data_36071
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 36071
_Entry.Title
;
NMR solution structure of the aromatic mutant H43F H67F cytochrome b5
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2017-04-04
_Entry.Accession_date 2017-06-08
_Entry.Last_release_date 2017-06-07
_Entry.Original_release_date 2017-06-07
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.0.16
_Entry.Original_NMR_STAR_version 3.1.1.99
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
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 B. Swati B. . . . 36071
2 P. Siddhartha P. S. . . 36071
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'ELECTRON TRANSPORT' . 36071
'aromatic interaction' . 36071
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 36071
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 302 36071
'15N chemical shifts' 84 36071
'1H chemical shifts' 497 36071
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
1 . . 2018-02-12 . original BMRB . 36071
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 36070 'NMR solution structure of the aromatic mutant H43W H67F cytochrome b5' 36071
PDB 5XEE 'BMRB Entry Tracking System' 36071
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 36071
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 28738155
_Citation.Full_citation .
_Citation.Title
;
Engineering Aromatic-Aromatic Interactions To Nucleate Folding in Intrinsically Disordered Regions of Proteins
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Biochemistry
_Citation.Journal_name_full Biochemistry
_Citation.Journal_volume 56
_Citation.Journal_issue 33
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 1520-4995
_Citation.Journal_CSD 0353
_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 4346
_Citation.Page_last 4359
_Citation.Year 2017
_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 Swati Balakrishnan S. . . . 36071 1
2 Siddhartha Sarma S. P. . . 36071 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 36071
_Assembly.ID 1
_Assembly.Name 'Cytochrome b5'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 entity_1 1 $entity_1 A A yes . . . . . . 36071 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 36071
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'Cytochrome b5'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
AEQSDKDVKYYTLEEIQKHK
DSKSTWVILHHKVYDLTKFL
EEFPGGEEVLREQAGGDATE
NFEDVGFSTDARELSKKYII
GELHPDDRSKIAKPSETL
;
_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 no
_Entity.Nstd_chirality .
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 98
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment 'UNP residues 2-99'
_Entity.Mutation 'H43F, H67F, T77K'
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 11275.436
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 1 ALA . 36071 1
2 2 GLU . 36071 1
3 3 GLN . 36071 1
4 4 SER . 36071 1
5 5 ASP . 36071 1
6 6 LYS . 36071 1
7 7 ASP . 36071 1
8 8 VAL . 36071 1
9 9 LYS . 36071 1
10 10 TYR . 36071 1
11 11 TYR . 36071 1
12 12 THR . 36071 1
13 13 LEU . 36071 1
14 14 GLU . 36071 1
15 15 GLU . 36071 1
16 16 ILE . 36071 1
17 17 GLN . 36071 1
18 18 LYS . 36071 1
19 19 HIS . 36071 1
20 20 LYS . 36071 1
21 21 ASP . 36071 1
22 22 SER . 36071 1
23 23 LYS . 36071 1
24 24 SER . 36071 1
25 25 THR . 36071 1
26 26 TRP . 36071 1
27 27 VAL . 36071 1
28 28 ILE . 36071 1
29 29 LEU . 36071 1
30 30 HIS . 36071 1
31 31 HIS . 36071 1
32 32 LYS . 36071 1
33 33 VAL . 36071 1
34 34 TYR . 36071 1
35 35 ASP . 36071 1
36 36 LEU . 36071 1
37 37 THR . 36071 1
38 38 LYS . 36071 1
39 39 PHE . 36071 1
40 40 LEU . 36071 1
41 41 GLU . 36071 1
42 42 GLU . 36071 1
43 43 PHE . 36071 1
44 44 PRO . 36071 1
45 45 GLY . 36071 1
46 46 GLY . 36071 1
47 47 GLU . 36071 1
48 48 GLU . 36071 1
49 49 VAL . 36071 1
50 50 LEU . 36071 1
51 51 ARG . 36071 1
52 52 GLU . 36071 1
53 53 GLN . 36071 1
54 54 ALA . 36071 1
55 55 GLY . 36071 1
56 56 GLY . 36071 1
57 57 ASP . 36071 1
58 58 ALA . 36071 1
59 59 THR . 36071 1
60 60 GLU . 36071 1
61 61 ASN . 36071 1
62 62 PHE . 36071 1
63 63 GLU . 36071 1
64 64 ASP . 36071 1
65 65 VAL . 36071 1
66 66 GLY . 36071 1
67 67 PHE . 36071 1
68 68 SER . 36071 1
69 69 THR . 36071 1
70 70 ASP . 36071 1
71 71 ALA . 36071 1
72 72 ARG . 36071 1
73 73 GLU . 36071 1
74 74 LEU . 36071 1
75 75 SER . 36071 1
76 76 LYS . 36071 1
77 77 LYS . 36071 1
78 78 TYR . 36071 1
79 79 ILE . 36071 1
80 80 ILE . 36071 1
81 81 GLY . 36071 1
82 82 GLU . 36071 1
83 83 LEU . 36071 1
84 84 HIS . 36071 1
85 85 PRO . 36071 1
86 86 ASP . 36071 1
87 87 ASP . 36071 1
88 88 ARG . 36071 1
89 89 SER . 36071 1
90 90 LYS . 36071 1
91 91 ILE . 36071 1
92 92 ALA . 36071 1
93 93 LYS . 36071 1
94 94 PRO . 36071 1
95 95 SER . 36071 1
96 96 GLU . 36071 1
97 97 THR . 36071 1
98 98 LEU . 36071 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
. ALA 1 1 36071 1
. GLU 2 2 36071 1
. GLN 3 3 36071 1
. SER 4 4 36071 1
. ASP 5 5 36071 1
. LYS 6 6 36071 1
. ASP 7 7 36071 1
. VAL 8 8 36071 1
. LYS 9 9 36071 1
