 1
6 . PRO . 5565 1
7 . ASN . 5565 1
8 . GLN . 5565 1
9 . SER . 5565 1
10 . LEU . 5565 1
11 . LYS . 5565 1
12 . PRO . 5565 1
13 . ASN . 5565 1
14 . GLU . 5565 1
15 . CYS . 5565 1
16 . GLN . 5565 1
17 . ASP . 5565 1
18 . LEU . 5565 1
19 . LYS . 5565 1
20 . GLY . 5565 1
21 . VAL . 5565 1
22 . SER . 5565 1
23 . HIS . 5565 1
24 . PRO . 5565 1
25 . LEU . 5565 1
26 . ASN . 5565 1
27 . SER . 5565 1
28 . VAL . 5565 1
29 . TRP . 5565 1
30 . LYS . 5565 1
31 . THR . 5565 1
32 . LYS . 5565 1
33 . ASP . 5565 1
34 . CYS . 5565 1
35 . GLU . 5565 1
36 . GLU . 5565 1
37 . CYS . 5565 1
38 . THR . 5565 1
39 . CYS . 5565 1
40 . GLY . 5565 1
41 . GLN . 5565 1
42 . ASP . 5565 1
43 . ALA . 5565 1
44 . ILE . 5565 1
45 . SER . 5565 1
46 . CYS . 5565 1
47 . CYS . 5565 1
48 . ASN . 5565 1
49 . THR . 5565 1
50 . ALA . 5565 1
51 . ALA . 5565 1
52 . ILE . 5565 1
53 . PRO . 5565 1
54 . THR . 5565 1
55 . GLY . 5565 1
56 . TYR . 5565 1
57 . ASP . 5565 1
58 . THR . 5565 1
59 . ASN . 5565 1
60 . LYS . 5565 1
61 . CYS . 5565 1
62 . GLN . 5565 1
63 . LYS . 5565 1
64 . ILE . 5565 1
65 . LEU . 5565 1
66 . ASN . 5565 1
67 . LYS . 5565 1
68 . LYS . 5565 1
69 . THR . 5565 1
70 . CYS . 5565 1
71 . THR . 5565 1
72 . TYR . 5565 1
73 . THR . 5565 1
74 . VAL . 5565 1
75 . VAL . 5565 1
76 . GLU . 5565 1
77 . LYS . 5565 1
78 . LYS . 5565 1
79 . ASP . 5565 1
80 . PRO . 5565 1
81 . GLY . 5565 1
82 . LYS . 5565 1
83 . THR . 5565 1
84 . CYS . 5565 1
85 . ASP . 5565 1
86 . VAL . 5565 1
87 . THR . 5565 1
88 . GLY . 5565 1
89 . TRP . 5565 1
90 . VAL . 5565 1
91 . LEU . 5565 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
. GLN 1 1 5565 1
. CYS 2 2 5565 1
. TYR 3 3 5565 1
. PHE 4 4 5565 1
. ILE 5 5 5565 1
. PRO 6 6 5565 1
. ASN 7 7 5565 1
. GLN 8 8 5565 1
. SER 9 9 5565 1
. LEU 10 10 5565 1
. LYS 11 11 5565 1
. PRO 12 12 5565 1
. ASN 13 13 5565 1
. GLU 14 14 5565 1
. CYS 15 15 5565 1
. GLN 16 16 5565 1
. ASP 17 17 5565 1
. LEU 18 18 5565 1
. LYS 19 19 5565 1
. GLY 20 20 5565 1
. VAL 21 21 5565 1
. SER 22 22 5565 1
. HIS 23 23 5565 1
. PRO 24 24 5565 1
. LEU 25 25 5565 1
. ASN 26 26 5565 1
. SER 27 27 5565 1
. VAL 28 28 5565 1
. TRP 29 29 5565 1
. LYS 30 30 5565 1
. THR 31 31 5565 1
. LYS 32 32 5565 1
. ASP 33 33 5565 1
. CYS 34 34 5565 1
. GLU 35 35 5565 1
. GLU 36 36 5565 1
. CYS 37 37 5565 1
. THR 38 38 5565 1
. CYS 39 39 5565 1
. GLY 40 40 5565 1
. GLN 41 41 5565 1
. ASP 42 42 5565 1
. ALA 43 43 5565 1
. ILE 44 44 5565 1
. SER 45 45 5565 1
. CYS 46 46 5565 1
. CYS 47 47 5565 1
. ASN 48 48 5565 1
. THR 49 49 5565 1
. ALA 50 50 5565 1
. ALA 51 51 5565 1
. ILE 52 52 5565 1
. PRO 53 53 5565 1
. THR 54 54 5565 1
. GLY 55 55 5565 1
. TYR 56 56 5565 1
. ASP 57 57 5565 1
. THR 58 58 5565 1
. ASN 59 59 5565 1
. LYS 60 60 5565 1
. CYS 61 61 5565 1
. GLN 62 62 5565 1
. LYS 63 63 5565 1
. ILE 64 64 5565 1
. LEU 65 65 5565 1
. ASN 66 66 5565 1
. LYS 67 67 5565 1
. LYS 68 68 5565 1
. THR 69 69 5565 1
. CYS 70 70 5565 1
. THR 71 71 5565 1
. TYR 72 72 5565 1
. THR 73 73 5565 1
. VAL 74 74 5565 1
. VAL 75 75 5565 1
. GLU 76 76 5565 1
. LYS 77 77 5565 1
. LYS 78 78 5565 1
. ASP 79 79 5565 1
. PRO 80 80 5565 1
. GLY 81 81 5565 1
. LYS 82 82 5565 1
. THR 83 83 5565 1
. CYS 84 84 5565 1
. ASP 85 85 5565 1
. VAL 86 86 5565 1
. THR 87 87 5565 1
. GLY 88 88 5565 1
. TRP 89 89 5565 1
. VAL 90 90 5565 1
. LEU 91 91 5565 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 5565
_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 $MSP . 9823 . . 'Sus scrofa' Pig . . Eukaryota Metazoa Sus scrofa . . . . . . . . . . . . . 5565 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 5565
_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 $MSP . 'recombinant technology' . . . . . . . . . . . . . . . . 5565 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_Sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode Sample_1
_Sample.Entry_ID 5565
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 beta-microseminoprotein '[U-13C; U-15N]' . . 1 $MSP . . 1.5 1.0 1.5 mM . . . . 5565 1
stop_
save_
#######################
# Sample conditions #
#######################
save_Ex-cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode Ex-cond_1
_Sample_condition_list.Entry_ID 5565
_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
pH 5.0 0.2 n/a 5565 1
temperature 310 1 K 5565 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 5565
_Software.ID 1
_Software.Type .
_Software.Name XWINNMR
_Software.Version 2.5
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data processing' 5565 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 5565
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 5565
_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 NMR_spectrometer Bruker AVANCE . 600 . . . 5565 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 5565
_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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1
2 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1
3 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1
4 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1
5 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1
6 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1
7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5565 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 5565
_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 0.0 . indirect 0.251449530 . . . . . 5565 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 5565 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5565 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_Shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Shift_set_1
_Assigned_chem_shift_list.Entry_ID 5565
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 '1H-15N HSQC' 1 $Sample_1 . 5565 1
2 '1H-15N NOESY' 1 $Sample_1 . 5565 1
3 '1H-15N TOCSY' 1 $Sample_1 . 5565 1
4 '1H-13C NOESY' 1 $Sample_1 . 5565 1
5 HN(CO)CA 1 $Sample_1 . 5565 1
6 HN(CO)CACB 1 $Sample_1 . 5565 1
7 HNCO 1 $Sample_1 . 5565 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 1 1 GLN HA H 1 4.37 0.2 . 1 . . . . . . . . . 5565 1
2 . 1 1 1 1 GLN HB2 H 1 2.25 0.2 . 2 . . . . . . . . . 5565 1
3 . 1 1 1 1 GLN HB3 H 1 2.08 0.2 . 2 . . . . . . . . . 5565 1
4 . 1 1 1 1 GLN HG2 H 1 2.36 0.2 . 2 . . . . . . . . . 5565 1
5 . 1 1 1 1 GLN HG3 H 1 2.19 0.2 . 2 . . . . . . . . . 5565 1
6 . 1 1 1 1 GLN HE21 H 1 7.57 0.2 . 2 . . . . . . . . . 5565 1
7 . 1 1 1 1 GLN HE22 H 1 6.72 0.2 . 2 . . . . . . . . . 5565 1
8 . 1 1 1 1 GLN C C 13 175.95 0.2 . 1 . . . . . . . . . 5565 1
9 . 1 1 1 1 GLN CA C 13 55.87 0.2 . 1 . . . . . . . . . 5565 1
10 . 1 1 1 1 GLN CB C 13 28.61 0.2 . 1 . . . . . . . . . 5565 1
11 . 1 1 1 1 GLN CG C 13 33.05 0.2 . 1 . . . . . . . . . 5565 1
12 . 1 1 1 1 GLN NE2 N 15 111.95 0.2 . 1 . . . . . . . . . 5565 1
13 . 1 1 2 2 CYS H H 1 8 0.2 . 1 . . . . . . . . . 5565 1
14 . 1 1 2 2 CYS HA H 1 5.61 0.2 . 1 . . . . . . . . . 5565 1
15 . 1 1 2 2 CYS HB2 H 1 2.83 0.2 . 2 . . . . . . . . . 5565 1
16 . 1 1 2 2 CYS HB3 H 1 2.47 0.2 . 2 . . . . . . . . . 5565 1
17 . 1 1 2 2 CYS C C 13 172.83 0.2 . 1 . . . . . . . . . 5565 1
18 . 1 1 2 2 CYS CA C 13 54.8 0.2 . 1 . . . . . . . . . 5565 1
19 . 1 1 2 2 CYS CB C 13 47.47 0.2 . 1 . . . . . . . . . 5565 1
20 . 1 1 2 2 CYS N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1
21 . 1 1 3 3 TYR H H 1 8.69 0.2 . 1 . . . . . . . . . 5565 1
22 . 1 1 3 3 TYR HA H 1 4.71 0.2 . 1 . . . . . . . . . 5565 1
23 . 1 1 3 3 TYR HB2 H 1 2.96 0.2 . 1 . . . . . . . . . 5565 1
24 . 1 1 3 3 TYR HB3 H 1 2.96 0.2 . 1 . . . . . . . . . 5565 1
25 . 1 1 3 3 TYR HD1 H 1 6.84 0.2 . 1 . . . . . . . . . 5565 1
26 . 1 1 3 3 TYR HE1 H 1 6.58 0.2 . 1 . . . . . . . . . 5565 1
27 . 1 1 3 3 TYR HE2 H 1 6.58 0.2 . 1 . . . . . . . . . 5565 1
28 . 1 1 3 3 TYR HD2 H 1 6.84 0.2 . 1 . . . . . . . . . 5565 1
29 . 1 1 3 3 TYR C C 13 172.85 0.2 . 1 . . . . . . . . . 5565 1
30 . 1 1 3 3 TYR CA C 13 54.82 0.2 . 1 . . . . . . . . . 5565 1
31 . 1 1 3 3 TYR CB C 13 39.33 0.2 . 1 . . . . . . . . . 5565 1
32 . 1 1 3 3 TYR CD1 C 13 133.79 0.2 . 1 . . . . . . . . . 5565 1
33 . 1 1 3 3 TYR CE1 C 13 117.67 0.2 . 1 . . . . . . . . . 5565 1
34 . 1 1 3 3 TYR CD2 C 13 133.79 0.2 . 1 . . . . . . . . . 5565 1
35 . 1 1 3 3 TYR CE2 C 13 117.67 0.2 . 1 . . . . . . . . . 5565 1
36 . 1 1 3 3 TYR N N 15 118.77 0.2 . 1 . . . . . . . . . 5565 1
37 . 1 1 4 4 PHE H H 1 8.48 0.2 . 1 . . . . . . . . . 5565 1
38 . 1 1 4 4 PHE HA H 1 5.61 0.2 . 1 . . . . . . . . . 5565 1
39 . 1 1 4 4 PHE HB2 H 1 2.84 0.2 . 1 . . . . . . . . . 5565 1
40 . 1 1 4 4 PHE HB3 H 1 2.84 0.2 . 1 . . . . . . . . . 5565 1
41 . 1 1 4 4 PHE HD1 H 1 7.24 0.2 . 1 . . . . . . . . . 5565 1
42 . 1 1 4 4 PHE HE1 H 1 7.12 0.2 . 1 . . . . . . . . . 5565 1
43 . 1 1 4 4 PHE HZ H 1 7.19 0.2 . 1 . . . . . . . . . 5565 1
44 . 1 1 4 4 PHE HE2 H 1 7.12 0.2 . 1 . . . . . . . . . 5565 1
45 . 1 1 4 4 PHE HD2 H 1 7.24 0.2 . 1 . . . . . . . . . 5565 1
46 . 1 1 4 4 PHE C C 13 176.02 0.2 . 1 . . . . . . . . . 5565 1
47 . 1 1 4 4 PHE CA C 13 55.15 0.2 . 1 . . . . . . . . . 5565 1
48 . 1 1 4 4 PHE CB C 13 41.2 0.2 . 1 . . . . . . . . . 5565 1
49 . 1 1 4 4 PHE CD1 C 13 131.99 0.2 . 1 . . . . . . . . . 5565 1
50 . 1 1 4 4 PHE CE1 C 13 131.4 0.2 . 1 . . . . . . . . . 5565 1
51 . 1 1 4 4 PHE CZ C 13 129.75 0.2 . 1 . . . . . . . . . 5565 1
52 . 1 1 4 4 PHE CE2 C 13 131.4 0.2 . 1 . . . . . . . . . 5565 1
53 . 1 1 4 4 PHE CD2 C 13 131.99 0.2 . 1 . . . . . . . . . 5565 1
54 . 1 1 4 4 PHE N N 15 117.52 0.2 . 1 . . . . . . . . . 5565 1
55 . 1 1 5 5 ILE H H 1 9.2 0.2 . 1 . . . . . . . . . 5565 1
56 . 1 1 5 5 ILE HA H 1 4.75 0.2 . 1 . . . . . . . . . 5565 1
57 . 1 1 5 5 ILE HB H 1 1.9 0.2 . 1 . . . . . . . . . 5565 1
58 . 1 1 5 5 ILE HG12 H 1 1.56 0.2 . 2 . . . . . . . . . 5565 1
59 . 1 1 5 5 ILE HG13 H 1 1.2 0.2 . 2 . . . . . . . . . 5565 1
60 . 1 1 5 5 ILE HG21 H 1 1.09 0.2 . 1 . . . . . . . . . 5565 1
61 . 1 1 5 5 ILE HG22 H 1 1.09 0.2 . 1 . . . . . . . . . 5565 1
62 . 1 1 5 5 ILE HG23 H 1 1.09 0.2 . 1 . . . . . . . . . 5565 1
63 . 1 1 5 5 ILE HD11 H 1 1.02 0.2 . 1 . . . . . . . . . 5565 1
64 . 1 1 5 5 ILE HD12 H 1 1.02 0.2 . 1 . . . . . . . . . 5565 1
65 . 1 1 5 5 ILE HD13 H 1 1.02 0.2 . 1 . . . . . . . . . 5565 1
66 . 1 1 5 5 ILE C C 13 173.72 0.2 . 1 . . . . . . . . . 5565 1
67 . 1 1 5 5 ILE CA C 13 57.1 0.2 . 1 . . . . . . . . . 5565 1
68 . 1 1 5 5 ILE CB C 13 40.8 0.2 . 1 . . . . . . . . . 5565 1
69 . 1 1 5 5 ILE CG1 C 13 26.05 0.2 . 1 . . . . . . . . . 5565 1
70 . 1 1 5 5 ILE CG2 C 13 19.65 0.2 . 1 . . . . . . . . . 5565 1
71 . 1 1 5 5 ILE CD1 C 13 13.51 0.2 . 1 . . . . . . . . . 5565 1
72 . 1 1 5 5 ILE N N 15 122.58 0.2 . 1 . . . . . . . . . 5565 1
73 . 1 1 6 6 PRO HA H 1 4.42 0.2 . 1 . . . . . . . . . 5565 1
74 . 1 1 6 6 PRO HB2 H 1 2.38 0.2 . 1 . . . . . . . . . 5565 1
75 . 1 1 6 6 PRO HB3 H 1 2.38 0.2 . 1 . . . . . . . . . 5565 1
76 . 1 1 6 6 PRO HG2 H 1 2.1 0.2 . 1 . . . . . . . . . 5565 1
77 . 1 1 6 6 PRO HG3 H 1 2.1 0.2 . 1 . . . . . . . . . 5565 1
78 . 1 1 6 6 PRO HD2 H 1 3.85 0.2 . 2 . . . . . . . . . 5565 1
79 . 1 1 6 6 PRO HD3 H 1 3.77 0.2 . 2 . . . . . . . . . 5565 1
80 . 1 1 6 6 PRO C C 13 176.2 0.2 . 1 . . . . . . . . . 5565 1
81 . 1 1 6 6 PRO CA C 13 62.17 0.2 . 1 . . . . . . . . . 5565 1
82 . 1 1 6 6 PRO CB C 13 31.23 0.2 . 1 . . . . . . . . . 5565 1
83 . 1 1 6 6 PRO CG C 13 26.84 0.2 . 1 . . . . . . . . . 5565 1
84 . 1 1 6 6 PRO CD C 13 50.21 0.2 . 1 . . . . . . . . . 5565 1
85 . 1 1 7 7 ASN H H 1 8.11 0.2 . 1 . . . . . . . . . 5565 1
86 . 1 1 7 7 ASN HA H 1 4.73 0.2 . 1 . . . . . . . . . 5565 1
87 . 1 1 7 7 ASN HB2 H 1 3.03 0.2 . 2 . . . . . . . . . 5565 1
88 . 1 1 7 7 ASN HB3 H 1 2.43 0.2 . 2 . . . . . . . . . 5565 1
89 . 1 1 7 7 ASN HD21 H 1 7.48 0.2 . 2 . . . . . . . . . 5565 1
90 . 1 1 7 7 ASN HD22 H 1 7.19 0.2 . 2 . . . . . . . . . 5565 1
91 . 1 1 7 7 ASN C C 13 176.2 0.2 . 1 . . . . . . . . . 5565 1
92 . 1 1 7 7 ASN CA C 13 52.04 0.2 . 1 . . . . . . . . . 5565 1
93 . 1 1 7 7 ASN CB C 13 37.69 0.2 . 1 . . . . . . . . . 5565 1
94 . 1 1 7 7 ASN N N 15 120.08 0.2 . 1 . . . . . . . . . 5565 1
95 . 1 1 7 7 ASN ND2 N 15 113.44 0.2 . 1 . . . . . . . . . 5565 1
96 . 1 1 8 8 GLN H H 1 8.58 0.2 . 1 . . . . . . . . . 5565 1
97 . 1 1 8 8 GLN HA H 1 4.36 0.2 . 1 . . . . . . . . . 5565 1
98 . 1 1 8 8 GLN HB2 H 1 2.24 0.2 . 2 . . . . . . . . . 5565 1
99 . 1 1 8 8 GLN HB3 H 1 1.72 0.2 . 2 . . . . . . . . . 5565 1
100 . 1 1 8 8 GLN HG2 H 1 2.36 0.2 . 1 . . . . . . . . . 5565 1
101 . 1 1 8 8 GLN HG3 H 1 2.36 0.2 . 1 . . . . . . . . . 5565 1
102 . 1 1 8 8 GLN HE21 H 1 7.4 0.2 . 2 . . . . . . . . . 5565 1
103 . 1 1 8 8 GLN HE22 H 1 6.91 0.2 . 2 . . . . . . . . . 5565 1
104 . 1 1 8 8 GLN C C 13 176.59 0.2 . 1 . . . . . . . . . 5565 1
105 . 1 1 8 8 GLN CA C 13 54.26 0.2 . 1 . . . . . . . . . 5565 1
106 . 1 1 8 8 GLN CB C 13 28.59 0.2 . 1 . . . . . . . . . 5565 1
107 . 1 1 8 8 GLN CG C 13 33.08 0.2 . 1 . . . . . . . . . 5565 1
108 . 1 1 8 8 GLN N N 15 123.77 0.2 . 1 . . . . . . . . . 5565 1
109 . 1 1 8 8 GLN NE2 N 15 112.9 0.2 . 1 . . . . . . . . . 5565 1
110 . 1 1 9 9 SER H H 1 7.77 0.2 . 1 . . . . . . . . . 5565 1
111 . 1 1 9 9 SER HA H 1 4.25 0.2 . 1 . . . . . . . . . 5565 1
112 . 1 1 9 9 SER HB2 H 1 3.85 0.2 . 1 . . . . . . . . . 5565 1
113 . 1 1 9 9 SER HB3 H 1 3.85 0.2 . 1 . . . . . . . . . 5565 1
114 . 1 1 9 9 SER C C 13 175.21 0.2 . 1 . . . . . . . . . 5565 1
115 . 1 1 9 9 SER CA C 13 57.75 0.2 . 1 . . . . . . . . . 5565 1
116 . 1 1 9 9 SER CB C 13 63.49 0.2 . 1 . . . . . . . . . 5565 1
117 . 1 1 9 9 SER N N 15 113.77 0.2 . 1 . . . . . . . . . 5565 1
118 . 1 1 10 10 LEU H H 1 8.58 0.2 . 1 . . . . . . . . . 5565 1
119 . 1 1 10 10 LEU HA H 1 4.35 0.2 . 1 . . . . . . . . . 5565 1
120 . 1 1 10 10 LEU HB2 H 1 1.62 0.2 . 1 . . . . . . . . . 5565 1
121 . 1 1 10 10 LEU HB3 H 1 1.62 0.2 . 1 . . . . . . . . . 5565 1
122 . 1 1 10 10 LEU HG H 1 1.65 0.2 . 1 . . . . . . . . . 5565 1
123 . 1 1 10 10 LEU HD11 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1
124 . 1 1 10 10 LEU HD12 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1
125 . 1 1 10 10 LEU HD13 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1
126 . 1 1 10 10 LEU HD21 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1
127 . 1 1 10 10 LEU HD22 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1
128 . 1 1 10 10 LEU HD23 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1
129 . 1 1 10 10 LEU C C 13 177.2 0.2 . 1 . . . . . . . . . 5565 1
130 . 1 1 10 10 LEU CA C 13 54.39 0.2 . 1 . . . . . . . . . 5565 1
131 . 1 1 10 10 LEU CB C 13 40.99 0.2 . 1 . . . . . . . . . 5565 1
132 . 1 1 10 10 LEU CG C 13 26.32 0.2 . 1 . . . . . . . . . 5565 1
133 . 1 1 10 10 LEU CD1 C 13 24.17 0.2 . 2 . . . . . . . . . 5565 1
134 . 1 1 10 10 LEU CD2 C 13 22.09 0.2 . 2 . . . . . . . . . 5565 1
135 . 1 1 10 10 LEU N N 15 125.02 0.2 . 1 . . . . . . . . . 5565 1
136 . 1 1 11 11 LYS H H 1 8.11 0.2 . 1 . . . . . . . . . 5565 1
137 . 1 1 11 11 LYS HA H 1 4.59 0.2 . 1 . . . . . . . . . 5565 1
138 . 1 1 11 11 LYS HB2 H 1 1.72 0.2 . 1 . . . . . . . . . 5565 1
139 . 1 1 11 11 LYS HB3 H 1 1.72 0.2 . 1 . . . . . . . . . 5565 1
140 . 1 1 11 11 LYS HG2 H 1 1.32 0.2 . 1 . . . . . . . . . 5565 1
141 . 1 1 11 11 LYS HG3 H 1 1.32 0.2 . 1 . . . . . . . . . 5565 1
142 . 1 1 11 11 LYS HD2 H 1 1.5 0.2 . 1 . . . . . . . . . 5565 1
143 . 1 1 11 11 LYS HD3 H 1 1.5 0.2 . 1 . . . . . . . . . 5565 1
144 . 1 1 11 11 LYS C C 13 174.7 0.2 . 1 . . . . . . . . . 5565 1
145 . 1 1 11 11 LYS CA C 13 52.53 0.2 . 1 . . . . . . . . . 5565 1
146 . 1 1 11 11 LYS CB C 13 32.42 0.2 . 1 . . . . . . . . . 5565 1
147 . 1 1 11 11 LYS N N 15 121.27 0.2 . 1 . . . . . . . . . 5565 1
148 . 1 1 12 12 PRO HA H 1 4.39 0.2 . 1 . . . . . . . . . 5565 1
149 . 1 1 12 12 PRO HB2 H 1 2.23 0.2 . 1 . . . . . . . . . 5565 1
150 . 1 1 12 12 PRO HB3 H 1 2.23 0.2 . 1 . . . . . . . . . 5565 1
151 . 1 1 12 12 PRO HG2 H 1 2.01 0.2 . 2 . . . . . . . . . 5565 1
152 . 1 1 12 12 PRO HG3 H 1 1.86 0.2 . 2 . . . . . . . . . 5565 1
153 . 1 1 12 12 PRO HD2 H 1 3.81 0.2 . 2 . . . . . . . . . 5565 1
154 . 1 1 12 12 PRO HD3 H 1 3.62 0.2 . 2 . . . . . . . . . 5565 1
155 . 1 1 12 12 PRO C C 13 176.67 0.2 . 1 . . . . . . . . . 5565 1
156 . 1 1 12 12 PRO CA C 13 62.44 0.2 . 1 . . . . . . . . . 5565 1
157 . 1 1 12 12 PRO CB C 13 31.47 0.2 . 1 . . . . . . . . . 5565 1
158 . 1 1 12 12 PRO CG C 13 26.32 0.2 . 1 . . . . . . . . . 5565 1
159 . 1 1 12 12 PRO CD C 13 50.21 0.2 . 1 . . . . . . . . . 5565 1
160 . 1 1 13 13 ASN H H 1 8.6 0.2 . 1 . . . . . . . . . 5565 1
161 . 1 1 13 13 ASN HA H 1 4.42 0.2 . 1 . . . . . . . . . 5565 1
162 . 1 1 13 13 ASN HB2 H 1 2.96 0.2 . 1 . . . . . . . . . 5565 1
163 . 1 1 13 13 ASN HB3 H 1 2.96 0.2 . 1 . . . . . . . . . 5565 1
164 . 1 1 13 13 ASN HD21 H 1 7.48 0.2 . 2 . . . . . . . . . 5565 1
165 . 1 1 13 13 ASN HD22 H 1 6.81 0.2 . 2 . . . . . . . . . 5565 1
166 . 1 1 13 13 ASN C C 13 173.86 0.2 . 1 . . . . . . . . . 5565 1
167 . 1 1 13 13 ASN CA C 13 53.22 0.2 . 1 . . . . . . . . . 5565 1
168 . 1 1 13 13 ASN CB C 13 36.7 0.2 . 1 . . . . . . . . . 5565 1
169 . 1 1 13 13 ASN N N 15 113.77 0.2 . 1 . . . . . . . . . 5565 1
170 . 1 1 13 13 ASN ND2 N 15 112.81 0.2 . 1 . . . . . . . . . 5565 1
171 . 1 1 14 14 GLU H H 1 7.58 0.2 . 1 . . . . . . . . . 5565 1
172 . 1 1 14 14 GLU HA H 1 4.83 0.2 . 1 . . . . . . . . . 5565 1
173 . 1 1 14 14 GLU HB2 H 1 1.67 0.2 . 1 . . . . . . . . . 5565 1
174 . 1 1 14 14 GLU HB3 H 1 1.67 0.2 . 1 . . . . . . . . . 5565 1
175 . 1 1 14 14 GLU HG2 H 1 1.93 0.2 . 1 . . . . . . . . . 5565 1
176 . 1 1 14 14 GLU HG3 H 1 1.93 0.2 . 1 . . . . . . . . . 5565 1
177 . 1 1 14 14 GLU C C 13 174.68 0.2 . 1 . . . . . . . . . 5565 1
178 . 1 1 14 14 GLU CA C 13 54.33 0.2 . 1 . . . . . . . . . 5565 1
179 . 1 1 14 14 GLU CB C 13 32.77 0.2 . 1 . . . . . . . . . 5565 1
180 . 1 1 14 14 GLU CG C 13 34.49 0.2 . 1 . . . . . . . . . 5565 1
181 . 1 1 14 14 GLU N N 15 116.27 0.2 . 1 . . . . . . . . . 5565 1
182 . 1 1 15 15 CYS H H 1 9.19 0.2 . 1 . . . . . . . . . 5565 1
183 . 1 1 15 15 CYS HA H 1 5.18 0.2 . 1 . . . . . . . . . 5565 1
184 . 1 1 15 15 CYS HB2 H 1 2.96 0.2 . 2 . . . . . . . . . 5565 1
185 . 1 1 15 15 CYS HB3 H 1 2.74 0.2 . 2 . . . . . . . . . 5565 1
186 . 1 1 15 15 CYS C C 13 173.76 0.2 . 1 . . . . . . . . . 5565 1
187 . 1 1 15 15 CYS CA C 13 55.5 0.2 . 1 . . . . . . . . . 5565 1
188 . 1 1 15 15 CYS CB C 13 42.26 0.2 . 1 . . . . . . . . . 5565 1
189 . 1 1 15 15 CYS N N 15 115.65 0.2 . 1 . . . . . . . . . 5565 1
190 . 1 1 16 16 GLN H H 1 8.35 0.2 . 1 . . . . . . . . . 5565 1
191 . 1 1 16 16 GLN HA H 1 5 0.2 . 1 . . . . . . . . . 5565 1
192 . 1 1 16 16 GLN HB2 H 1 1.86 0.2 . 2 . . . . . . . . . 5565 1
193 . 1 1 16 16 GLN HB3 H 1 1.77 0.2 . 2 . . . . . . . . . 5565 1
194 . 1 1 16 16 GLN HG2 H 1 2.26 0.2 . 1 . . . . . . . . . 5565 1
195 . 1 1 16 16 GLN HG3 H 1 2.26 0.2 . 1 . . . . . . . . . 5565 1
196 . 1 1 16 16 GLN HE21 H 1 7.46 0.2 . 2 . . . . . . . . . 5565 1
197 . 1 1 16 16 GLN HE22 H 1 6.69 0.2 . 2 . . . . . . . . . 5565 1
198 . 1 1 16 16 GLN C C 13 174.91 0.2 . 1 . . . . . . . . . 5565 1
199 . 1 1 16 16 GLN CA C 13 54.06 0.2 . 1 . . . . . . . . . 5565 1
200 . 1 1 16 16 GLN CB C 13 31 0.2 . 1 . . . . . . . . . 5565 1
201 . 1 1 16 16 GLN CG C 13 33.16 0.2 . 1 . . . . . . . . . 5565 1
202 . 1 1 16 16 GLN N N 15 122.52 0.2 . 1 . . . . . . . . . 5565 1
203 . 1 1 16 16 GLN NE2 N 15 111.18 0.2 . 1 . . . . . . . . . 5565 1
204 . 1 1 17 17 ASP H H 1 8.32 0.2 . 1 . . . . . . . . . 5565 1
205 . 1 1 17 17 ASP HA H 1 4.65 0.2 . 1 . . . . . . . . . 5565 1
206 . 1 1 17 17 ASP HB2 H 1 3.64 0.2 . 2 . . . . . . . . . 5565 1
207 . 1 1 17 17 ASP HB3 H 1 2.43 0.2 . 2 . . . . . . . . . 5565 1
208 . 1 1 17 17 ASP C C 13 177.15 0.2 . 1 . . . . . . . . . 5565 1
209 . 1 1 17 17 ASP CA C 13 51.7 0.2 . 1 . . . . . . . . . 5565 1
210 . 1 1 17 17 ASP CB C 13 41.2 0.2 . 1 . . . . . . . . . 5565 1
211 . 1 1 17 17 ASP N N 15 123.77 0.2 . 1 . . . . . . . . . 5565 1
212 . 1 1 18 18 LEU H H 1 8.23 0.2 . 1 . . . . . . . . . 5565 1