. TYR 10 10 36071 1
. TYR 11 11 36071 1
. THR 12 12 36071 1
. LEU 13 13 36071 1
. GLU 14 14 36071 1
. GLU 15 15 36071 1
. ILE 16 16 36071 1
. GLN 17 17 36071 1
. LYS 18 18 36071 1
. HIS 19 19 36071 1
. LYS 20 20 36071 1
. ASP 21 21 36071 1
. SER 22 22 36071 1
. LYS 23 23 36071 1
. SER 24 24 36071 1
. THR 25 25 36071 1
. TRP 26 26 36071 1
. VAL 27 27 36071 1
. ILE 28 28 36071 1
. LEU 29 29 36071 1
. HIS 30 30 36071 1
. HIS 31 31 36071 1
. LYS 32 32 36071 1
. VAL 33 33 36071 1
. TYR 34 34 36071 1
. ASP 35 35 36071 1
. LEU 36 36 36071 1
. THR 37 37 36071 1
. LYS 38 38 36071 1
. PHE 39 39 36071 1
. LEU 40 40 36071 1
. GLU 41 41 36071 1
. GLU 42 42 36071 1
. PHE 43 43 36071 1
. PRO 44 44 36071 1
. GLY 45 45 36071 1
. GLY 46 46 36071 1
. GLU 47 47 36071 1
. GLU 48 48 36071 1
. VAL 49 49 36071 1
. LEU 50 50 36071 1
. ARG 51 51 36071 1
. GLU 52 52 36071 1
. GLN 53 53 36071 1
. ALA 54 54 36071 1
. GLY 55 55 36071 1
. GLY 56 56 36071 1
. ASP 57 57 36071 1
. ALA 58 58 36071 1
. THR 59 59 36071 1
. GLU 60 60 36071 1
. ASN 61 61 36071 1
. PHE 62 62 36071 1
. GLU 63 63 36071 1
. ASP 64 64 36071 1
. VAL 65 65 36071 1
. GLY 66 66 36071 1
. PHE 67 67 36071 1
. SER 68 68 36071 1
. THR 69 69 36071 1
. ASP 70 70 36071 1
. ALA 71 71 36071 1
. ARG 72 72 36071 1
. GLU 73 73 36071 1
. LEU 74 74 36071 1
. SER 75 75 36071 1
. LYS 76 76 36071 1
. LYS 77 77 36071 1
. TYR 78 78 36071 1
. ILE 79 79 36071 1
. ILE 80 80 36071 1
. GLY 81 81 36071 1
. GLU 82 82 36071 1
. LEU 83 83 36071 1
. HIS 84 84 36071 1
. PRO 85 85 36071 1
. ASP 86 86 36071 1
. ASP 87 87 36071 1
. ARG 88 88 36071 1
. SER 89 89 36071 1
. LYS 90 90 36071 1
. ILE 91 91 36071 1
. ALA 92 92 36071 1
. LYS 93 93 36071 1
. PRO 94 94 36071 1
. SER 95 95 36071 1
. GLU 96 96 36071 1
. THR 97 97 36071 1
. LEU 98 98 36071 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 36071
_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 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . 'Cyb5a, Cyb5' . 36071 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 36071
_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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 36071 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 36071
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '0.5 mM [U-99% 15N] FFcytb5, 90% H2O/10% D2O'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 FFcytb5 '[U-99% 15N]' . . 1 $entity_1 . protein 0.5 . . mM . . . . 36071 1
2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36071 1
3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36071 1
4 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36071 1
5 'sodium chloride' 'natural abundance' . . . . . salt 20 . . mM . . . . 36071 1
6 Proline+Arginine+Glutamate 'natural abundance' . . . . . salt 20 . . mM . . . . 36071 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 36071
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '0.5 mM [U-13C; U-15N] FFcytb5, 90% H2O/10% D2O'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 FFcytb5 '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.5 . . mM . . . . 36071 2
2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36071 2
3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36071 2
4 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36071 2
5 'sodium chloride' 'natural abundance' . . . . . salt 20 . . mM . . . . 36071 2
6 Proline+Arginine+Glutamate 'natural abundance' . . . . . salt 20 . . mM . . . . 36071 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 36071
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '0.5 mM [U-13C; U-15N; U-2H] FFcytb5, 90% H2O/10% D2O'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 FFcytb5 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . protein 0.5 . . mM . . . . 36071 3
2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36071 3
3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36071 3
4 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36071 3
5 'sodium chloride' 'natural abundance' . . . . . salt 20 . . mM . . . . 36071 3
6 Proline+Arginine+Glutamate 'natural abundance' . . . . . salt 20 . . mM . . . . 36071 3
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 36071
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 50 . mM 36071 1
pH 7 . pH 36071 1
pressure 1 . atm 36071 1
temperature 283 . K 36071 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 36071
_Software.ID 1
_Software.Type .
_Software.Name Analysis
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
CCPN . . 36071 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 36071 1
'peak picking' 36071 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 36071
_Software.ID 2
_Software.Type .
_Software.Name CNS
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger A. T. et.al.' . . 36071 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 36071 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 36071
_Software.ID 3
_Software.Type .