213 . 1 1 18 18 LEU HA H 1 4.16 0.2 . 1 . . . . . . . . . 5565 1
214 . 1 1 18 18 LEU HB2 H 1 1.78 0.2 . 2 . . . . . . . . . 5565 1
215 . 1 1 18 18 LEU HB3 H 1 1.67 0.2 . 2 . . . . . . . . . 5565 1
216 . 1 1 18 18 LEU HG H 1 1.77 0.2 . 1 . . . . . . . . . 5565 1
217 . 1 1 18 18 LEU HD11 H 1 0.98 0.2 . 2 . . . . . . . . . 5565 1
218 . 1 1 18 18 LEU HD12 H 1 0.98 0.2 . 2 . . . . . . . . . 5565 1
219 . 1 1 18 18 LEU HD13 H 1 0.98 0.2 . 2 . . . . . . . . . 5565 1
220 . 1 1 18 18 LEU HD21 H 1 0.9 0.2 . 2 . . . . . . . . . 5565 1
221 . 1 1 18 18 LEU HD22 H 1 0.9 0.2 . 2 . . . . . . . . . 5565 1
222 . 1 1 18 18 LEU HD23 H 1 0.9 0.2 . 2 . . . . . . . . . 5565 1
223 . 1 1 18 18 LEU C C 13 178.31 0.2 . 1 . . . . . . . . . 5565 1
224 . 1 1 18 18 LEU CA C 13 56.15 0.2 . 1 . . . . . . . . . 5565 1
225 . 1 1 18 18 LEU CB C 13 40.54 0.2 . 1 . . . . . . . . . 5565 1
226 . 1 1 18 18 LEU CG C 13 26.43 0.2 . 1 . . . . . . . . . 5565 1
227 . 1 1 18 18 LEU CD1 C 13 24.37 0.2 . 2 . . . . . . . . . 5565 1
228 . 1 1 18 18 LEU CD2 C 13 21.99 0.2 . 2 . . . . . . . . . 5565 1
229 . 1 1 18 18 LEU N N 15 116.27 0.2 . 1 . . . . . . . . . 5565 1
230 . 1 1 19 19 LYS H H 1 8.22 0.2 . 1 . . . . . . . . . 5565 1
231 . 1 1 19 19 LYS HA H 1 4.41 0.2 . 1 . . . . . . . . . 5565 1
232 . 1 1 19 19 LYS HB2 H 1 2.02 0.2 . 2 . . . . . . . . . 5565 1
233 . 1 1 19 19 LYS HB3 H 1 1.86 0.2 . 2 . . . . . . . . . 5565 1
234 . 1 1 19 19 LYS HG2 H 1 1.46 0.2 . 2 . . . . . . . . . 5565 1
235 . 1 1 19 19 LYS HG3 H 1 1.36 0.2 . 2 . . . . . . . . . 5565 1
236 . 1 1 19 19 LYS HD2 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1
237 . 1 1 19 19 LYS HD3 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1
238 . 1 1 19 19 LYS C C 13 176.74 0.2 . 1 . . . . . . . . . 5565 1
239 . 1 1 19 19 LYS CA C 13 54.29 0.2 . 1 . . . . . . . . . 5565 1
240 . 1 1 19 19 LYS CB C 13 31.28 0.2 . 1 . . . . . . . . . 5565 1
241 . 1 1 19 19 LYS CG C 13 24.08 0.2 . 1 . . . . . . . . . 5565 1
242 . 1 1 19 19 LYS CD C 13 27.66 0.2 . 1 . . . . . . . . . 5565 1
243 . 1 1 19 19 LYS CE C 13 41.25 0.2 . 1 . . . . . . . . . 5565 1
244 . 1 1 19 19 LYS N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1
245 . 1 1 20 20 GLY H H 1 7.92 0.2 . 1 . . . . . . . . . 5565 1
246 . 1 1 20 20 GLY HA2 H 1 3.5 0.2 . 2 . . . . . . . . . 5565 1
247 . 1 1 20 20 GLY HA3 H 1 4.11 0.2 . 2 . . . . . . . . . 5565 1
248 . 1 1 20 20 GLY C C 13 173.73 0.2 . 1 . . . . . . . . . 5565 1
249 . 1 1 20 20 GLY CA C 13 44.37 0.2 . 1 . . . . . . . . . 5565 1
250 . 1 1 20 20 GLY N N 15 107.52 0.2 . 1 . . . . . . . . . 5565 1
251 . 1 1 21 21 VAL H H 1 8.02 0.2 . 1 . . . . . . . . . 5565 1
252 . 1 1 21 21 VAL HA H 1 3.7 0.2 . 1 . . . . . . . . . 5565 1
253 . 1 1 21 21 VAL HB H 1 2.2 0.2 . 1 . . . . . . . . . 5565 1
254 . 1 1 21 21 VAL HG11 H 1 0.73 0.2 . 2 . . . . . . . . . 5565 1
255 . 1 1 21 21 VAL HG12 H 1 0.73 0.2 . 2 . . . . . . . . . 5565 1
256 . 1 1 21 21 VAL HG13 H 1 0.73 0.2 . 2 . . . . . . . . . 5565 1
257 . 1 1 21 21 VAL HG21 H 1 0.34 0.2 . 2 . . . . . . . . . 5565 1
258 . 1 1 21 21 VAL HG22 H 1 0.34 0.2 . 2 . . . . . . . . . 5565 1
259 . 1 1 21 21 VAL HG23 H 1 0.34 0.2 . 2 . . . . . . . . . 5565 1
260 . 1 1 21 21 VAL C C 13 175.67 0.2 . 1 . . . . . . . . . 5565 1
261 . 1 1 21 21 VAL CA C 13 61.61 0.2 . 1 . . . . . . . . . 5565 1
262 . 1 1 21 21 VAL CB C 13 30.59 0.2 . 1 . . . . . . . . . 5565 1
263 . 1 1 21 21 VAL CG1 C 13 19.8 0.2 . 2 . . . . . . . . . 5565 1
264 . 1 1 21 21 VAL CG2 C 13 18.55 0.2 . 2 . . . . . . . . . 5565 1
265 . 1 1 21 21 VAL N N 15 124.4 0.2 . 1 . . . . . . . . . 5565 1
266 . 1 1 22 22 SER H H 1 8.19 0.2 . 1 . . . . . . . . . 5565 1
267 . 1 1 22 22 SER HA H 1 4.92 0.2 . 1 . . . . . . . . . 5565 1
268 . 1 1 22 22 SER HB2 H 1 3.51 0.2 . 1 . . . . . . . . . 5565 1
269 . 1 1 22 22 SER HB3 H 1 3.51 0.2 . 1 . . . . . . . . . 5565 1
270 . 1 1 22 22 SER C C 13 173.41 0.2 . 1 . . . . . . . . . 5565 1
271 . 1 1 22 22 SER CA C 13 56.85 0.2 . 1 . . . . . . . . . 5565 1
272 . 1 1 22 22 SER CB C 13 63.19 0.2 . 1 . . . . . . . . . 5565 1
273 . 1 1 22 22 SER N N 15 122.52 0.2 . 1 . . . . . . . . . 5565 1
274 . 1 1 23 23 HIS H H 1 8.56 0.2 . 1 . . . . . . . . . 5565 1
275 . 1 1 23 23 HIS HA H 1 4.65 0.2 . 1 . . . . . . . . . 5565 1
276 . 1 1 23 23 HIS HB2 H 1 2.73 0.2 . 2 . . . . . . . . . 5565 1
277 . 1 1 23 23 HIS HB3 H 1 2.19 0.2 . 2 . . . . . . . . . 5565 1
278 . 1 1 23 23 HIS HE1 H 1 8.6 0.2 . 2 . . . . . . . . . 5565 1
279 . 1 1 23 23 HIS HD2 H 1 7.34 0.2 . 2 . . . . . . . . . 5565 1
280 . 1 1 23 23 HIS C C 13 171.98 0.2 . 1 . . . . . . . . . 5565 1
281 . 1 1 23 23 HIS CA C 13 51.33 0.2 . 1 . . . . . . . . . 5565 1
282 . 1 1 23 23 HIS CB C 13 30.74 0.2 . 1 . . . . . . . . . 5565 1
283 . 1 1 23 23 HIS CE1 C 13 136.74 0.2 . 1 . . . . . . . . . 5565 1
284 . 1 1 23 23 HIS CD2 C 13 120.58 0.2 . 1 . . . . . . . . . 5565 1
285 . 1 1 23 23 HIS N N 15 120.65 0.2 . 1 . . . . . . . . . 5565 1
286 . 1 1 24 24 PRO HA H 1 4.58 0.2 . 1 . . . . . . . . . 5565 1
287 . 1 1 24 24 PRO HB2 H 1 2.52 0.2 . 2 . . . . . . . . . 5565 1
288 . 1 1 24 24 PRO HB3 H 1 1.89 0.2 . 2 . . . . . . . . . 5565 1
289 . 1 1 24 24 PRO HG2 H 1 2.05 0.2 . 1 . . . . . . . . . 5565 1
290 . 1 1 24 24 PRO HG3 H 1 2.05 0.2 . 1 . . . . . . . . . 5565 1
291 . 1 1 24 24 PRO HD2 H 1 3.8 0.2 . 2 . . . . . . . . . 5565 1
292 . 1 1 24 24 PRO HD3 H 1 3.66 0.2 . 2 . . . . . . . . . 5565 1
293 . 1 1 24 24 PRO C C 13 177.59 0.2 . 1 . . . . . . . . . 5565 1
294 . 1 1 24 24 PRO CA C 13 61.61 0.2 . 1 . . . . . . . . . 5565 1
295 . 1 1 24 24 PRO CB C 13 32.14 0.2 . 1 . . . . . . . . . 5565 1
296 . 1 1 24 24 PRO CG C 13 26.6 0.2 . 1 . . . . . . . . . 5565 1
297 . 1 1 24 24 PRO CD C 13 50.09 0.2 . 1 . . . . . . . . . 5565 1
298 . 1 1 25 25 LEU H H 1 7.9 0.2 . 1 . . . . . . . . . 5565 1
299 . 1 1 25 25 LEU HA H 1 3.9 0.2 . 1 . . . . . . . . . 5565 1
300 . 1 1 25 25 LEU HB2 H 1 1.55 0.2 . 2 . . . . . . . . . 5565 1
301 . 1 1 25 25 LEU HB3 H 1 1.26 0.2 . 2 . . . . . . . . . 5565 1
302 . 1 1 25 25 LEU HG H 1 1.48 0.2 . 1 . . . . . . . . . 5565 1
303 . 1 1 25 25 LEU HD11 H 1 0.82 0.2 . 2 . . . . . . . . . 5565 1
304 . 1 1 25 25 LEU HD12 H 1 0.82 0.2 . 2 . . . . . . . . . 5565 1
305 . 1 1 25 25 LEU HD13 H 1 0.82 0.2 . 2 . . . . . . . . . 5565 1
306 . 1 1 25 25 LEU HD21 H 1 0.76 0.2 . 2 . . . . . . . . . 5565 1
307 . 1 1 25 25 LEU HD22 H 1 0.76 0.2 . 2 . . . . . . . . . 5565 1
308 . 1 1 25 25 LEU HD23 H 1 0.76 0.2 . 2 . . . . . . . . . 5565 1
309 . 1 1 25 25 LEU C C 13 176.94 0.2 . 1 . . . . . . . . . 5565 1
310 . 1 1 25 25 LEU CA C 13 56.48 0.2 . 1 . . . . . . . . . 5565 1
311 . 1 1 25 25 LEU CB C 13 41.32 0.2 . 1 . . . . . . . . . 5565 1
312 . 1 1 25 25 LEU CG C 13 25.76 0.2 . 1 . . . . . . . . . 5565 1
313 . 1 1 25 25 LEU CD1 C 13 24.27 0.2 . 2 . . . . . . . . . 5565 1
314 . 1 1 25 25 LEU CD2 C 13 22.65 0.2 . 2 . . . . . . . . . 5565 1
315 . 1 1 25 25 LEU N N 15 124.4 0.2 . 1 . . . . . . . . . 5565 1
316 . 1 1 26 26 ASN H H 1 8.76 0.2 . 1 . . . . . . . . . 5565 1
317 . 1 1 26 26 ASN HA H 1 4.4 0.2 . 1 . . . . . . . . . 5565 1
318 . 1 1 26 26 ASN HB2 H 1 3.25 0.2 . 2 . . . . . . . . . 5565 1
319 . 1 1 26 26 ASN HB3 H 1 2.98 0.2 . 2 . . . . . . . . . 5565 1
320 . 1 1 26 26 ASN HD21 H 1 7.57 0.2 . 2 . . . . . . . . . 5565 1
321 . 1 1 26 26 ASN HD22 H 1 6.87 0.2 . 2 . . . . . . . . . 5565 1
322 . 1 1 26 26 ASN C C 13 174.09 0.2 . 1 . . . . . . . . . 5565 1
323 . 1 1 26 26 ASN CA C 13 54.73 0.2 . 1 . . . . . . . . . 5565 1
324 . 1 1 26 26 ASN CB C 13 36.27 0.2 . 1 . . . . . . . . . 5565 1
325 . 1 1 26 26 ASN N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1
326 . 1 1 26 26 ASN ND2 N 15 112.98 0.2 . 1 . . . . . . . . . 5565 1
327 . 1 1 27 27 SER H H 1 8.05 0.2 . 1 . . . . . . . . . 5565 1
328 . 1 1 27 27 SER HA H 1 4.56 0.2 . 1 . . . . . . . . . 5565 1
329 . 1 1 27 27 SER HB2 H 1 4.21 0.2 . 2 . . . . . . . . . 5565 1
330 . 1 1 27 27 SER HB3 H 1 3.99 0.2 . 2 . . . . . . . . . 5565 1
331 . 1 1 27 27 SER C C 13 172.46 0.2 . 1 . . . . . . . . . 5565 1
332 . 1 1 27 27 SER CA C 13 58.08 0.2 . 1 . . . . . . . . . 5565 1
333 . 1 1 27 27 SER CB C 13 64.45 0.2 . 1 . . . . . . . . . 5565 1
334 . 1 1 27 27 SER N N 15 115.02 0.2 . 1 . . . . . . . . . 5565 1
335 . 1 1 28 28 VAL H H 1 8.2 0.2 . 1 . . . . . . . . . 5565 1
336 . 1 1 28 28 VAL HA H 1 5.29 0.2 . 1 . . . . . . . . . 5565 1
337 . 1 1 28 28 VAL HB H 1 1.79 0.2 . 1 . . . . . . . . . 5565 1
338 . 1 1 28 28 VAL HG11 H 1 0.72 0.2 . 2 . . . . . . . . . 5565 1
339 . 1 1 28 28 VAL HG12 H 1 0.72 0.2 . 2 . . . . . . . . . 5565 1
340 . 1 1 28 28 VAL HG13 H 1 0.72 0.2 . 2 . . . . . . . . . 5565 1
341 . 1 1 28 28 VAL HG21 H 1 0.85 0.2 . 2 . . . . . . . . . 5565 1
342 . 1 1 28 28 VAL HG22 H 1 0.85 0.2 . 2 . . . . . . . . . 5565 1
343 . 1 1 28 28 VAL HG23 H 1 0.85 0.2 . 2 . . . . . . . . . 5565 1
344 . 1 1 28 28 VAL C C 13 176.1 0.2 . 1 . . . . . . . . . 5565 1
345 . 1 1 28 28 VAL CA C 13 59.35 0.2 . 1 . . . . . . . . . 5565 1
346 . 1 1 28 28 VAL CB C 13 34.22 0.2 . 1 . . . . . . . . . 5565 1
347 . 1 1 28 28 VAL CG1 C 13 20 0.2 . 1 . . . . . . . . . 5565 1
348 . 1 1 28 28 VAL CG2 C 13 20 0.2 . 1 . . . . . . . . . 5565 1
349 . 1 1 28 28 VAL N N 15 119.4 0.2 . 1 . . . . . . . . . 5565 1
350 . 1 1 29 29 TRP H H 1 8.93 0.2 . 1 . . . . . . . . . 5565 1
351 . 1 1 29 29 TRP HA H 1 5.08 0.2 . 1 . . . . . . . . . 5565 1
352 . 1 1 29 29 TRP HB2 H 1 3.34 0.2 . 2 . . . . . . . . . 5565 1
353 . 1 1 29 29 TRP HB3 H 1 3.19 0.2 . 2 . . . . . . . . . 5565 1
354 . 1 1 29 29 TRP HE1 H 1 10.05 0.2 . 1 . . . . . . . . . 5565 1
355 . 1 1 29 29 TRP HD1 H 1 6.77 0.2 . 1 . . . . . . . . . 5565 1
356 . 1 1 29 29 TRP HE3 H 1 6.95 0.2 . 1 . . . . . . . . . 5565 1
357 . 1 1 29 29 TRP HZ3 H 1 6.69 0.2 . 1 . . . . . . . . . 5565 1
358 . 1 1 29 29 TRP HH2 H 1 6.24 0.2 . 1 . . . . . . . . . 5565 1
359 . 1 1 29 29 TRP HZ2 H 1 6.76 0.2 . 1 . . . . . . . . . 5565 1
360 . 1 1 29 29 TRP C C 13 172.39 0.2 . 1 . . . . . . . . . 5565 1
361 . 1 1 29 29 TRP CA C 13 55.63 0.2 . 1 . . . . . . . . . 5565 1
362 . 1 1 29 29 TRP CB C 13 31.09 0.2 . 1 . . . . . . . . . 5565 1
363 . 1 1 29 29 TRP CD1 C 13 126.89 0.2 . 1 . . . . . . . . . 5565 1
364 . 1 1 29 29 TRP CE3 C 13 123.5 0.2 . 1 . . . . . . . . . 5565 1
365 . 1 1 29 29 TRP CZ3 C 13 118.73 0.2 . 1 . . . . . . . . . 5565 1
366 . 1 1 29 29 TRP CH2 C 13 119.81 0.2 . 1 . . . . . . . . . 5565 1
367 . 1 1 29 29 TRP CZ2 C 13 112.9 0.2 . 1 . . . . . . . . . 5565 1
368 . 1 1 29 29 TRP N N 15 126.9 0.2 . 1 . . . . . . . . . 5565 1
369 . 1 1 29 29 TRP NE1 N 15 128.44 0.2 . 1 . . . . . . . . . 5565 1
370 . 1 1 30 30 LYS H H 1 8.5 0.2 . 1 . . . . . . . . . 5565 1
371 . 1 1 30 30 LYS HA H 1 5.19 0.2 . 1 . . . . . . . . . 5565 1
372 . 1 1 30 30 LYS HB2 H 1 1.93 0.2 . 2 . . . . . . . . . 5565 1
373 . 1 1 30 30 LYS HB3 H 1 1.75 0.2 . 2 . . . . . . . . . 5565 1
374 . 1 1 30 30 LYS HG2 H 1 1.52 0.2 . 2 . . . . . . . . . 5565 1
375 . 1 1 30 30 LYS HG3 H 1 1.41 0.2 . 2 . . . . . . . . . 5565 1
376 . 1 1 30 30 LYS HD2 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1
377 . 1 1 30 30 LYS HD3 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1
378 . 1 1 30 30 LYS C C 13 177.74 0.2 . 1 . . . . . . . . . 5565 1
379 . 1 1 30 30 LYS CA C 13 53.68 0.2 . 1 . . . . . . . . . 5565 1
380 . 1 1 30 30 LYS CB C 13 34.05 0.2 . 1 . . . . . . . . . 5565 1
381 . 1 1 30 30 LYS CG C 13 24.47 0.2 . 1 . . . . . . . . . 5565 1
382 . 1 1 30 30 LYS CD C 13 28.27 0.2 . 1 . . . . . . . . . 5565 1
383 . 1 1 30 30 LYS CE C 13 41.18 0.2 . 1 . . . . . . . . . 5565 1
384 . 1 1 30 30 LYS N N 15 119.4 0.2 . 1 . . . . . . . . . 5565 1
385 . 1 1 31 31 THR H H 1 8.46 0.2 . 1 . . . . . . . . . 5565 1
386 . 1 1 31 31 THR HA H 1 4.85 0.2 . 1 . . . . . . . . . 5565 1
387 . 1 1 31 31 THR HB H 1 4.64 0.2 . 1 . . . . . . . . . 5565 1
388 . 1 1 31 31 THR HG21 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1
389 . 1 1 31 31 THR HG22 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1
390 . 1 1 31 31 THR HG23 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1
391 . 1 1 31 31 THR C C 13 175.68 0.2 . 1 . . . . . . . . . 5565 1
392 . 1 1 31 31 THR CA C 13 58.83 0.2 . 1 . . . . . . . . . 5565 1
393 . 1 1 31 31 THR CB C 13 69.98 0.2 . 1 . . . . . . . . . 5565 1
394 . 1 1 31 31 THR CG2 C 13 19.77 0.2 . 1 . . . . . . . . . 5565 1
395 . 1 1 31 31 THR N N 15 113.15 0.2 . 1 . . . . . . . . . 5565 1
396 . 1 1 32 32 LYS HA H 1 4.39 0.2 . 1 . . . . . . . . . 5565 1
397 . 1 1 32 32 LYS HB2 H 1 2.01 0.2 . 2 . . . . . . . . . 5565 1
398 . 1 1 32 32 LYS HB3 H 1 1.86 0.2 . 2 . . . . . . . . . 5565 1
399 . 1 1 32 32 LYS HG2 H 1 1.46 0.2 . 1 . . . . . . . . . 5565 1
400 . 1 1 32 32 LYS HG3 H 1 1.46 0.2 . 1 . . . . . . . . . 5565 1
401 . 1 1 32 32 LYS HD2 H 1 1.64 0.2 . 1 . . . . . . . . . 5565 1
402 . 1 1 32 32 LYS HD3 H 1 1.64 0.2 . 1 . . . . . . . . . 5565 1
403 . 1 1 32 32 LYS C C 13 175.88 0.2 . 1 . . . . . . . . . 5565 1
404 . 1 1 32 32 LYS CA C 13 54.79 0.2 . 1 . . . . . . . . . 5565 1
405 . 1 1 32 32 LYS CB C 13 31.32 0.2 . 1 . . . . . . . . . 5565 1
406 . 1 1 32 32 LYS CG C 13 23.67 0.2 . 1 . . . . . . . . . 5565 1
407 . 1 1 32 32 LYS CD C 13 28.18 0.2 . 1 . . . . . . . . . 5565 1
408 . 1 1 33 33 ASP H H 1 7.9 0.2 . 1 . . . . . . . . . 5565 1
409 . 1 1 33 33 ASP HA H 1 4.7 0.2 . 1 . . . . . . . . . 5565 1
410 . 1 1 33 33 ASP HB2 H 1 2.8 0.2 . 2 . . . . . . . . . 5565 1
411 . 1 1 33 33 ASP HB3 H 1 2.3 0.2 . 2 . . . . . . . . . 5565 1
412 . 1 1 33 33 ASP C C 13 174.86 0.2 . 1 . . . . . . . . . 5565 1
413 . 1 1 33 33 ASP CA C 13 53.37 0.2 . 1 . . . . . . . . . 5565 1
414 . 1 1 33 33 ASP CB C 13 40 0.2 . 1 . . . . . . . . . 5565 1
415 . 1 1 33 33 ASP N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1
416 . 1 1 34 34 CYS H H 1 8.15 0.2 . 1 . . . . . . . . . 5565 1
417 . 1 1 34 34 CYS HA H 1 4.31 0.2 . 1 . . . . . . . . . 5565 1
418 . 1 1 34 34 CYS HB2 H 1 3.21 0.2 . 2 . . . . . . . . . 5565 1
419 . 1 1 34 34 CYS HB3 H 1 3.12 0.2 . 2 . . . . . . . . . 5565 1
420 . 1 1 34 34 CYS C C 13 174.07 0.2 . 1 . . . . . . . . . 5565 1
421 . 1 1 34 34 CYS CA C 13 54.84 0.2 . 1 . . . . . . . . . 5565 1
422 . 1 1 34 34 CYS CB C 13 34.75 0.2 . 1 . . . . . . . . . 5565 1
423 . 1 1 34 34 CYS N N 15 111.27 0.2 . 1 . . . . . . . . . 5565 1
424 . 1 1 35 35 GLU H H 1 7.18 0.2 . 1 . . . . . . . . . 5565 1
425 . 1 1 35 35 GLU HA H 1 5.09 0.2 . 1 . . . . . . . . . 5565 1
426 . 1 1 35 35 GLU HB2 H 1 1.63 0.2 . 1 . . . . . . . . . 5565 1
427 . 1 1 35 35 GLU HB3 H 1 1.63 0.2 . 1 . . . . . . . . . 5565 1
428 . 1 1 35 35 GLU HG2 H 1 1.95 0.2 . 1 . . . . . . . . . 5565 1
429 . 1 1 35 35 GLU HG3 H 1 1.95 0.2 . 1 . . . . . . . . . 5565 1
430 . 1 1 35 35 GLU C C 13 175.17 0.2 . 1 . . . . . . . . . 5565 1
431 . 1 1 35 35 GLU CA C 13 53.45 0.2 . 1 . . . . . . . . . 5565 1
432 . 1 1 35 35 GLU CB C 13 32.06 0.2 . 1 . . . . . . . . . 5565 1
433 . 1 1 35 35 GLU CG C 13 34.75 0.2 . 1 . . . . . . . . . 5565 1
434 . 1 1 35 35 GLU N N 15 116.27 0.2 . 1 . . . . . . . . . 5565 1
435 . 1 1 36 36 GLU H H 1 8.6 0.2 . 1 . . . . . . . . . 5565 1
436 . 1 1 36 36 GLU HA H 1 4.81 0.2 . 1 . . . . . . . . . 5565 1
437 . 1 1 36 36 GLU HB2 H 1 1.57 0.2 . 1 . . . . . . . . . 5565 1
438 . 1 1 36 36 GLU HB3 H 1 1.57 0.2 . 1 . . . . . . . . . 5565 1
439 . 1 1 36 36 GLU HG2 H 1 1.79 0.2 . 1 . . . . . . . . . 5565 1
440 . 1 1 36 36 GLU HG3 H 1 1.79 0.2 . 1 . . . . . . . . . 5565 1
441 . 1 1 36 36 GLU C C 13 175.69 0.2 . 1 . . . . . . . . . 5565 1
442 . 1 1 36 36 GLU CA C 13 53.89 0.2 . 1 . . . . . . . . . 5565 1
443 . 1 1 36 36 GLU CB C 13 31.09 0.2 . 1 . . . . . . . . . 5565 1
444 . 1 1 36 36 GLU CG C 13 35.93 0.2 . 1 . . . . . . . . . 5565 1
445 . 1 1 36 36 GLU N N 15 122.52 0.2 . 1 . . . . . . . . . 5565 1
446 . 1 1 37 37 CYS H H 1 8.93 0.2 . 1 . . . . . . . . . 5565 1
447 . 1 1 37 37 CYS HA H 1 5.44 0.2 . 1 . . . . . . . . . 5565 1
448 . 1 1 37 37 CYS HB2 H 1 1.59 0.2 . 2 . . . . . . . . . 5565 1
449 . 1 1 37 37 CYS HB3 H 1 0.56 0.2 . 2 . . . . . . . . . 5565 1
450 . 1 1 37 37 CYS C C 13 170.73 0.2 . 1 . . . . . . . . . 5565 1
451 . 1 1 37 37 CYS CA C 13 53.89 0.2 . 1 . . . . . . . . . 5565 1
452 . 1 1 37 37 CYS CB C 13 46.1 0.2 . 1 . . . . . . . . . 5565 1
453 . 1 1 37 37 CYS N N 15 126.27 0.2 . 1 . . . . . . . . . 5565 1
454 . 1 1 38 38 THR H H 1 8.53 0.2 . 1 . . . . . . . . . 5565 1
455 . 1 1 38 38 THR HA H 1 5.02 0.2 . 1 . . . . . . . . . 5565 1
456 . 1 1 38 38 THR HB H 1 3.75 0.2 . 1 . . . . . . . . . 5565 1
457 . 1 1 38 38 THR HG21 H 1 0.95 0.2 . 1 . . . . . . . . . 5565 1
458 . 1 1 38 38 THR HG22 H 1 0.95 0.2 . 1 . . . . . . . . . 5565 1
459 . 1 1 38 38 THR HG23 H 1 0.95 0.2 . 1 . . . . . . . . . 5565 1
460 . 1 1 38 38 THR C C 13 173.61 0.2 . 1 . . . . . . . . . 5565 1
461 . 1 1 38 38 THR CA C 13 58.83 0.2 . 1 . . . . . . . . . 5565 1
462 . 1 1 38 38 THR CB C 13 70.31 0.2 . 1 . . . . . . . . . 5565 1
463 . 1 1 38 38 THR CG2 C 13 19.21 0.2 . 1 . . . . . . . . . 5565 1
464 . 1 1 38 38 THR N N 15 112.52 0.2 . 1 . . . . . . . . . 5565 1
465 . 1 1 39 39 CYS H H 1 8.24 0.2 . 1 . . . . . . . . . 5565 1
466 . 1 1 39 39 CYS HA H 1 5.09 0.2 . 1 . . . . . . . . . 5565 1
467 . 1 1 39 39 CYS HB2 H 1 3.13 0.2 . 1 . . . . . . . . . 5565 1
468 . 1 1 39 39 CYS HB3 H 1 3.13 0.2 . 1 . . . . . . . . . 5565 1
469 . 1 1 39 39 CYS C C 13 173.46 0.2 . 1 . . . . . . . . . 5565 1
470 . 1 1 39 39 CYS CA C 13 53.89 0.2 . 1 . . . . . . . . . 5565 1
471 . 1 1 39 39 CYS CB C 13 36.42 0.2 . 1 . . . . . . . . . 5565 1
472 . 1 1 39 39 CYS N N 15 123.15 0.2 . 1 . . . . . . . . . 5565 1
473 . 1 1 40 40 GLY H H 1 8.12 0.2 . 1 . . . . . . . . . 5565 1
474 . 1 1 40 40 GLY HA2 H 1 3.85 0.2 . 2 . . . . . . . . . 5565 1
475 . 1 1 40 40 GLY HA3 H 1 4.7 0.2 . 2 . . . . . . . . . 5565 1
476 . 1 1 40 40 GLY C C 13 172.4 0.2 . 1 . . . . . . . . . 5565 1
477 . 1 1 40 40 GLY CA C 13 42.78 0.2 . 1 . . . . . . . . . 5565 1
478 . 1 1 40 40 GLY N N 15 118.77 0.2 . 1 . . . . . . . . . 5565 1
479 . 1 1 41 41 GLN H H 1 8.45 0.2 . 1 . . . . . . . . . 5565 1
480 . 1 1 41 41 GLN HA H 1 3.86 0.2 . 1 . . . . . . . . . 5565 1
481 . 1 1 41 41 GLN HB2 H 1 1.99 0.2 . 1 . . . . . . . . . 5565 1
482 . 1 1 41 41 GLN HB3 H 1 1.99 0.2 . 1 . . . . . . . . . 5565 1
483 . 1 1 41 41 GLN HG2 H 1 2.37 0.2 . 1 . . . . . . . . . 5565 1
484 . 1 1 41 41 GLN HG3 H 1 2.37 0.2 . 1 . . . . . . . . . 5565 1
485 . 1 1 41 41 GLN HE21 H 1 7.48 0.2 . 2 . . . . . . . . . 5565 1
486 . 1 1 41 41 GLN HE22 H 1 6.87 0.2 . 2 . . . . . . . . . 5565 1
487 . 1 1 41 41 GLN C C 13 177.14 0.2 . 1 . . . . . . . . . 5565 1
488 . 1 1 41 41 GLN CA C 13 57.91 0.2 . 1 . . . . . . . . . 5565 1
489 . 1 1 41 41 GLN CB C 13 28.12 0.2 . 1 . . . . . . . . . 5565 1
490 . 1 1 41 41 GLN CG C 13 33.04 0.2 . 1 . . . . . . . . . 5565 1
491 . 1 1 41 41 GLN N N 15 116.9 0.2 . 1 . . . . . . . . . 5565 1
492 . 1 1 41 41 GLN NE2 N 15 111.9 0.2 . 1 . . . . . . . . . 5565 1
493 . 1 1 42 42 ASP H H 1 8.62 0.2 . 1 . . . . . . . . . 5565 1
494 . 1 1 42 42 ASP HA H 1 4.89 0.2 . 1 . . . . . . . . . 5565 1
495 . 1 1 42 42 ASP HB2 H 1 2.84 0.2 . 2 . . . . . . . . . 5565 1
496 . 1 1 42 42 ASP HB3 H 1 2.67 0.2 . 2 . . . . . . . . . 5565 1
497 . 1 1 42 42 ASP C C 13 175.26 0.2 . 1 . . . . . . . . . 5565 1
498 . 1 1 42 42 ASP CA C 13 52.65 0.2 . 1 . . . . . . . . . 5565 1
499 . 1 1 42 42 ASP CB C 13 38.93 0.2 . 1 . . . . . . . . . 5565 1
500 . 1 1 42 42 ASP N N 15 112.52 0.2 . 1 . . . . . . . . . 5565 1
501 . 1 1 43 43 ALA H H 1 7.45 0.2 . 1 . . . . . . . . . 5565 1
502 . 1 1 43 43 ALA HA H 1 4.73 0.2 . 1 . . . . . . . . . 5565 1
503 . 1 1 43 43 ALA HB1 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1
504 . 1 1 43 43 ALA HB2 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1
505 . 1 1 43 43 ALA HB3 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1
506 . 1 1 43 43 ALA C C 13 176.14 0.2 . 1 . . . . . . . . . 5565 1
507 . 1 1 43 43 ALA CA C 13 51.35 0.2 . 1 . . . . . . . . . 5565 1
508 . 1 1 43 43 ALA CB C 13 21.29 0.2 . 1 . . . . . . . . . 5565 1