_Software.Name CYANA
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 36071 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure calculation' 36071 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 36071
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 36071
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model 'Uniform NMR System'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 36071
_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_1 Bruker Avance . 700 . . . 36071 1
2 NMR_spectrometer_2 Varian 'Uniform NMR System' . 600 . . . 36071 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 36071
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36071 1
2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36071 1
3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36071 1
4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36071 1
5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36071 1
6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36071 1
7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36071 1
8 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36071 1
9 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36071 1
10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36071 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chem_shift_reference_1
_Chem_shift_reference.Entry_ID 36071
_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 0.000 internal indirect 0.251449530 . . . . . 36071 1
H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36071 1
N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36071 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36071
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36071 1
2 '3D HNCACB' 2 $sample_2 isotropic 36071 1
3 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36071 1
4 '3D HNCA' 2 $sample_2 isotropic 36071 1
5 '3D HNCO' 2 $sample_2 isotropic 36071 1
6 '3D HN(CO)CA' 2 $sample_2 isotropic 36071 1
7 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36071 1
8 '3D 1H-15N NOESY' 3 $sample_3 isotropic 36071 1
9 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36071 1
10 '3D HCCH-TOCSY' 2 $sample_2 isotropic 36071 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 3 3 GLN HA H 1 4.298 . . 1 . . 961 . A 3 GLN HA . 36071 1
2 . 1 1 3 3 GLN HB2 H 1 1.604 0.006 . 1 . . 965 . A 3 GLN HB2 . 36071 1
3 . 1 1 3 3 GLN HG2 H 1 2.294 0.005 . 2 . . 663 . A 3 GLN HG2 . 36071 1
4 . 1 1 3 3 GLN HG3 H 1 2.360 . . 2 . . 960 . A 3 GLN HG3 . 36071 1
5 . 1 1 3 3 GLN C C 13 175.883 . . 1 . . 436 . A 3 GLN C . 36071 1
6 . 1 1 3 3 GLN CA C 13 55.961 0.021 . 1 . . 439 . A 3 GLN CA . 36071 1
7 . 1 1 3 3 GLN CB C 13 29.550 . . 1 . . 413 . A 3 GLN CB . 36071 1
8 . 1 1 3 3 GLN CG C 13 33.788 . . 1 . . 644 . A 3 GLN CG . 36071 1
9 . 1 1 4 4 SER H H 1 8.533 0.013 . 1 . . 1081 . A 4 SER H . 36071 1
10 . 1 1 4 4 SER HA H 1 4.414 0.009 . 1 . . 661 . A 4 SER HA . 36071 1
11 . 1 1 4 4 SER HB2 H 1 3.798 . . 2 . . 662 . A 4 SER HB2 . 36071 1
12 . 1 1 4 4 SER HB3 H 1 3.864 . . 2 . . 544 . A 4 SER HB3 . 36071 1
13 . 1 1 4 4 SER HG H 1 4.928 0.003 . 1 . . 1195 . A 4 SER HG . 36071 1
14 . 1 1 4 4 SER C C 13 174.550 . . 1 . . 437 . A 4 SER C . 36071 1
15 . 1 1 4 4 SER CA C 13 58.249 0.037 . 1 . . 429 . A 4 SER CA . 36071 1
16 . 1 1 4 4 SER CB C 13 63.813 0.042 . 1 . . 358 . A 4 SER CB . 36071 1
17 . 1 1 4 4 SER N N 15 117.470 0.196 . 1 . . 1080 . A 4 SER N . 36071 1