509 . 1 1 43 43 ALA N N 15 120.02 0.2 . 1 . . . . . . . . . 5565 1
510 . 1 1 44 44 ILE H H 1 8.85 0.2 . 1 . . . . . . . . . 5565 1
511 . 1 1 44 44 ILE HA H 1 4.79 0.2 . 1 . . . . . . . . . 5565 1
512 . 1 1 44 44 ILE HB H 1 1.95 0.2 . 1 . . . . . . . . . 5565 1
513 . 1 1 44 44 ILE HG12 H 1 1.89 0.2 . 2 . . . . . . . . . 5565 1
514 . 1 1 44 44 ILE HG13 H 1 1.09 0.2 . 2 . . . . . . . . . 5565 1
515 . 1 1 44 44 ILE HG21 H 1 0.91 0.2 . 1 . . . . . . . . . 5565 1
516 . 1 1 44 44 ILE HG22 H 1 0.91 0.2 . 1 . . . . . . . . . 5565 1
517 . 1 1 44 44 ILE HG23 H 1 0.91 0.2 . 1 . . . . . . . . . 5565 1
518 . 1 1 44 44 ILE HD11 H 1 0.98 0.2 . 1 . . . . . . . . . 5565 1
519 . 1 1 44 44 ILE HD12 H 1 0.98 0.2 . 1 . . . . . . . . . 5565 1
520 . 1 1 44 44 ILE HD13 H 1 0.98 0.2 . 1 . . . . . . . . . 5565 1
521 . 1 1 44 44 ILE C C 13 175.3 0.2 . 1 . . . . . . . . . 5565 1
522 . 1 1 44 44 ILE CA C 13 60.02 0.2 . 1 . . . . . . . . . 5565 1
523 . 1 1 44 44 ILE CB C 13 39.66 0.2 . 1 . . . . . . . . . 5565 1
524 . 1 1 44 44 ILE CG1 C 13 28.75 0.2 . 1 . . . . . . . . . 5565 1
525 . 1 1 44 44 ILE CG2 C 13 18.82 0.2 . 1 . . . . . . . . . 5565 1
526 . 1 1 44 44 ILE CD1 C 13 14.14 0.2 . 1 . . . . . . . . . 5565 1
527 . 1 1 44 44 ILE N N 15 121.9 0.2 . 1 . . . . . . . . . 5565 1
528 . 1 1 45 45 SER H H 1 8.35 0.2 . 1 . . . . . . . . . 5565 1
529 . 1 1 45 45 SER HA H 1 4.99 0.2 . 1 . . . . . . . . . 5565 1
530 . 1 1 45 45 SER HB2 H 1 3.49 0.2 . 1 . . . . . . . . . 5565 1
531 . 1 1 45 45 SER HB3 H 1 3.49 0.2 . 1 . . . . . . . . . 5565 1
532 . 1 1 45 45 SER C C 13 174.45 0.2 . 1 . . . . . . . . . 5565 1
533 . 1 1 45 45 SER CA C 13 54.2 0.2 . 1 . . . . . . . . . 5565 1
534 . 1 1 45 45 SER CB C 13 63.38 0.2 . 1 . . . . . . . . . 5565 1
535 . 1 1 45 45 SER N N 15 120.65 0.2 . 1 . . . . . . . . . 5565 1
536 . 1 1 46 46 CYS H H 1 8.47 0.2 . 1 . . . . . . . . . 5565 1
537 . 1 1 46 46 CYS HA H 1 5.16 0.2 . 1 . . . . . . . . . 5565 1
538 . 1 1 46 46 CYS HB2 H 1 2.18 0.2 . 2 . . . . . . . . . 5565 1
539 . 1 1 46 46 CYS HB3 H 1 1.72 0.2 . 2 . . . . . . . . . 5565 1
540 . 1 1 46 46 CYS C C 13 172.8 0.2 . 1 . . . . . . . . . 5565 1
541 . 1 1 46 46 CYS CA C 13 53.85 0.2 . 1 . . . . . . . . . 5565 1
542 . 1 1 46 46 CYS CB C 13 46.51 0.2 . 1 . . . . . . . . . 5565 1
543 . 1 1 46 46 CYS N N 15 123.77 0.2 . 1 . . . . . . . . . 5565 1
544 . 1 1 47 47 CYS H H 1 8.6 0.2 . 1 . . . . . . . . . 5565 1
545 . 1 1 47 47 CYS HA H 1 5.25 0.2 . 1 . . . . . . . . . 5565 1
546 . 1 1 47 47 CYS HB2 H 1 2.75 0.2 . 2 . . . . . . . . . 5565 1
547 . 1 1 47 47 CYS HB3 H 1 2.68 0.2 . 2 . . . . . . . . . 5565 1
548 . 1 1 47 47 CYS C C 13 173.63 0.2 . 1 . . . . . . . . . 5565 1
549 . 1 1 47 47 CYS CA C 13 53.85 0.2 . 1 . . . . . . . . . 5565 1
550 . 1 1 47 47 CYS CB C 13 47.22 0.2 . 1 . . . . . . . . . 5565 1
551 . 1 1 47 47 CYS N N 15 117.52 0.2 . 1 . . . . . . . . . 5565 1
552 . 1 1 48 48 ASN H H 1 8.54 0.2 . 1 . . . . . . . . . 5565 1
553 . 1 1 48 48 ASN HA H 1 4.87 0.2 . 1 . . . . . . . . . 5565 1
554 . 1 1 48 48 ASN HB2 H 1 2.98 0.2 . 1 . . . . . . . . . 5565 1
555 . 1 1 48 48 ASN HB3 H 1 2.98 0.2 . 1 . . . . . . . . . 5565 1
556 . 1 1 48 48 ASN HD21 H 1 7.53 0.2 . 2 . . . . . . . . . 5565 1
557 . 1 1 48 48 ASN HD22 H 1 6.84 0.2 . 2 . . . . . . . . . 5565 1
558 . 1 1 48 48 ASN C C 13 176.13 0.2 . 1 . . . . . . . . . 5565 1
559 . 1 1 48 48 ASN CA C 13 53.25 0.2 . 1 . . . . . . . . . 5565 1
560 . 1 1 48 48 ASN CB C 13 38.61 0.2 . 1 . . . . . . . . . 5565 1
561 . 1 1 48 48 ASN N N 15 121.9 0.2 . 1 . . . . . . . . . 5565 1
562 . 1 1 48 48 ASN ND2 N 15 112.6 0.2 . 1 . . . . . . . . . 5565 1
563 . 1 1 49 49 THR H H 1 8.35 0.2 . 1 . . . . . . . . . 5565 1
564 . 1 1 49 49 THR HA H 1 4.32 0.2 . 1 . . . . . . . . . 5565 1
565 . 1 1 49 49 THR HB H 1 4.29 0.2 . 1 . . . . . . . . . 5565 1
566 . 1 1 49 49 THR HG21 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1
567 . 1 1 49 49 THR HG22 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1
568 . 1 1 49 49 THR HG23 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1
569 . 1 1 49 49 THR C C 13 174.57 0.2 . 1 . . . . . . . . . 5565 1
570 . 1 1 49 49 THR CA C 13 60.73 0.2 . 1 . . . . . . . . . 5565 1
571 . 1 1 49 49 THR CB C 13 68.15 0.2 . 1 . . . . . . . . . 5565 1
572 . 1 1 49 49 THR CG2 C 13 21.37 0.2 . 1 . . . . . . . . . 5565 1
573 . 1 1 49 49 THR N N 15 115.02 0.2 . 1 . . . . . . . . . 5565 1
574 . 1 1 50 50 ALA H H 1 8 0.2 . 1 . . . . . . . . . 5565 1
575 . 1 1 50 50 ALA HA H 1 4.48 0.2 . 1 . . . . . . . . . 5565 1
576 . 1 1 50 50 ALA HB1 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1
577 . 1 1 50 50 ALA HB2 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1
578 . 1 1 50 50 ALA HB3 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1
579 . 1 1 50 50 ALA C C 13 176.59 0.2 . 1 . . . . . . . . . 5565 1
580 . 1 1 50 50 ALA CA C 13 50.76 0.2 . 1 . . . . . . . . . 5565 1
581 . 1 1 50 50 ALA CB C 13 19.76 0.2 . 1 . . . . . . . . . 5565 1
582 . 1 1 50 50 ALA N N 15 126.27 0.2 . 1 . . . . . . . . . 5565 1
583 . 1 1 51 51 ALA H H 1 8.37 0.2 . 1 . . . . . . . . . 5565 1
584 . 1 1 51 51 ALA HA H 1 4.42 0.2 . 1 . . . . . . . . . 5565 1
585 . 1 1 51 51 ALA HB1 H 1 1.37 0.2 . 1 . . . . . . . . . 5565 1
586 . 1 1 51 51 ALA HB2 H 1 1.37 0.2 . 1 . . . . . . . . . 5565 1
587 . 1 1 51 51 ALA HB3 H 1 1.37 0.2 . 1 . . . . . . . . . 5565 1
588 . 1 1 51 51 ALA C C 13 177.55 0.2 . 1 . . . . . . . . . 5565 1
589 . 1 1 51 51 ALA CA C 13 51.61 0.2 . 1 . . . . . . . . . 5565 1
590 . 1 1 51 51 ALA CB C 13 18.49 0.2 . 1 . . . . . . . . . 5565 1
591 . 1 1 51 51 ALA N N 15 125.65 0.2 . 1 . . . . . . . . . 5565 1
592 . 1 1 52 52 ILE H H 1 8.88 0.2 . 1 . . . . . . . . . 5565 1
593 . 1 1 52 52 ILE HA H 1 4.3 0.2 . 1 . . . . . . . . . 5565 1
594 . 1 1 52 52 ILE HB H 1 1.81 0.2 . 1 . . . . . . . . . 5565 1
595 . 1 1 52 52 ILE HG12 H 1 1.14 0.2 . 1 . . . . . . . . . 5565 1
596 . 1 1 52 52 ILE HG13 H 1 1.14 0.2 . 1 . . . . . . . . . 5565 1
597 . 1 1 52 52 ILE HG21 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1
598 . 1 1 52 52 ILE HG22 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1
599 . 1 1 52 52 ILE HG23 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1
600 . 1 1 52 52 ILE HD11 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1
601 . 1 1 52 52 ILE HD12 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1
602 . 1 1 52 52 ILE HD13 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1
603 . 1 1 52 52 ILE C C 13 174.41 0.2 . 1 . . . . . . . . . 5565 1
604 . 1 1 52 52 ILE CA C 13 57.13 0.2 . 1 . . . . . . . . . 5565 1
605 . 1 1 52 52 ILE CB C 13 39.1 0.2 . 1 . . . . . . . . . 5565 1
606 . 1 1 52 52 ILE CG1 C 13 26.05 0.2 . 1 . . . . . . . . . 5565 1
607 . 1 1 52 52 ILE CG2 C 13 15.99 0.2 . 1 . . . . . . . . . 5565 1
608 . 1 1 52 52 ILE CD1 C 13 12.3 0.2 . 1 . . . . . . . . . 5565 1
609 . 1 1 52 52 ILE N N 15 124.4 0.2 . 1 . . . . . . . . . 5565 1
610 . 1 1 53 53 PRO HA H 1 4.06 0.2 . 1 . . . . . . . . . 5565 1
611 . 1 1 53 53 PRO HB2 H 1 1.22 0.2 . 2 . . . . . . . . . 5565 1
612 . 1 1 53 53 PRO HB3 H 1 1.06 0.2 . 2 . . . . . . . . . 5565 1
613 . 1 1 53 53 PRO HG2 H 1 1.67 0.2 . 2 . . . . . . . . . 5565 1
614 . 1 1 53 53 PRO HG3 H 1 1.37 0.2 . 2 . . . . . . . . . 5565 1
615 . 1 1 53 53 PRO HD2 H 1 3.77 0.2 . 2 . . . . . . . . . 5565 1
616 . 1 1 53 53 PRO HD3 H 1 3.12 0.2 . 2 . . . . . . . . . 5565 1
617 . 1 1 53 53 PRO C C 13 175.78 0.2 . 1 . . . . . . . . . 5565 1
618 . 1 1 53 53 PRO CA C 13 60.7 0.2 . 1 . . . . . . . . . 5565 1
619 . 1 1 53 53 PRO CB C 13 31.4 0.2 . 1 . . . . . . . . . 5565 1
620 . 1 1 53 53 PRO CG C 13 26.06 0.2 . 1 . . . . . . . . . 5565 1
621 . 1 1 53 53 PRO CD C 13 49.2 0.2 . 1 . . . . . . . . . 5565 1
622 . 1 1 54 54 THR H H 1 8.22 0.2 . 1 . . . . . . . . . 5565 1
623 . 1 1 54 54 THR HA H 1 4.46 0.2 . 1 . . . . . . . . . 5565 1
624 . 1 1 54 54 THR HB H 1 3.91 0.2 . 1 . . . . . . . . . 5565 1
625 . 1 1 54 54 THR HG21 H 1 0.85 0.2 . 1 . . . . . . . . . 5565 1
626 . 1 1 54 54 THR HG22 H 1 0.85 0.2 . 1 . . . . . . . . . 5565 1
627 . 1 1 54 54 THR HG23 H 1 0.85 0.2 . 1 . . . . . . . . . 5565 1
628 . 1 1 54 54 THR C C 13 174.04 0.2 . 1 . . . . . . . . . 5565 1
629 . 1 1 54 54 THR CA C 13 59 0.2 . 1 . . . . . . . . . 5565 1
630 . 1 1 54 54 THR CB C 13 69.94 0.2 . 1 . . . . . . . . . 5565 1
631 . 1 1 54 54 THR CG2 C 13 19.96 0.2 . 1 . . . . . . . . . 5565 1
632 . 1 1 54 54 THR N N 15 112.52 0.2 . 1 . . . . . . . . . 5565 1
633 . 1 1 55 55 GLY H H 1 8.11 0.2 . 1 . . . . . . . . . 5565 1
634 . 1 1 55 55 GLY HA2 H 1 3.61 0.2 . 2 . . . . . . . . . 5565 1
635 . 1 1 55 55 GLY HA3 H 1 4.14 0.2 . 2 . . . . . . . . . 5565 1
636 . 1 1 55 55 GLY C C 13 173.52 0.2 . 1 . . . . . . . . . 5565 1
637 . 1 1 55 55 GLY CA C 13 45.51 0.2 . 1 . . . . . . . . . 5565 1
638 . 1 1 55 55 GLY N N 15 109.4 0.2 . 1 . . . . . . . . . 5565 1
639 . 1 1 56 56 TYR H H 1 6.91 0.2 . 1 . . . . . . . . . 5565 1
640 . 1 1 56 56 TYR HA H 1 4.9 0.2 . 1 . . . . . . . . . 5565 1
641 . 1 1 56 56 TYR HB2 H 1 2.8 0.2 . 1 . . . . . . . . . 5565 1
642 . 1 1 56 56 TYR HB3 H 1 2.8 0.2 . 1 . . . . . . . . . 5565 1
643 . 1 1 56 56 TYR HD1 H 1 6.35 0.2 . 1 . . . . . . . . . 5565 1
644 . 1 1 56 56 TYR HE1 H 1 6.42 0.2 . 1 . . . . . . . . . 5565 1
645 . 1 1 56 56 TYR HE2 H 1 6.42 0.2 . 1 . . . . . . . . . 5565 1
646 . 1 1 56 56 TYR HD2 H 1 6.35 0.2 . 1 . . . . . . . . . 5565 1
647 . 1 1 56 56 TYR C C 13 173.8 0.2 . 1 . . . . . . . . . 5565 1
648 . 1 1 56 56 TYR CA C 13 53.25 0.2 . 1 . . . . . . . . . 5565 1
649 . 1 1 56 56 TYR CB C 13 40.25 0.2 . 1 . . . . . . . . . 5565 1
650 . 1 1 56 56 TYR CD1 C 13 133.26 0.2 . 1 . . . . . . . . . 5565 1
651 . 1 1 56 56 TYR CE1 C 13 117.67 0.2 . 1 . . . . . . . . . 5565 1
652 . 1 1 56 56 TYR CD2 C 13 133.26 0.2 . 1 . . . . . . . . . 5565 1
653 . 1 1 56 56 TYR CE2 C 13 117.67 0.2 . 1 . . . . . . . . . 5565 1
654 . 1 1 56 56 TYR N N 15 115.02 0.2 . 1 . . . . . . . . . 5565 1
655 . 1 1 57 57 ASP H H 1 8.18 0.2 . 1 . . . . . . . . . 5565 1