18 . 1 1 5 5 ASP H H 1 8.477 0.012 . 1 . . 356 . A 5 ASP H . 36071 1
19 . 1 1 5 5 ASP HA H 1 4.120 0.011 . 1 . . 539 . A 5 ASP HA . 36071 1
20 . 1 1 5 5 ASP HB2 H 1 2.294 0.007 . 1 . . 664 . A 5 ASP HB2 . 36071 1
21 . 1 1 5 5 ASP C C 13 177.394 . . 1 . . 438 . A 5 ASP C . 36071 1
22 . 1 1 5 5 ASP CA C 13 54.524 0.008 . 1 . . 428 . A 5 ASP CA . 36071 1
23 . 1 1 5 5 ASP CB C 13 40.940 0.068 . 1 . . 411 . A 5 ASP CB . 36071 1
24 . 1 1 5 5 ASP N N 15 122.676 0.192 . 1 . . 357 . A 5 ASP N . 36071 1
25 . 1 1 6 6 LYS H H 1 8.267 0.005 . 1 . . 361 . A 6 LYS H . 36071 1
26 . 1 1 6 6 LYS HA H 1 4.524 0.009 . 1 . . 564 . A 6 LYS HA . 36071 1
27 . 1 1 6 6 LYS HB2 H 1 1.947 . . 1 . . 580 . A 6 LYS HB2 . 36071 1
28 . 1 1 6 6 LYS HE2 H 1 2.562 . . 1 . . 847 . A 6 LYS HE2 . 36071 1
29 . 1 1 6 6 LYS CA C 13 56.326 . . 1 . . 430 . A 6 LYS CA . 36071 1
30 . 1 1 6 6 LYS N N 15 120.683 0.123 . 1 . . 362 . A 6 LYS N . 36071 1
31 . 1 1 8 8 VAL HA H 1 4.637 0.014 . 1 . . 962 . A 8 VAL HA . 36071 1
32 . 1 1 8 8 VAL HB H 1 2.704 0.0 . 1 . . 963 . A 8 VAL HB . 36071 1
33 . 1 1 8 8 VAL C C 13 175.001 . . 1 . . 440 . A 8 VAL C . 36071 1
34 . 1 1 8 8 VAL CB C 13 33.887 0.004 . 1 . . 407 . A 8 VAL CB . 36071 1
35 . 1 1 9 9 LYS H H 1 8.315 0.01 . 1 . . 1115 . A 9 LYS H . 36071 1
36 . 1 1 9 9 LYS HA H 1 4.032 0.022 . 1 . . 537 . A 9 LYS HA . 36071 1
37 . 1 1 9 9 LYS HB2 H 1 1.502 0.027 . 2 . . 581 . A 9 LYS HB2 . 36071 1
38 . 1 1 9 9 LYS HB3 H 1 2.172 0.012 . 2 . . 964 . A 9 LYS HB3 . 36071 1
39 . 1 1 9 9 LYS HD2 H 1 1.588 0.01 . 1 . . 1208 . A 9 LYS HD2 . 36071 1
40 . 1 1 9 9 LYS HD3 H 1 1.598 . . 1 . . 1209 . A 9 LYS HD3 . 36071 1
41 . 1 1 9 9 LYS HE2 H 1 2.490 0.024 . 1 . . 828 . A 9 LYS HE2 . 36071 1
42 . 1 1 9 9 LYS C C 13 176.248 . . 1 . . 441 . A 9 LYS C . 36071 1
43 . 1 1 9 9 LYS CA C 13 58.398 0.016 . 1 . . 431 . A 9 LYS CA . 36071 1
44 . 1 1 9 9 LYS CG C 13 24.404 . . 1 . . 639 . A 9 LYS CG . 36071 1
45 . 1 1 9 9 LYS CD C 13 28.823 . . 1 . . 640 . A 9 LYS CD . 36071 1
46 . 1 1 9 9 LYS CE C 13 41.923 . . 1 . . 641 . A 9 LYS CE . 36071 1
47 . 1 1 9 9 LYS N N 15 121.252 0.182 . 1 . . 1114 . A 9 LYS N . 36071 1
48 . 1 1 10 10 TYR H H 1 8.208 0.013 . 1 . . 1118 . A 10 TYR H . 36071 1
49 . 1 1 10 10 TYR HA H 1 4.676 0.016 . 1 . . 958 . A 10 TYR HA . 36071 1
50 . 1 1 10 10 TYR HB2 H 1 3.071 0.006 . 2 . . 582 . A 10 TYR HB2 . 36071 1
51 . 1 1 10 10 TYR HB3 H 1 2.579 0.021 . 2 . . 826 . A 10 TYR HB3 . 36071 1
52 . 1 1 10 10 TYR HD1 H 1 6.588 0.026 . 3 . . 827 . A 10 TYR HD1 . 36071 1
53 . 1 1 10 10 TYR HD2 H 1 6.588 0.026 . 3 . . 827 . A 10 TYR HD2 . 36071 1
54 . 1 1 10 10 TYR HE1 H 1 6.751 0.013 . 3 . . 982 . A 10 TYR HE1 . 36071 1
55 . 1 1 10 10 TYR HE2 H 1 6.751 0.013 . 3 . . 982 . A 10 TYR HE2 . 36071 1
56 . 1 1 10 10 TYR C C 13 176.264 . . 1 . . 442 . A 10 TYR C . 36071 1
57 . 1 1 10 10 TYR CA C 13 55.316 0.065 . 1 . . 314 . A 10 TYR CA . 36071 1
58 . 1 1 10 10 TYR CB C 13 41.184 0.041 . 1 . . 277 . A 10 TYR CB . 36071 1
59 . 1 1 10 10 TYR N N 15 120.990 0.071 . 1 . . 1117 . A 10 TYR N . 36071 1
60 . 1 1 11 11 TYR H H 1 8.763 0.012 . 1 . . 1005 . A 11 TYR H . 36071 1
61 . 1 1 11 11 TYR HA H 1 5.131 0.023 . 1 . . 530 . A 11 TYR HA . 36071 1
62 . 1 1 11 11 TYR HB2 H 1 3.161 0.02 . 2 . . 666 . A 11 TYR HB2 . 36071 1
63 . 1 1 11 11 TYR HB3 H 1 3.311 0.022 . 2 . . 667 . A 11 TYR HB3 . 36071 1
64 . 1 1 11 11 TYR HD1 H 1 6.517 0.009 . 3 . . 583 . A 11 TYR HD1 . 36071 1