656 . 1 1 57 57 ASP HA H 1 4.57 0.2 . 1 . . . . . . . . . 5565 1
657 . 1 1 57 57 ASP HB2 H 1 2.64 0.2 . 1 . . . . . . . . . 5565 1
658 . 1 1 57 57 ASP HB3 H 1 2.64 0.2 . 1 . . . . . . . . . 5565 1
659 . 1 1 57 57 ASP C C 13 172.51 0.2 . 1 . . . . . . . . . 5565 1
660 . 1 1 57 57 ASP CA C 13 53.6 0.2 . 1 . . . . . . . . . 5565 1
661 . 1 1 57 57 ASP CB C 13 40.13 0.2 . 1 . . . . . . . . . 5565 1
662 . 1 1 57 57 ASP N N 15 120.02 0.2 . 1 . . . . . . . . . 5565 1
663 . 1 1 58 58 THR H H 1 8.05 0.2 . 1 . . . . . . . . . 5565 1
664 . 1 1 58 58 THR HA H 1 4.16 0.2 . 1 . . . . . . . . . 5565 1
665 . 1 1 58 58 THR HB H 1 4.35 0.2 . 1 . . . . . . . . . 5565 1
666 . 1 1 58 58 THR HG21 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1
667 . 1 1 58 58 THR HG22 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1
668 . 1 1 58 58 THR HG23 H 1 0.88 0.2 . 1 . . . . . . . . . 5565 1
669 . 1 1 58 58 THR C C 13 175.95 0.2 . 1 . . . . . . . . . 5565 1
670 . 1 1 58 58 THR CA C 13 62.35 0.2 . 1 . . . . . . . . . 5565 1
671 . 1 1 58 58 THR CB C 13 67.61 0.2 . 1 . . . . . . . . . 5565 1
672 . 1 1 58 58 THR CG2 C 13 20.8 0.2 . 1 . . . . . . . . . 5565 1
673 . 1 1 58 58 THR N N 15 118.77 0.2 . 1 . . . . . . . . . 5565 1
674 . 1 1 59 59 ASN H H 1 8.48 0.2 . 1 . . . . . . . . . 5565 1
675 . 1 1 59 59 ASN HA H 1 4.65 0.2 . 1 . . . . . . . . . 5565 1
676 . 1 1 59 59 ASN HB2 H 1 2.93 0.2 . 2 . . . . . . . . . 5565 1
677 . 1 1 59 59 ASN HB3 H 1 2.79 0.2 . 2 . . . . . . . . . 5565 1
678 . 1 1 59 59 ASN HD21 H 1 7.85 0.2 . 2 . . . . . . . . . 5565 1
679 . 1 1 59 59 ASN HD22 H 1 6.94 0.2 . 2 . . . . . . . . . 5565 1
680 . 1 1 59 59 ASN C C 13 177.75 0.2 . 1 . . . . . . . . . 5565 1
681 . 1 1 59 59 ASN CA C 13 54.37 0.2 . 1 . . . . . . . . . 5565 1
682 . 1 1 59 59 ASN CB C 13 38.04 0.2 . 1 . . . . . . . . . 5565 1
683 . 1 1 59 59 ASN N N 15 118.77 0.2 . 1 . . . . . . . . . 5565 1
684 . 1 1 59 59 ASN ND2 N 15 115.01 0.2 . 1 . . . . . . . . . 5565 1
685 . 1 1 60 60 LYS H H 1 7.6 0.2 . 1 . . . . . . . . . 5565 1
686 . 1 1 60 60 LYS HA H 1 4.25 0.2 . 1 . . . . . . . . . 5565 1
687 . 1 1 60 60 LYS HB2 H 1 1.75 0.2 . 1 . . . . . . . . . 5565 1
688 . 1 1 60 60 LYS HB3 H 1 1.75 0.2 . 1 . . . . . . . . . 5565 1
689 . 1 1 60 60 LYS HG2 H 1 1.46 0.2 . 1 . . . . . . . . . 5565 1
690 . 1 1 60 60 LYS HG3 H 1 1.46 0.2 . 1 . . . . . . . . . 5565 1
691 . 1 1 60 60 LYS HD2 H 1 1.65 0.2 . 1 . . . . . . . . . 5565 1
692 . 1 1 60 60 LYS HD3 H 1 1.65 0.2 . 1 . . . . . . . . . 5565 1
693 . 1 1 60 60 LYS C C 13 177.17 0.2 . 1 . . . . . . . . . 5565 1
694 . 1 1 60 60 LYS CA C 13 56.49 0.2 . 1 . . . . . . . . . 5565 1
695 . 1 1 60 60 LYS CB C 13 34.97 0.2 . 1 . . . . . . . . . 5565 1
696 . 1 1 60 60 LYS CG C 13 24.66 0.2 . 1 . . . . . . . . . 5565 1
697 . 1 1 60 60 LYS CD C 13 28.38 0.2 . 1 . . . . . . . . . 5565 1
698 . 1 1 60 60 LYS CE C 13 40.95 0.2 . 1 . . . . . . . . . 5565 1
699 . 1 1 60 60 LYS N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1
700 . 1 1 61 61 CYS H H 1 8.27 0.2 . 1 . . . . . . . . . 5565 1
701 . 1 1 61 61 CYS HA H 1 5.41 0.2 . 1 . . . . . . . . . 5565 1
702 . 1 1 61 61 CYS HB2 H 1 3.57 0.2 . 2 . . . . . . . . . 5565 1
703 . 1 1 61 61 CYS HB3 H 1 2.59 0.2 . 2 . . . . . . . . . 5565 1
704 . 1 1 61 61 CYS C C 13 171.35 0.2 . 1 . . . . . . . . . 5565 1
705 . 1 1 61 61 CYS CA C 13 55.62 0.2 . 1 . . . . . . . . . 5565 1
706 . 1 1 61 61 CYS CB C 13 49.02 0.2 . 1 . . . . . . . . . 5565 1
707 . 1 1 61 61 CYS N N 15 116.9 0.2 . 1 . . . . . . . . . 5565 1
708 . 1 1 62 62 GLN H H 1 9.42 0.2 . 1 . . . . . . . . . 5565 1
709 . 1 1 62 62 GLN HA H 1 4.79 0.2 . 1 . . . . . . . . . 5565 1
710 . 1 1 62 62 GLN HB2 H 1 1.72 0.2 . 1 . . . . . . . . . 5565 1
711 . 1 1 62 62 GLN HB3 H 1 1.72 0.2 . 1 . . . . . . . . . 5565 1
712 . 1 1 62 62 GLN HG2 H 1 2.05 0.2 . 1 . . . . . . . . . 5565 1
713 . 1 1 62 62 GLN HG3 H 1 2.05 0.2 . 1 . . . . . . . . . 5565 1
714 . 1 1 62 62 GLN HE21 H 1 6.99 0.2 . 2 . . . . . . . . . 5565 1
715 . 1 1 62 62 GLN HE22 H 1 6.86 0.2 . 2 . . . . . . . . . 5565 1
716 . 1 1 62 62 GLN C C 13 172.7 0.2 . 1 . . . . . . . . . 5565 1
717 . 1 1 62 62 GLN CA C 13 52.31 0.2 . 1 . . . . . . . . . 5565 1
718 . 1 1 62 62 GLN CB C 13 31.19 0.2 . 1 . . . . . . . . . 5565 1
719 . 1 1 62 62 GLN CG C 13 31.19 0.2 . 1 . . . . . . . . . 5565 1
720 . 1 1 62 62 GLN N N 15 116.9 0.2 . 1 . . . . . . . . . 5565 1
721 . 1 1 62 62 GLN NE2 N 15 110.89 0.2 . 1 . . . . . . . . . 5565 1
722 . 1 1 63 63 LYS H H 1 8.35 0.2 . 1 . . . . . . . . . 5565 1
723 . 1 1 63 63 LYS HA H 1 5.25 0.2 . 1 . . . . . . . . . 5565 1
724 . 1 1 63 63 LYS HB2 H 1 1.46 0.2 . 2 . . . . . . . . . 5565 1
725 . 1 1 63 63 LYS HB3 H 1 1.32 0.2 . 2 . . . . . . . . . 5565 1
726 . 1 1 63 63 LYS HG2 H 1 1.44 0.2 . 2 . . . . . . . . . 5565 1
727 . 1 1 63 63 LYS HG3 H 1 1.21 0.2 . 2 . . . . . . . . . 5565 1
728 . 1 1 63 63 LYS HD2 H 1 1.33 0.2 . 2 . . . . . . . . . 5565 1
729 . 1 1 63 63 LYS HD3 H 1 0.51 0.2 . 2 . . . . . . . . . 5565 1
730 . 1 1 63 63 LYS C C 13 174.45 0.2 . 1 . . . . . . . . . 5565 1
731 . 1 1 63 63 LYS CA C 13 53.1 0.2 . 1 . . . . . . . . . 5565 1
732 . 1 1 63 63 LYS CB C 13 33.87 0.2 . 1 . . . . . . . . . 5565 1
733 . 1 1 63 63 LYS CG C 13 23.07 0.2 . 1 . . . . . . . . . 5565 1
734 . 1 1 63 63 LYS CD C 13 28.62 0.2 . 1 . . . . . . . . . 5565 1
735 . 1 1 63 63 LYS CE C 13 40.96 0.2 . 1 . . . . . . . . . 5565 1
736 . 1 1 63 63 LYS N N 15 120.65 0.2 . 1 . . . . . . . . . 5565 1
737 . 1 1 64 64 ILE H H 1 9.11 0.2 . 1 . . . . . . . . . 5565 1
738 . 1 1 64 64 ILE HA H 1 4.41 0.2 . 1 . . . . . . . . . 5565 1
739 . 1 1 64 64 ILE HB H 1 1.77 0.2 . 1 . . . . . . . . . 5565 1
740 . 1 1 64 64 ILE HG12 H 1 1.37 0.2 . 2 . . . . . . . . . 5565 1
741 . 1 1 64 64 ILE HG13 H 1 1.03 0.2 . 2 . . . . . . . . . 5565 1
742 . 1 1 64 64 ILE HG21 H 1 0.76 0.2 . 1 . . . . . . . . . 5565 1
743 . 1 1 64 64 ILE HG22 H 1 0.76 0.2 . 1 . . . . . . . . . 5565 1
744 . 1 1 64 64 ILE HG23 H 1 0.76 0.2 . 1 . . . . . . . . . 5565 1
745 . 1 1 64 64 ILE HD11 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1
746 . 1 1 64 64 ILE HD12 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1
747 . 1 1 64 64 ILE HD13 H 1 0.7 0.2 . 1 . . . . . . . . . 5565 1
748 . 1 1 64 64 ILE C C 13 175.28 0.2 . 1 . . . . . . . . . 5565 1
749 . 1 1 64 64 ILE CA C 13 59.07 0.2 . 1 . . . . . . . . . 5565 1
750 . 1 1 64 64 ILE CB C 13 39.9 0.2 . 1 . . . . . . . . . 5565 1
751 . 1 1 64 64 ILE CG1 C 13 26.06 0.2 . 1 . . . . . . . . . 5565 1
752 . 1 1 64 64 ILE CG2 C 13 16.4 0.2 . 1 . . . . . . . . . 5565 1
753 . 1 1 64 64 ILE CD1 C 13 12.21 0.2 . 1 . . . . . . . . . 5565 1
754 . 1 1 64 64 ILE N N 15 123.15 0.2 . 1 . . . . . . . . . 5565 1
755 . 1 1 65 65 LEU H H 1 8.86 0.2 . 1 . . . . . . . . . 5565 1
756 . 1 1 65 65 LEU HA H 1 3.8 0.2 . 1 . . . . . . . . . 5565 1
757 . 1 1 65 65 LEU HB2 H 1 1.64 0.2 . 2 . . . . . . . . . 5565 1
758 . 1 1 65 65 LEU HB3 H 1 0.99 0.2 . 2 . . . . . . . . . 5565 1
759 . 1 1 65 65 LEU HG H 1 0.82 0.2 . 1 . . . . . . . . . 5565 1
760 . 1 1 65 65 LEU HD11 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1
761 . 1 1 65 65 LEU HD12 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1
762 . 1 1 65 65 LEU HD13 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1
763 . 1 1 65 65 LEU HD21 H 1 -0.1 0.2 . 2 . . . . . . . . . 5565 1
764 . 1 1 65 65 LEU HD22 H 1 -0.1 0.2 . 2 . . . . . . . . . 5565 1
765 . 1 1 65 65 LEU HD23 H 1 -0.1 0.2 . 2 . . . . . . . . . 5565 1
766 . 1 1 65 65 LEU C C 13 175.12 0.2 . 1 . . . . . . . . . 5565 1
767 . 1 1 65 65 LEU CA C 13 53.62 0.2 . 1 . . . . . . . . . 5565 1
768 . 1 1 65 65 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . . 5565 1
769 . 1 1 65 65 LEU CG C 13 25.53 0.2 . 1 . . . . . . . . . 5565 1
770 . 1 1 65 65 LEU CD1 C 13 25.53 0.2 . 2 . . . . . . . . . 5565 1
771 . 1 1 65 65 LEU CD2 C 13 20.26 0.2 . 2 . . . . . . . . . 5565 1
772 . 1 1 65 65 LEU N N 15 130.65 0.2 . 1 . . . . . . . . . 5565 1
773 . 1 1 66 66 ASN H H 1 8.74 0.2 . 1 . . . . . . . . . 5565 1
774 . 1 1 66 66 ASN HA H 1 4.72 0.2 . 1 . . . . . . . . . 5565 1
775 . 1 1 66 66 ASN HB2 H 1 3.22 0.2 . 2 . . . . . . . . . 5565 1
776 . 1 1 66 66 ASN HB3 H 1 2.65 0.2 . 2 . . . . . . . . . 5565 1
777 . 1 1 66 66 ASN HD21 H 1 7.94 0.2 . 2 . . . . . . . . . 5565 1
778 . 1 1 66 66 ASN HD22 H 1 6.77 0.2 . 2 . . . . . . . . . 5565 1
779 . 1 1 66 66 ASN C C 13 176.28 0.2 . 1 . . . . . . . . . 5565 1
780 . 1 1 66 66 ASN CA C 13 51.2 0.2 . 1 . . . . . . . . . 5565 1
781 . 1 1 66 66 ASN CB C 13 37.49 0.2 . 1 . . . . . . . . . 5565 1
782 . 1 1 66 66 ASN N N 15 126.9 0.2 . 1 . . . . . . . . . 5565 1
783 . 1 1 66 66 ASN ND2 N 15 113.67 0.2 . 1 . . . . . . . . . 5565 1
784 . 1 1 67 67 LYS H H 1 8.82 0.2 . 1 . . . . . . . . . 5565 1
785 . 1 1 67 67 LYS HA H 1 3.9 0.2 . 1 . . . . . . . . . 5565 1
786 . 1 1 67 67 LYS HB2 H 1 1.99 0.2 . 1 . . . . . . . . . 5565 1
787 . 1 1 67 67 LYS HB3 H 1 1.99 0.2 . 1 . . . . . . . . . 5565 1
788 . 1 1 67 67 LYS HG2 H 1 1.46 0.2 . 2 . . . . . . . . . 5565 1
789 . 1 1 67 67 LYS HG3 H 1 1.22 0.2 . 2 . . . . . . . . . 5565 1
790 . 1 1 67 67 LYS HD2 H 1 1.67 0.2 . 1 . . . . . . . . . 5565 1
791 . 1 1 67 67 LYS HD3 H 1 1.67 0.2 . 1 . . . . . . . . . 5565 1
792 . 1 1 67 67 LYS C C 13 176.32 0.2 . 1 . . . . . . . . . 5565 1
793 . 1 1 67 67 LYS CA C 13 57.73 0.2 . 1 . . . . . . . . . 5565 1
794 . 1 1 67 67 LYS CB C 13 31.3 0.2 . 1 . . . . . . . . . 5565 1
795 . 1 1 67 67 LYS CG C 13 25.72 0.2 . 1 . . . . . . . . . 5565 1
796 . 1 1 67 67 LYS CD C 13 28.47 0.2 . 1 . . . . . . . . . 5565 1
797 . 1 1 67 67 LYS CE C 13 41.27 0.2 . 1 . . . . . . . . . 5565 1
798 . 1 1 67 67 LYS N N 15 125.02 0.2 . 1 . . . . . . . . . 5565 1
799 . 1 1 68 68 LYS H H 1 8.33 0.2 . 1 . . . . . . . . . 5565 1
800 . 1 1 68 68 LYS HA H 1 4.17 0.2 . 1 . . . . . . . . . 5565 1
801 . 1 1 68 68 LYS HB2 H 1 1.91 0.2 . 1 . . . . . . . . . 5565 1
802 . 1 1 68 68 LYS HB3 H 1 1.91 0.2 . 1 . . . . . . . . . 5565 1