65 . 1 1 11 11 TYR HD2 H 1 6.517 0.009 . 3 . . 583 . A 11 TYR HD2 . 36071 1
66 . 1 1 11 11 TYR HE1 H 1 6.861 0.023 . 3 . . 904 . A 11 TYR HE1 . 36071 1
67 . 1 1 11 11 TYR HE2 H 1 6.861 0.023 . 3 . . 904 . A 11 TYR HE2 . 36071 1
68 . 1 1 11 11 TYR C C 13 176.212 . . 1 . . 443 . A 11 TYR C . 36071 1
69 . 1 1 11 11 TYR CA C 13 56.820 0.024 . 1 . . 257 . A 11 TYR CA . 36071 1
70 . 1 1 11 11 TYR CB C 13 42.774 0.006 . 1 . . 264 . A 11 TYR CB . 36071 1
71 . 1 1 11 11 TYR N N 15 118.651 0.114 . 1 . . 1004 . A 11 TYR N . 36071 1
72 . 1 1 12 12 THR H H 1 9.495 0.016 . 1 . . 997 . A 12 THR H . 36071 1
73 . 1 1 12 12 THR HA H 1 4.549 0.028 . 1 . . 524 . A 12 THR HA . 36071 1
74 . 1 1 12 12 THR HB H 1 3.922 . . 1 . . 585 . A 12 THR HB . 36071 1
75 . 1 1 12 12 THR HG1 H 1 1.126 0.002 . 1 . . 586 . A 12 THR HG1 . 36071 1
76 . 1 1 12 12 THR HG21 H 1 0.882 0.023 . 1 . . 966 . A 12 THR HG21 . 36071 1
77 . 1 1 12 12 THR HG22 H 1 0.882 0.023 . 1 . . 966 . A 12 THR HG22 . 36071 1
78 . 1 1 12 12 THR HG23 H 1 0.882 0.023 . 1 . . 966 . A 12 THR HG23 . 36071 1
79 . 1 1 12 12 THR C C 13 175.589 . . 1 . . 444 . A 12 THR C . 36071 1
80 . 1 1 12 12 THR CA C 13 60.536 0.017 . 1 . . 370 . A 12 THR CA . 36071 1
81 . 1 1 12 12 THR CB C 13 70.629 0.017 . 1 . . 292 . A 12 THR CB . 36071 1
82 . 1 1 12 12 THR CG2 C 13 22.088 . . 1 . . 627 . A 12 THR CG2 . 36071 1
83 . 1 1 12 12 THR N N 15 115.644 0.155 . 1 . . 996 . A 12 THR N . 36071 1
84 . 1 1 13 13 LEU H H 1 9.717 0.024 . 1 . . 999 . A 13 LEU H . 36071 1
85 . 1 1 13 13 LEU HA H 1 3.950 0.028 . 1 . . 668 . A 13 LEU HA . 36071 1
86 . 1 1 13 13 LEU HB2 H 1 1.633 0.023 . 2 . . 829 . A 13 LEU HB2 . 36071 1
87 . 1 1 13 13 LEU HB3 H 1 1.905 0.027 . 2 . . 967 . A 13 LEU HB3 . 36071 1
88 . 1 1 13 13 LEU HG H 1 2.170 0.009 . 1 . . 665 . A 13 LEU HG . 36071 1
89 . 1 1 13 13 LEU HD11 H 1 0.774 0.017 . 2 . . 932 . A 13 LEU HD11 . 36071 1
90 . 1 1 13 13 LEU HD12 H 1 0.774 0.017 . 2 . . 932 . A 13 LEU HD12 . 36071 1
91 . 1 1 13 13 LEU HD13 H 1 0.774 0.017 . 2 . . 932 . A 13 LEU HD13 . 36071 1
92 . 1 1 13 13 LEU HD21 H 1 1.017 0.027 . 2 . . 587 . A 13 LEU HD21 . 36071 1
93 . 1 1 13 13 LEU HD22 H 1 1.017 0.027 . 2 . . 587 . A 13 LEU HD22 . 36071 1
94 . 1 1 13 13 LEU HD23 H 1 1.017 0.027 . 2 . . 587 . A 13 LEU HD23 . 36071 1
95 . 1 1 13 13 LEU C C 13 175.874 . . 1 . . 447 . A 13 LEU C . 36071 1
96 . 1 1 13 13 LEU CA C 13 58.380 0.035 . 1 . . 17 . A 13 LEU CA . 36071 1
97 . 1 1 13 13 LEU CB C 13 41.796 . . 1 . . 265 . A 13 LEU CB . 36071 1
98 . 1 1 13 13 LEU CD2 C 13 27.306 0.06 . 1 . . 1204 . A 13 LEU CD2 . 36071 1
99 . 1 1 13 13 LEU N N 15 123.310 0.079 . 1 . . 998 . A 13 LEU N . 36071 1
100 . 1 1 14 14 GLU H H 1 8.356 0.014 . 1 . . 1113 . A 14 GLU H . 36071 1
101 . 1 1 14 14 GLU HA H 1 4.938 0.022 . 1 . . 970 . A 14 GLU HA . 36071 1
102 . 1 1 14 14 GLU HB2 H 1 1.900 0.013 . 1 . . 588 . A 14 GLU HB2 . 36071 1
103 . 1 1 14 14 GLU HG2 H 1 2.299 0.014 . 1 . . 968 . A 14 GLU HG2 . 36071 1
104 . 1 1 14 14 GLU C C 13 176.660 . . 1 . . 448 . A 14 GLU C . 36071 1
105 . 1 1 14 14 GLU CA C 13 56.829 0.002 . 1 . . 446 . A 14 GLU CA . 36071 1
106 . 1 1 14 14 GLU CB C 13 30.248 0.081 . 1 . . 366 . A 14 GLU CB . 36071 1
107 . 1 1 14 14 GLU N N 15 120.898 0.161 . 1 . . 1112 . A 14 GLU N . 36071 1
108 . 1 1 15 15 GLU H H 1 8.590 0.006 . 1 . . 3 . A 15 GLU H . 36071 1
109 . 1 1 15 15 GLU HA H 1 4.137 0.018 . 1 . . 540 . A 15 GLU HA . 36071 1
110 . 1 1 15 15 GLU HB2 H 1 2.014 0.027 . 1 . . 589 . A 15 GLU HB2 . 36071 1
111 . 1 1 15 15 GLU HG2 H 1 2.180 0.004 . 1 . . 669 . A 15 GLU HG2 . 36071 1
112 . 1 1 15 15 GLU C C 13 177.136 . . 1 . . 449 . A 15 GLU C . 36071 1
113 . 1 1 15 15 GLU CA C 13 56.938 0.019 . 1 . . 299 . A 15 GLU CA . 36071 1
114 . 1 1 15 15 GLU CB C 13 29.887 0.04 . 1 . . 445 . A 15 GLU CB . 36071 1
115 . 1 1 15 15 GLU CG C 13 36.266 0.011 . 1 . . 642 . A 15 GLU CG . 36071 1
116 . 1 1 15 15 GLU N N 15 122.400 0.018 . 1 . . 969 . A 15 GLU N . 36071 1
117 . 1 1 16 16 ILE H H 1 8.196 0.009 . 1 . . 1130 . A 16 ILE H . 36071 1
118 . 1 1 16 16 ILE HA H 1 3.978 . . 1 . . 590 . A 16 ILE HA . 36071 1
119 . 1 1 16 16 ILE HB H 1 1.539 0.027 . 1 . . 591 . A 16 ILE HB . 36071 1
120 . 1 1 16 16 ILE HD11 H 1 0.798 0.02 . 1 . . 905 . A 16 ILE HD11 . 36071 1
121 . 1 1 16 16 ILE HD12 H 1 0.798 0.02 . 1 . . 905 . A 16 ILE HD12 . 36071 1
122 . 1 1 16 16 ILE HD13 H 1 0.798 0.02 . 1 . . 905 . A 16 ILE HD13 . 36071 1
123 . 1 1 16 16 ILE CA C 13 55.790 0.04 . 1 . . 369 . A 16 ILE CA . 36071 1
124 . 1 1 16 16 ILE CB C 13 41.850 . . 1 . . 409 . A 16 ILE CB . 36071 1
125 . 1 1 16 16 ILE CD1 C 13 12.385 0.041 . 1 . . 992 . A 16 ILE CD1 . 36071 1
126 . 1 1 16 16 ILE N N 15 122.452 0.187 . 1 . . 1129 . A 16 ILE N . 36071 1
127 . 1 1 17 17 GLN H H 1 8.484 . . 1 . . 693 . A 17 GLN H . 36071 1
128 . 1 1 17 17 GLN C C 13 175.317 . . 1 . . 770 . A 17 GLN C . 36071 1
129 . 1 1 17 17 GLN N N 15 120.462 . . 1 . . 692 . A 17 GLN N . 36071 1
130 . 1 1 18 18 LYS HA H 1 4.151 . . 1 . . 561 . A 18 LYS HA . 36071 1
131 . 1 1 19 19 HIS H H 1 7.202 . . 1 . . 934 . A 19 HIS H . 36071 1
132 . 1 1 19 19 HIS HA H 1 4.942 0.015 . 1 . . 971 . A 19 HIS HA . 36071 1
133 . 1 1 19 19 HIS HB2 H 1 3.067 . . 1 . . 1225 . A 19 HIS HB2 . 36071 1
134 . 1 1 19 19 HIS HB3 H 1 3.067 . . 1 . . 1226 . A 19 HIS HB3 . 36071 1
135 . 1 1 19 19 HIS HD1 H 1 6.926 0.008 . 1 . . 929 . A 19 HIS HD1 . 36071 1
136 . 1 1 19 19 HIS C C 13 176.481 . . 1 . . 450 . A 19 HIS C . 36071 1
137 . 1 1 19 19 HIS CA C 13 56.926 0.0 . 1 . . 19 . A 19 HIS CA . 36071 1
138 . 1 1 19 19 HIS CB C 13 29.993 0.076 . 1 . . 386 . A 19 HIS CB . 36071 1
139 . 1 1 20 20 LYS H H 1 8.131 0.007 . 1 . . 7 . A 20 LYS H . 36071 1
140 . 1 1 20 20 LYS HA H 1 3.978 0.0 . 1 . . 935 . A 20 LYS HA . 36071 1
141 . 1 1 20 20 LYS HB2 H 1 1.888 . . 1 . . 594 . A 20 LYS HB2 . 36071 1
142 . 1 1 20 20 LYS HG2 H 1 1.515 . . 1 . . 1210 . A 20 LYS HG2 . 36071 1
143 . 1 1 20 20 LYS HD2 H 1 1.742 . . 1 . . 593 . A 20 LYS HD2 . 36071 1
144 . 1 1 20 20 LYS C C 13 176.130 . . 1 . . 451 . A 20 LYS C . 36071 1
145 . 1 1 20 20 LYS CA C 13 62.489 0.003 . 1 . . 354 . A 20 LYS CA . 36071 1
146 . 1 1 20 20 LYS CB C 13 32.826 0.007 . 1 . . 433 . A 20 LYS CB . 36071 1
147 . 1 1 20 20 LYS N N 15 122.216 0.078 . 1 . . 8 . A 20 LYS N . 36071 1
148 . 1 1 21 21 ASP H H 1 8.317 0.009 . 1 . . 352 . A 21 ASP H . 36071 1
149 . 1 1 21 21 ASP HA H 1 4.233 0.008 . 1 . . 575 . A 21 ASP HA . 36071 1
150 . 1 1 21 21 ASP HB2 H 1 2.682 . . 2 . . 833 . A 21 ASP HB2 . 36071 1
151 . 1 1 21 21 ASP HB3 H 1 2.559 0.016 . 2 . . 891 . A 21 ASP HB3 . 36071 1
152 . 1 1 21 21 ASP C C 13 178.922 . . 1 . . 452 . A 21 ASP C . 36071 1
153 . 1 1 21 21 ASP CA C 13 55.349 . . 1 . . 355 . A 21 ASP CA . 36071 1
154 . 1 1 21 21 ASP CB C 13 41.984 0.056 . 1 . . 422 . A 21 ASP CB . 36071 1