803 . 1 1 68 68 LYS HG2 H 1 1.47 0.2 . 2 . . . . . . . . . 5565 1
804 . 1 1 68 68 LYS HG3 H 1 1.36 0.2 . 2 . . . . . . . . . 5565 1
805 . 1 1 68 68 LYS HD2 H 1 1.65 0.2 . 1 . . . . . . . . . 5565 1
806 . 1 1 68 68 LYS HD3 H 1 1.65 0.2 . 1 . . . . . . . . . 5565 1
807 . 1 1 68 68 LYS C C 13 178.38 0.2 . 1 . . . . . . . . . 5565 1
808 . 1 1 68 68 LYS CA C 13 57.91 0.2 . 1 . . . . . . . . . 5565 1
809 . 1 1 68 68 LYS CB C 13 31.39 0.2 . 1 . . . . . . . . . 5565 1
810 . 1 1 68 68 LYS CG C 13 24.31 0.2 . 1 . . . . . . . . . 5565 1
811 . 1 1 68 68 LYS CD C 13 28.06 0.2 . 1 . . . . . . . . . 5565 1
812 . 1 1 68 68 LYS CE C 13 41.11 0.2 . 1 . . . . . . . . . 5565 1
813 . 1 1 68 68 LYS N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1
814 . 1 1 69 69 THR H H 1 7.06 0.2 . 1 . . . . . . . . . 5565 1
815 . 1 1 69 69 THR HA H 1 4.25 0.2 . 1 . . . . . . . . . 5565 1
816 . 1 1 69 69 THR HB H 1 4.25 0.2 . 1 . . . . . . . . . 5565 1
817 . 1 1 69 69 THR HG21 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1
818 . 1 1 69 69 THR HG22 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1
819 . 1 1 69 69 THR HG23 H 1 1.01 0.2 . 1 . . . . . . . . . 5565 1
820 . 1 1 69 69 THR C C 13 175.04 0.2 . 1 . . . . . . . . . 5565 1
821 . 1 1 69 69 THR CA C 13 59.83 0.2 . 1 . . . . . . . . . 5565 1
822 . 1 1 69 69 THR CB C 13 68.27 0.2 . 1 . . . . . . . . . 5565 1
823 . 1 1 69 69 THR CG2 C 13 21.02 0.2 . 1 . . . . . . . . . 5565 1
824 . 1 1 69 69 THR N N 15 104.4 0.2 . 1 . . . . . . . . . 5565 1
825 . 1 1 70 70 CYS H H 1 8.2 0.2 . 1 . . . . . . . . . 5565 1
826 . 1 1 70 70 CYS HA H 1 4.22 0.2 . 1 . . . . . . . . . 5565 1
827 . 1 1 70 70 CYS HB2 H 1 2.95 0.2 . 2 . . . . . . . . . 5565 1
828 . 1 1 70 70 CYS HB3 H 1 2.87 0.2 . 2 . . . . . . . . . 5565 1
829 . 1 1 70 70 CYS C C 13 173.55 0.2 . 1 . . . . . . . . . 5565 1
830 . 1 1 70 70 CYS CA C 13 54.32 0.2 . 1 . . . . . . . . . 5565 1
831 . 1 1 70 70 CYS CB C 13 34.64 0.2 . 1 . . . . . . . . . 5565 1
832 . 1 1 70 70 CYS N N 15 119.4 0.2 . 1 . . . . . . . . . 5565 1
833 . 1 1 71 71 THR H H 1 7.36 0.2 . 1 . . . . . . . . . 5565 1
834 . 1 1 71 71 THR HA H 1 4.7 0.2 . 1 . . . . . . . . . 5565 1
835 . 1 1 71 71 THR HB H 1 4 0.2 . 1 . . . . . . . . . 5565 1
836 . 1 1 71 71 THR HG21 H 1 1.1 0.2 . 1 . . . . . . . . . 5565 1
837 . 1 1 71 71 THR HG22 H 1 1.1 0.2 . 1 . . . . . . . . . 5565 1
838 . 1 1 71 71 THR HG23 H 1 1.1 0.2 . 1 . . . . . . . . . 5565 1
839 . 1 1 71 71 THR C C 13 173.68 0.2 . 1 . . . . . . . . . 5565 1
840 . 1 1 71 71 THR CA C 13 58.49 0.2 . 1 . . . . . . . . . 5565 1
841 . 1 1 71 71 THR CB C 13 71.23 0.2 . 1 . . . . . . . . . 5565 1
842 . 1 1 71 71 THR CG2 C 13 20.93 0.2 . 1 . . . . . . . . . 5565 1
843 . 1 1 71 71 THR N N 15 107.52 0.2 . 1 . . . . . . . . . 5565 1
844 . 1 1 72 72 TYR H H 1 9.48 0.2 . 1 . . . . . . . . . 5565 1
845 . 1 1 72 72 TYR HA H 1 5.33 0.2 . 1 . . . . . . . . . 5565 1
846 . 1 1 72 72 TYR HB2 H 1 3.04 0.2 . 2 . . . . . . . . . 5565 1
847 . 1 1 72 72 TYR HB3 H 1 2.73 0.2 . 2 . . . . . . . . . 5565 1
848 . 1 1 72 72 TYR HD1 H 1 7.12 0.2 . 1 . . . . . . . . . 5565 1
849 . 1 1 72 72 TYR HE1 H 1 6.69 0.2 . 1 . . . . . . . . . 5565 1
850 . 1 1 72 72 TYR HE2 H 1 6.69 0.2 . 1 . . . . . . . . . 5565 1
851 . 1 1 72 72 TYR HD2 H 1 7.12 0.2 . 1 . . . . . . . . . 5565 1
852 . 1 1 72 72 TYR C C 13 176.54 0.2 . 1 . . . . . . . . . 5565 1
853 . 1 1 72 72 TYR CA C 13 58.52 0.2 . 1 . . . . . . . . . 5565 1
854 . 1 1 72 72 TYR CB C 13 40.69 0.2 . 1 . . . . . . . . . 5565 1
855 . 1 1 72 72 TYR CD1 C 13 133.46 0.2 . 1 . . . . . . . . . 5565 1
856 . 1 1 72 72 TYR CE1 C 13 118.73 0.2 . 1 . . . . . . . . . 5565 1
857 . 1 1 72 72 TYR CD2 C 13 133.46 0.2 . 1 . . . . . . . . . 5565 1
858 . 1 1 72 72 TYR CE2 C 13 118.73 0.2 . 1 . . . . . . . . . 5565 1
859 . 1 1 72 72 TYR N N 15 122.52 0.2 . 1 . . . . . . . . . 5565 1
860 . 1 1 73 73 THR H H 1 8.72 0.2 . 1 . . . . . . . . . 5565 1
861 . 1 1 73 73 THR HA H 1 4.64 0.2 . 1 . . . . . . . . . 5565 1
862 . 1 1 73 73 THR HB H 1 4.02 0.2 . 1 . . . . . . . . . 5565 1
863 . 1 1 73 73 THR HG21 H 1 1.19 0.2 . 1 . . . . . . . . . 5565 1
864 . 1 1 73 73 THR HG22 H 1 1.19 0.2 . 1 . . . . . . . . . 5565 1
865 . 1 1 73 73 THR HG23 H 1 1.19 0.2 . 1 . . . . . . . . . 5565 1
866 . 1 1 73 73 THR C C 13 172.95 0.2 . 1 . . . . . . . . . 5565 1
867 . 1 1 73 73 THR CA C 13 59.46 0.2 . 1 . . . . . . . . . 5565 1
868 . 1 1 73 73 THR CB C 13 70.07 0.2 . 1 . . . . . . . . . 5565 1
869 . 1 1 73 73 THR CG2 C 13 21.14 0.2 . 1 . . . . . . . . . 5565 1
870 . 1 1 73 73 THR N N 15 113.77 0.2 . 1 . . . . . . . . . 5565 1
871 . 1 1 74 74 VAL H H 1 8.42 0.2 . 1 . . . . . . . . . 5565 1
872 . 1 1 74 74 VAL HA H 1 4.68 0.2 . 1 . . . . . . . . . 5565 1
873 . 1 1 74 74 VAL HB H 1 1.59 0.2 . 1 . . . . . . . . . 5565 1
874 . 1 1 74 74 VAL HG11 H 1 -0.02 0.2 . 2 . . . . . . . . . 5565 1
875 . 1 1 74 74 VAL HG12 H 1 -0.02 0.2 . 2 . . . . . . . . . 5565 1
876 . 1 1 74 74 VAL HG13 H 1 -0.02 0.2 . 2 . . . . . . . . . 5565 1
877 . 1 1 74 74 VAL HG21 H 1 0.19 0.2 . 2 . . . . . . . . . 5565 1
878 . 1 1 74 74 VAL HG22 H 1 0.19 0.2 . 2 . . . . . . . . . 5565 1
879 . 1 1 74 74 VAL HG23 H 1 0.19 0.2 . 2 . . . . . . . . . 5565 1
880 . 1 1 74 74 VAL C C 13 175.42 0.2 . 1 . . . . . . . . . 5565 1
881 . 1 1 74 74 VAL CA C 13 60.73 0.2 . 1 . . . . . . . . . 5565 1
882 . 1 1 74 74 VAL CB C 13 31.05 0.2 . 1 . . . . . . . . . 5565 1
883 . 1 1 74 74 VAL CG1 C 13 21.1 0.2 . 1 . . . . . . . . . 5565 1
884 . 1 1 74 74 VAL CG2 C 13 21.1 0.2 . 1 . . . . . . . . . 5565 1
885 . 1 1 74 74 VAL N N 15 123.77 0.2 . 1 . . . . . . . . . 5565 1
886 . 1 1 75 75 VAL H H 1 8.43 0.2 . 1 . . . . . . . . . 5565 1
887 . 1 1 75 75 VAL HA H 1 5.22 0.2 . 1 . . . . . . . . . 5565 1
888 . 1 1 75 75 VAL HB H 1 2.26 0.2 . 1 . . . . . . . . . 5565 1
889 . 1 1 75 75 VAL HG11 H 1 0.75 0.2 . 2 . . . . . . . . . 5565 1
890 . 1 1 75 75 VAL HG12 H 1 0.75 0.2 . 2 . . . . . . . . . 5565 1
891 . 1 1 75 75 VAL HG13 H 1 0.75 0.2 . 2 . . . . . . . . . 5565 1
892 . 1 1 75 75 VAL HG21 H 1 0.7 0.2 . 2 . . . . . . . . . 5565 1
893 . 1 1 75 75 VAL HG22 H 1 0.7 0.2 . 2 . . . . . . . . . 5565 1
894 . 1 1 75 75 VAL HG23 H 1 0.7 0.2 . 2 . . . . . . . . . 5565 1
895 . 1 1 75 75 VAL C C 13 175.83 0.2 . 1 . . . . . . . . . 5565 1
896 . 1 1 75 75 VAL CA C 13 57.46 0.2 . 1 . . . . . . . . . 5565 1
897 . 1 1 75 75 VAL CB C 13 35.42 0.2 . 1 . . . . . . . . . 5565 1
898 . 1 1 75 75 VAL CG1 C 13 20.74 0.2 . 2 . . . . . . . . . 5565 1
899 . 1 1 75 75 VAL CG2 C 13 17.52 0.2 . 2 . . . . . . . . . 5565 1
900 . 1 1 75 75 VAL N N 15 119.4 0.2 . 1 . . . . . . . . . 5565 1
901 . 1 1 76 76 GLU H H 1 8.34 0.2 . 1 . . . . . . . . . 5565 1
902 . 1 1 76 76 GLU HA H 1 4.3 0.2 . 1 . . . . . . . . . 5565 1
903 . 1 1 76 76 GLU HB2 H 1 2.08 0.2 . 1 . . . . . . . . . 5565 1
904 . 1 1 76 76 GLU HB3 H 1 2.08 0.2 . 1 . . . . . . . . . 5565 1
905 . 1 1 76 76 GLU HG2 H 1 2.37 0.2 . 1 . . . . . . . . . 5565 1
906 . 1 1 76 76 GLU HG3 H 1 2.37 0.2 . 1 . . . . . . . . . 5565 1
907 . 1 1 76 76 GLU C C 13 178.09 0.2 . 1 . . . . . . . . . 5565 1
908 . 1 1 76 76 GLU CA C 13 56.87 0.2 . 1 . . . . . . . . . 5565 1
909 . 1 1 76 76 GLU CB C 13 28.55 0.2 . 1 . . . . . . . . . 5565 1
910 . 1 1 76 76 GLU CG C 13 36.55 0.2 . 1 . . . . . . . . . 5565 1
911 . 1 1 76 76 GLU N N 15 121.27 0.2 . 1 . . . . . . . . . 5565 1
912 . 1 1 77 77 LYS H H 1 8.62 0.2 . 1 . . . . . . . . . 5565 1
913 . 1 1 77 77 LYS HA H 1 3.83 0.2 . 1 . . . . . . . . . 5565 1
914 . 1 1 77 77 LYS HB2 H 1 1.79 0.2 . 1 . . . . . . . . . 5565 1
915 . 1 1 77 77 LYS HB3 H 1 1.79 0.2 . 1 . . . . . . . . . 5565 1
916 . 1 1 77 77 LYS HG2 H 1 1.17 0.2 . 2 . . . . . . . . . 5565 1
917 . 1 1 77 77 LYS HG3 H 1 0.98 0.2 . 2 . . . . . . . . . 5565 1
918 . 1 1 77 77 LYS HD2 H 1 1.54 0.2 . 1 . . . . . . . . . 5565 1
919 . 1 1 77 77 LYS HD3 H 1 1.54 0.2 . 1 . . . . . . . . . 5565 1
920 . 1 1 77 77 LYS C C 13 178.82 0.2 . 1 . . . . . . . . . 5565 1
921 . 1 1 77 77 LYS CA C 13 58.73 0.2 . 1 . . . . . . . . . 5565 1
922 . 1 1 77 77 LYS CB C 13 31.88 0.2 . 1 . . . . . . . . . 5565 1
923 . 1 1 77 77 LYS CG C 13 26.07 0.2 . 1 . . . . . . . . . 5565 1
924 . 1 1 77 77 LYS CD C 13 28.74 0.2 . 1 . . . . . . . . . 5565 1
925 . 1 1 77 77 LYS CE C 13 41.32 0.2 . 1 . . . . . . . . . 5565 1
926 . 1 1 77 77 LYS N N 15 121.9 0.2 . 1 . . . . . . . . . 5565 1
927 . 1 1 78 78 LYS H H 1 8.17 0.2 . 1 . . . . . . . . . 5565 1
928 . 1 1 78 78 LYS HA H 1 4.19 0.2 . 1 . . . . . . . . . 5565 1
929 . 1 1 78 78 LYS HB2 H 1 1.86 0.2 . 2 . . . . . . . . . 5565 1
930 . 1 1 78 78 LYS HB3 H 1 1.76 0.2 . 2 . . . . . . . . . 5565 1
931 . 1 1 78 78 LYS HG2 H 1 1.42 0.2 . 1 . . . . . . . . . 5565 1
932 . 1 1 78 78 LYS HG3 H 1 1.42 0.2 . 1 . . . . . . . . . 5565 1
933 . 1 1 78 78 LYS HD2 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1
934 . 1 1 78 78 LYS HD3 H 1 1.66 0.2 . 1 . . . . . . . . . 5565 1
935 . 1 1 78 78 LYS C C 13 176.19 0.2 . 1 . . . . . . . . . 5565 1
936 . 1 1 78 78 LYS CA C 13 55.67 0.2 . 1 . . . . . . . . . 5565 1
937 . 1 1 78 78 LYS CB C 13 31.73 0.2 . 1 . . . . . . . . . 5565 1
938 . 1 1 78 78 LYS CG C 13 24.03 0.2 . 1 . . . . . . . . . 5565 1
939 . 1 1 78 78 LYS CD C 13 28.16 0.2 . 1 . . . . . . . . . 5565 1
940 . 1 1 78 78 LYS CE C 13 41.06 0.2 . 1 . . . . . . . . . 5565 1
941 . 1 1 78 78 LYS N N 15 113.77 0.2 . 1 . . . . . . . . . 5565 1
942 . 1 1 79 79 ASP H H 1 6.65 0.2 . 1 . . . . . . . . . 5565 1
943 . 1 1 79 79 ASP HA H 1 4.84 0.2 . 1 . . . . . . . . . 5565 1
944 . 1 1 79 79 ASP HB2 H 1 2.87 0.2 . 2 . . . . . . . . . 5565 1
945 . 1 1 79 79 ASP HB3 H 1 2.43 0.2 . 2 . . . . . . . . . 5565 1
946 . 1 1 79 79 ASP C C 13 172.28 0.2 . 1 . . . . . . . . . 5565 1
947 . 1 1 79 79 ASP CA C 13 50.64 0.2 . 1 . . . . . . . . . 5565 1
948 . 1 1 79 79 ASP CB C 13 40.29 0.2 . 1 . . . . . . . . . 5565 1
949 . 1 1 79 79 ASP N N 15 113.77 0.2 . 1 . . . . . . . . . 5565 1
950 . 1 1 80 80 PRO HA H 1 4.52 0.2 . 1 . . . . . . . . . 5565 1
951 . 1 1 80 80 PRO HB2 H 1 2.22 0.2 . 2 . . . . . . . . . 5565 1