155 . 1 1 21 21 ASP N N 15 126.223 0.082 . 1 . . 353 . A 21 ASP N . 36071 1
156 . 1 1 22 22 SER H H 1 7.981 0.011 . 1 . . 1055 . A 22 SER H . 36071 1
157 . 1 1 22 22 SER HA H 1 3.861 0.013 . 1 . . 550 . A 22 SER HA . 36071 1
158 . 1 1 22 22 SER HB2 H 1 4.098 0.026 . 1 . . 830 . A 22 SER HB2 . 36071 1
159 . 1 1 22 22 SER HG H 1 6.870 0.016 . 1 . . 936 . A 22 SER HG . 36071 1
160 . 1 1 22 22 SER C C 13 175.832 . . 1 . . 453 . A 22 SER C . 36071 1
161 . 1 1 22 22 SER CA C 13 61.178 0.031 . 1 . . 16 . A 22 SER CA . 36071 1
162 . 1 1 22 22 SER CB C 13 62.986 0.023 . 1 . . 381 . A 22 SER CB . 36071 1
163 . 1 1 22 22 SER N N 15 112.852 0.061 . 1 . . 1054 . A 22 SER N . 36071 1
164 . 1 1 23 23 LYS H H 1 8.115 0.012 . 1 . . 1122 . A 23 LYS H . 36071 1
165 . 1 1 23 23 LYS HA H 1 4.110 0.02 . 1 . . 567 . A 23 LYS HA . 36071 1
166 . 1 1 23 23 LYS HB2 H 1 2.020 0.013 . 2 . . 831 . A 23 LYS HB2 . 36071 1
167 . 1 1 23 23 LYS HB3 H 1 1.939 . . 2 . . 1213 . A 23 LYS HB3 . 36071 1
168 . 1 1 23 23 LYS HG2 H 1 1.673 0.018 . 1 . . 1207 . A 23 LYS HG2 . 36071 1
169 . 1 1 23 23 LYS HG3 H 1 1.688 0.02 . 1 . . 832 . A 23 LYS HG3 . 36071 1
170 . 1 1 23 23 LYS HD2 H 1 1.329 . . 1 . . 896 . A 23 LYS HD2 . 36071 1
171 . 1 1 23 23 LYS HZ1 H 1 7.520 0.012 . 1 . . 937 . A 23 LYS HZ1 . 36071 1
172 . 1 1 23 23 LYS HZ2 H 1 7.520 0.012 . 1 . . 937 . A 23 LYS HZ2 . 36071 1
173 . 1 1 23 23 LYS HZ3 H 1 7.520 0.012 . 1 . . 937 . A 23 LYS HZ3 . 36071 1
174 . 1 1 23 23 LYS C C 13 177.274 . . 1 . . 454 . A 23 LYS C . 36071 1
175 . 1 1 23 23 LYS CA C 13 57.586 0.032 . 1 . . 271 . A 23 LYS CA . 36071 1
176 . 1 1 23 23 LYS CB C 13 32.323 0.039 . 1 . . 432 . A 23 LYS CB . 36071 1
177 . 1 1 23 23 LYS CG C 13 25.035 . . 1 . . 635 . A 23 LYS CG . 36071 1
178 . 1 1 23 23 LYS CD C 13 28.784 . . 1 . . 307 . A 23 LYS CD . 36071 1
179 . 1 1 23 23 LYS CE C 13 41.938 . . 1 . . 266 . A 23 LYS CE . 36071 1
180 . 1 1 23 23 LYS N N 15 121.128 0.107 . 1 . . 1121 . A 23 LYS N . 36071 1
181 . 1 1 24 24 SER H H 1 7.603 0.009 . 1 . . 1053 . A 24 SER H . 36071 1
182 . 1 1 24 24 SER HA H 1 4.647 0.021 . 1 . . 551 . A 24 SER HA . 36071 1
183 . 1 1 24 24 SER HB2 H 1 3.749 0.02 . 1 . . 596 . A 24 SER HB2 . 36071 1
184 . 1 1 24 24 SER C C 13 173.317 . . 1 . . 455 . A 24 SER C . 36071 1
185 . 1 1 24 24 SER CA C 13 57.870 0.086 . 1 . . 13 . A 24 SER CA . 36071 1
186 . 1 1 24 24 SER CB C 13 62.549 0.056 . 1 . . 390 . A 24 SER CB . 36071 1
187 . 1 1 24 24 SER N N 15 114.031 0.09 . 1 . . 1052 . A 24 SER N . 36071 1
188 . 1 1 25 25 THR H H 1 9.262 0.019 . 1 . . 1009 . A 25 THR H . 36071 1
189 . 1 1 25 25 THR HA H 1 4.663 0.004 . 1 . . 835 . A 25 THR HA . 36071 1
190 . 1 1 25 25 THR HB H 1 4.255 0.02 . 1 . . 938 . A 25 THR HB . 36071 1
191 . 1 1 25 25 THR HG1 H 1 6.675 0.008 . 1 . . 1211 . A 25 THR HG1 . 36071 1
192 . 1 1 25 25 THR HG21 H 1 1.217 0.017 . 1 . . 834 . A 25 THR HG21 . 36071 1
193 . 1 1 25 25 THR HG22 H 1 1.217 0.017 . 1 . . 834 . A 25 THR HG22 . 36071 1
194 . 1 1 25 25 THR HG23 H 1 1.217 0.017 . 1 . . 834 . A 25 THR HG23 . 36071 1
195 . 1 1 25 25 THR C C 13 172.811 . . 1 . . 456 . A 25 THR C . 36071 1
196 . 1 1 25 25 THR CA C 13 61.767 0.022 . 1 . . 368 . A 25 THR CA . 36071 1
197 . 1 1 25 25 THR CB C 13 71.158 0.004 . 1 . . 391 . A 25 THR CB . 36071 1
198 . 1 1 25 25 THR N N 15 124.684 0.078 . 1 . . 1008 . A 25 THR N . 36071 1
199 . 1 1 26 26 TRP H H 1 8.841 0.034 . 1 . . 1017 . A 26 TRP H . 36071 1