952 . 1 1 80 80 PRO HB3 H 1 1.94 0.2 . 2 . . . . . . . . . 5565 1
953 . 1 1 80 80 PRO HG2 H 1 1.9 0.2 . 1 . . . . . . . . . 5565 1
954 . 1 1 80 80 PRO HG3 H 1 1.9 0.2 . 1 . . . . . . . . . 5565 1
955 . 1 1 80 80 PRO HD2 H 1 3.77 0.2 . 2 . . . . . . . . . 5565 1
956 . 1 1 80 80 PRO HD3 H 1 3.43 0.2 . 2 . . . . . . . . . 5565 1
957 . 1 1 80 80 PRO C C 13 176.36 0.2 . 1 . . . . . . . . . 5565 1
958 . 1 1 80 80 PRO CA C 13 62.56 0.2 . 1 . . . . . . . . . 5565 1
959 . 1 1 80 80 PRO CB C 13 30.92 0.2 . 1 . . . . . . . . . 5565 1
960 . 1 1 80 80 PRO CG C 13 25.92 0.2 . 1 . . . . . . . . . 5565 1
961 . 1 1 80 80 PRO CD C 13 49.42 0.2 . 1 . . . . . . . . . 5565 1
962 . 1 1 81 81 GLY H H 1 8.09 0.2 . 1 . . . . . . . . . 5565 1
963 . 1 1 81 81 GLY HA2 H 1 3.61 0.2 . 2 . . . . . . . . . 5565 1
964 . 1 1 81 81 GLY HA3 H 1 4.11 0.2 . 2 . . . . . . . . . 5565 1
965 . 1 1 81 81 GLY C C 13 173.92 0.2 . 1 . . . . . . . . . 5565 1
966 . 1 1 81 81 GLY CA C 13 44.34 0.2 . 1 . . . . . . . . . 5565 1
967 . 1 1 81 81 GLY N N 15 105.02 0.2 . 1 . . . . . . . . . 5565 1
968 . 1 1 82 82 LYS H H 1 8.17 0.2 . 1 . . . . . . . . . 5565 1
969 . 1 1 82 82 LYS HA H 1 4.6 0.2 . 1 . . . . . . . . . 5565 1
970 . 1 1 82 82 LYS HB2 H 1 1.81 0.2 . 2 . . . . . . . . . 5565 1
971 . 1 1 82 82 LYS HB3 H 1 1.71 0.2 . 2 . . . . . . . . . 5565 1
972 . 1 1 82 82 LYS HG2 H 1 1.31 0.2 . 1 . . . . . . . . . 5565 1
973 . 1 1 82 82 LYS HG3 H 1 1.31 0.2 . 1 . . . . . . . . . 5565 1
974 . 1 1 82 82 LYS HD2 H 1 1.6 0.2 . 1 . . . . . . . . . 5565 1
975 . 1 1 82 82 LYS HD3 H 1 1.6 0.2 . 1 . . . . . . . . . 5565 1
976 . 1 1 82 82 LYS C C 13 175.27 0.2 . 1 . . . . . . . . . 5565 1
977 . 1 1 82 82 LYS CA C 13 53.86 0.2 . 1 . . . . . . . . . 5565 1
978 . 1 1 82 82 LYS CB C 13 32.96 0.2 . 1 . . . . . . . . . 5565 1
979 . 1 1 82 82 LYS CG C 13 23.87 0.2 . 1 . . . . . . . . . 5565 1
980 . 1 1 82 82 LYS CD C 13 27.93 0.2 . 1 . . . . . . . . . 5565 1
981 . 1 1 82 82 LYS CE C 13 41.36 0.2 . 1 . . . . . . . . . 5565 1
982 . 1 1 82 82 LYS N N 15 123.15 0.2 . 1 . . . . . . . . . 5565 1
983 . 1 1 83 83 THR H H 1 8.1 0.2 . 1 . . . . . . . . . 5565 1
984 . 1 1 83 83 THR HA H 1 4.71 0.2 . 1 . . . . . . . . . 5565 1
985 . 1 1 83 83 THR HB H 1 4.28 0.2 . 1 . . . . . . . . . 5565 1
986 . 1 1 83 83 THR HG21 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1
987 . 1 1 83 83 THR HG22 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1
988 . 1 1 83 83 THR HG23 H 1 1.27 0.2 . 1 . . . . . . . . . 5565 1
989 . 1 1 83 83 THR C C 13 175.21 0.2 . 1 . . . . . . . . . 5565 1
990 . 1 1 83 83 THR CA C 13 60.6 0.2 . 1 . . . . . . . . . 5565 1
991 . 1 1 83 83 THR CB C 13 69.22 0.2 . 1 . . . . . . . . . 5565 1
992 . 1 1 83 83 THR CG2 C 13 21.37 0.2 . 1 . . . . . . . . . 5565 1
993 . 1 1 83 83 THR N N 15 115.02 0.2 . 1 . . . . . . . . . 5565 1
994 . 1 1 84 84 CYS H H 1 8.02 0.2 . 1 . . . . . . . . . 5565 1
995 . 1 1 84 84 CYS HA H 1 4.84 0.2 . 1 . . . . . . . . . 5565 1
996 . 1 1 84 84 CYS HB2 H 1 3.18 0.2 . 2 . . . . . . . . . 5565 1
997 . 1 1 84 84 CYS HB3 H 1 2.97 0.2 . 2 . . . . . . . . . 5565 1
998 . 1 1 84 84 CYS C C 13 172.79 0.2 . 1 . . . . . . . . . 5565 1
999 . 1 1 84 84 CYS CA C 13 53.7 0.2 . 1 . . . . . . . . . 5565 1
1000 . 1 1 84 84 CYS CB C 13 46.72 0.2 . 1 . . . . . . . . . 5565 1
1001 . 1 1 84 84 CYS N N 15 119.4 0.2 . 1 . . . . . . . . . 5565 1
1002 . 1 1 85 85 ASP H H 1 8.36 0.2 . 1 . . . . . . . . . 5565 1
1003 . 1 1 85 85 ASP HA H 1 4.48 0.2 . 1 . . . . . . . . . 5565 1
1004 . 1 1 85 85 ASP HB2 H 1 2.57 0.2 . 2 . . . . . . . . . 5565 1
1005 . 1 1 85 85 ASP HB3 H 1 2.46 0.2 . 2 . . . . . . . . . 5565 1
1006 . 1 1 85 85 ASP C C 13 178.11 0.2 . 1 . . . . . . . . . 5565 1
1007 . 1 1 85 85 ASP CA C 13 54.01 0.2 . 1 . . . . . . . . . 5565 1
1008 . 1 1 85 85 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . . 5565 1
1009 . 1 1 85 85 ASP N N 15 121.27 0.2 . 1 . . . . . . . . . 5565 1
1010 . 1 1 86 86 VAL H H 1 8.05 0.2 . 1 . . . . . . . . . 5565 1
1011 . 1 1 86 86 VAL HA H 1 4.16 0.2 . 1 . . . . . . . . . 5565 1
1012 . 1 1 86 86 VAL HB H 1 1.98 0.2 . 1 . . . . . . . . . 5565 1
1013 . 1 1 86 86 VAL HG11 H 1 0.41 0.2 . 2 . . . . . . . . . 5565 1
1014 . 1 1 86 86 VAL HG12 H 1 0.41 0.2 . 2 . . . . . . . . . 5565 1
1015 . 1 1 86 86 VAL HG13 H 1 0.41 0.2 . 2 . . . . . . . . . 5565 1
1016 . 1 1 86 86 VAL HG21 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1
1017 . 1 1 86 86 VAL HG22 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1
1018 . 1 1 86 86 VAL HG23 H 1 0.59 0.2 . 2 . . . . . . . . . 5565 1
1019 . 1 1 86 86 VAL C C 13 176.45 0.2 . 1 . . . . . . . . . 5565 1
1020 . 1 1 86 86 VAL CA C 13 60.07 0.2 . 1 . . . . . . . . . 5565 1
1021 . 1 1 86 86 VAL CB C 13 33.82 0.2 . 1 . . . . . . . . . 5565 1
1022 . 1 1 86 86 VAL CG1 C 13 20.8 0.2 . 1 . . . . . . . . . 5565 1
1023 . 1 1 86 86 VAL CG2 C 13 20.8 0.2 . 1 . . . . . . . . . 5565 1
1024 . 1 1 86 86 VAL N N 15 118.77 0.2 . 1 . . . . . . . . . 5565 1
1025 . 1 1 87 87 THR H H 1 8.14 0.2 . 1 . . . . . . . . . 5565 1
1026 . 1 1 87 87 THR HA H 1 4.32 0.2 . 1 . . . . . . . . . 5565 1
1027 . 1 1 87 87 THR HB H 1 4.32 0.2 . 1 . . . . . . . . . 5565 1
1028 . 1 1 87 87 THR HG21 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1
1029 . 1 1 87 87 THR HG22 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1
1030 . 1 1 87 87 THR HG23 H 1 1.12 0.2 . 1 . . . . . . . . . 5565 1
1031 . 1 1 87 87 THR C C 13 174.67 0.2 . 1 . . . . . . . . . 5565 1
1032 . 1 1 87 87 THR CA C 13 61.97 0.2 . 1 . . . . . . . . . 5565 1
1033 . 1 1 87 87 THR CB C 13 68.25 0.2 . 1 . . . . . . . . . 5565 1
1034 . 1 1 87 87 THR CG2 C 13 20.87 0.2 . 1 . . . . . . . . . 5565 1
1035 . 1 1 87 87 THR N N 15 115.65 0.2 . 1 . . . . . . . . . 5565 1
1036 . 1 1 88 88 GLY H H 1 7.49 0.2 . 1 . . . . . . . . . 5565 1
1037 . 1 1 88 88 GLY HA2 H 1 3.72 0.2 . 2 . . . . . . . . . 5565 1
1038 . 1 1 88 88 GLY HA3 H 1 4.11 0.2 . 2 . . . . . . . . . 5565 1
1039 . 1 1 88 88 GLY C C 13 170.33 0.2 . 1 . . . . . . . . . 5565 1
1040 . 1 1 88 88 GLY CA C 13 44.51 0.2 . 1 . . . . . . . . . 5565 1
1041 . 1 1 88 88 GLY N N 15 110.02 0.2 . 1 . . . . . . . . . 5565 1
1042 . 1 1 89 89 TRP H H 1 7.99 0.2 . 1 . . . . . . . . . 5565 1
1043 . 1 1 89 89 TRP HA H 1 5.12 0.2 . 1 . . . . . . . . . 5565 1
1044 . 1 1 89 89 TRP HB2 H 1 2.9 0.2 . 2 . . . . . . . . . 5565 1
1045 . 1 1 89 89 TRP HB3 H 1 2.81 0.2 . 2 . . . . . . . . . 5565 1
1046 . 1 1 89 89 TRP HE1 H 1 10.09 0.2 . 1 . . . . . . . . . 5565 1
1047 . 1 1 89 89 TRP HD1 H 1 7.05 0.2 . 1 . . . . . . . . . 5565 1
1048 . 1 1 89 89 TRP HE3 H 1 7.21 0.2 . 1 . . . . . . . . . 5565 1
1049 . 1 1 89 89 TRP HZ3 H 1 7.22 0.2 . 1 . . . . . . . . . 5565 1
1050 . 1 1 89 89 TRP HH2 H 1 7.19 0.2 . 1 . . . . . . . . . 5565 1
1051 . 1 1 89 89 TRP HZ2 H 1 7.45 0.2 . 1 . . . . . . . . . 5565 1
1052 . 1 1 89 89 TRP C C 13 176.03 0.2 . 1 . . . . . . . . . 5565 1
1053 . 1 1 89 89 TRP CA C 13 55.15 0.2 . 1 . . . . . . . . . 5565 1
1054 . 1 1 89 89 TRP CB C 13 31.4 0.2 . 1 . . . . . . . . . 5565 1
1055 . 1 1 89 89 TRP CD1 C 13 127.06 0.2 . 1 . . . . . . . . . 5565 1
1056 . 1 1 89 89 TRP CE3 C 13 119.62 0.2 . 1 . . . . . . . . . 5565 1
1057 . 1 1 89 89 TRP CZ3 C 13 120.19 0.2 . 1 . . . . . . . . . 5565 1
1058 . 1 1 89 89 TRP CH2 C 13 120.19 0.2 . 1 . . . . . . . . . 5565 1
1059 . 1 1 89 89 TRP CZ2 C 13 114.73 0.2 . 1 . . . . . . . . . 5565 1
1060 . 1 1 89 89 TRP N N 15 118.15 0.2 . 1 . . . . . . . . . 5565 1
1061 . 1 1 89 89 TRP NE1 N 15 129.86 0.2 . 1 . . . . . . . . . 5565 1
1062 . 1 1 90 90 VAL H H 1 9.24 0.2 . 1 . . . . . . . . . 5565 1
1063 . 1 1 90 90 VAL HA H 1 4.27 0.2 . 1 . . . . . . . . . 5565 1
1064 . 1 1 90 90 VAL HB H 1 2.01 0.2 . 1 . . . . . . . . . 5565 1
1065 . 1 1 90 90 VAL HG11 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1
1066 . 1 1 90 90 VAL HG12 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1
1067 . 1 1 90 90 VAL HG13 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1
1068 . 1 1 90 90 VAL HG21 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1
1069 . 1 1 90 90 VAL HG22 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1
1070 . 1 1 90 90 VAL HG23 H 1 0.83 0.2 . 1 . . . . . . . . . 5565 1
1071 . 1 1 90 90 VAL C C 13 174.5 0.2 . 1 . . . . . . . . . 5565 1
1072 . 1 1 90 90 VAL CA C 13 61.07 0.2 . 1 . . . . . . . . . 5565 1
1073 . 1 1 90 90 VAL CB C 13 33.01 0.2 . 1 . . . . . . . . . 5565 1
1074 . 1 1 90 90 VAL CG1 C 13 20.13 0.2 . 1 . . . . . . . . . 5565 1
1075 . 1 1 90 90 VAL CG2 C 13 20.13 0.2 . 1 . . . . . . . . . 5565 1
1076 . 1 1 90 90 VAL N N 15 123.77 0.2 . 1 . . . . . . . . . 5565 1
1077 . 1 1 91 91 LEU H H 1 7.94 0.2 . 1 . . . . . . . . . 5565 1
1078 . 1 1 91 91 LEU HA H 1 4.29 0.2 . 1 . . . . . . . . . 5565 1
1079 . 1 1 91 91 LEU HB2 H 1 1.53 0.2 . 1 . . . . . . . . . 5565 1
1080 . 1 1 91 91 LEU HB3 H 1 1.53 0.2 . 1 . . . . . . . . . 5565 1
1081 . 1 1 91 91 LEU HG H 1 1.56 0.2 . 1 . . . . . . . . . 5565 1
1082 . 1 1 91 91 LEU HD11 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1
1083 . 1 1 91 91 LEU HD12 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1
1084 . 1 1 91 91 LEU HD13 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1
1085 . 1 1 91 91 LEU HD21 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1
1086 . 1 1 91 91 LEU HD22 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1
1087 . 1 1 91 91 LEU HD23 H 1 0.81 0.2 . 1 . . . . . . . . . 5565 1
1088 . 1 1 91 91 LEU C C 13 181.65 0.2 . 1 . . . . . . . . . 5565 1
1089 . 1 1 91 91 LEU CA C 13 55.68 0.2 . 1 . . . . . . . . . 5565 1
1090 . 1 1 91 91 LEU CB C 13 43.15 0.2 . 1 . . . . . . . . . 5565 1
1091 . 1 1 91 91 LEU CG C 13 26.05 0.2 . 1 . . . . . . . . . 5565 1
1092 . 1 1 91 91 LEU CD1 C 13 23.55 0.2 . 1 . . . . . . . . . 5565 1
1093 . 1 1 91 91 LEU CD2 C 13 23.55 0.2 . 1 . . . . . . . . . 5565 1
1094 . 1 1 91 91 LEU N N 15 131.9 0.2 . 1 . . . . . . . . . 5565 1
stop_
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