200 . 1 1 26 26 TRP HA H 1 6.084 0.01 . 1 . . 529 . A 26 TRP HA . 36071 1
201 . 1 1 26 26 TRP HB2 H 1 3.081 0.015 . 2 . . 597 . A 26 TRP HB2 . 36071 1
202 . 1 1 26 26 TRP HB3 H 1 2.815 0.025 . 2 . . 906 . A 26 TRP HB3 . 36071 1
203 . 1 1 26 26 TRP HD1 H 1 6.856 0.026 . 1 . . 598 . A 26 TRP HD1 . 36071 1
204 . 1 1 26 26 TRP HE1 H 1 9.270 0.005 . 1 . . 1223 . A 26 TRP HE1 . 36071 1
205 . 1 1 26 26 TRP HE3 H 1 7.773 0.026 . 1 . . 599 . A 26 TRP HE3 . 36071 1
206 . 1 1 26 26 TRP HZ2 H 1 7.515 0.015 . 1 . . 595 . A 26 TRP HZ2 . 36071 1
207 . 1 1 26 26 TRP C C 13 175.944 . . 1 . . 457 . A 26 TRP C . 36071 1
208 . 1 1 26 26 TRP CA C 13 52.594 0.03 . 1 . . 9 . A 26 TRP CA . 36071 1
209 . 1 1 26 26 TRP CB C 13 32.498 0.042 . 1 . . 275 . A 26 TRP CB . 36071 1
210 . 1 1 26 26 TRP N N 15 127.369 0.093 . 1 . . 1016 . A 26 TRP N . 36071 1
211 . 1 1 26 26 TRP NE1 N 15 126.038 0.033 . 1 . . 1224 . A 26 TRP NE1 . 36071 1
212 . 1 1 27 27 VAL H H 1 8.904 0.015 . 1 . . 1001 . A 27 VAL H . 36071 1
213 . 1 1 27 27 VAL HA H 1 4.694 0.025 . 1 . . 527 . A 27 VAL HA . 36071 1
214 . 1 1 27 27 VAL HB H 1 2.014 0.004 . 1 . . 601 . A 27 VAL HB . 36071 1
215 . 1 1 27 27 VAL HG11 H 1 0.898 0.025 . 2 . . 991 . A 27 VAL HG11 . 36071 1
216 . 1 1 27 27 VAL HG12 H 1 0.898 0.025 . 2 . . 991 . A 27 VAL HG12 . 36071 1
217 . 1 1 27 27 VAL HG13 H 1 0.898 0.025 . 2 . . 991 . A 27 VAL HG13 . 36071 1
218 . 1 1 27 27 VAL HG21 H 1 0.780 0.019 . 2 . . 821 . A 27 VAL HG21 . 36071 1
219 . 1 1 27 27 VAL HG22 H 1 0.780 0.019 . 2 . . 821 . A 27 VAL HG22 . 36071 1
220 . 1 1 27 27 VAL HG23 H 1 0.780 0.019 . 2 . . 821 . A 27 VAL HG23 . 36071 1
221 . 1 1 27 27 VAL C C 13 173.553 . . 1 . . 458 . A 27 VAL C . 36071 1
222 . 1 1 27 27 VAL CA C 13 59.371 0.05 . 1 . . 258 . A 27 VAL CA . 36071 1
223 . 1 1 27 27 VAL CB C 13 36.316 0.03 . 1 . . 269 . A 27 VAL CB . 36071 1
224 . 1 1 27 27 VAL CG1 C 13 21.923 0.033 . 2 . . 632 . A 27 VAL CG1 . 36071 1
225 . 1 1 27 27 VAL CG2 C 13 20.703 0.056 . 2 . . 631 . A 27 VAL CG2 . 36071 1
226 . 1 1 27 27 VAL N N 15 115.324 0.119 . 1 . . 1000 . A 27 VAL N . 36071 1
227 . 1 1 28 28 ILE H H 1 8.696 0.013 . 1 . . 1091 . A 28 ILE H . 36071 1
228 . 1 1 28 28 ILE HA H 1 5.183 0.018 . 1 . . 531 . A 28 ILE HA . 36071 1
229 . 1 1 28 28 ILE HB H 1 1.755 0.011 . 1 . . 602 . A 28 ILE HB . 36071 1
230 . 1 1 28 28 ILE HG12 H 1 0.613 . . 1 . . 823 . A 28 ILE HG12 . 36071 1
231 . 1 1 28 28 ILE HG21 H 1 0.229 0.027 . 1 . . 1205 . A 28 ILE HG21 . 36071 1
232 . 1 1 28 28 ILE HG22 H 1 0.229 0.027 . 1 . . 1205 . A 28 ILE HG22 . 36071 1
233 . 1 1 28 28 ILE HG23 H 1 0.229 0.027 . 1 . . 1205 . A 28 ILE HG23 . 36071 1
234 . 1 1 28 28 ILE HD11 H 1 0.854 0.008 . 1 . . 815 . A 28 ILE HD11 . 36071 1
235 . 1 1 28 28 ILE HD12 H 1 0.854 0.008 . 1 . . 815 . A 28 ILE HD12 . 36071 1
236 . 1 1 28 28 ILE HD13 H 1 0.854 0.008 . 1 . . 815 . A 28 ILE HD13 . 36071 1
237 . 1 1 28 28 ILE C C 13 176.267 . . 1 . . 462 . A 28 ILE C . 36071 1
238 . 1 1 28 28 ILE CA C 13 59.759 0.072 . 1 . . 304 . A 28 ILE CA . 36071 1
239 . 1 1 28 28 ILE CB C 13 39.781 . . 1 . . 397 . A 28 ILE CB . 36071 1
240 . 1 1 28 28 ILE CD1 C 13 12.537 0.13 . 1 . . 993 . A 28 ILE CD1 . 36071 1
241 . 1 1 28 28 ILE N N 15 122.844 0.099 . 1 . . 1090 . A 28 ILE N . 36071 1
242 . 1 1 29 29 LEU H H 1 9.263 0.013 . 1 . . 1015 . A 29 LEU H . 36071 1
243 . 1 1 29 29 LEU HA H 1 4.556 0.01 . 1 . . 603 . A 29 LEU HA . 36071 1
244 . 1 1 29 29 LEU HB2 H 1 1.596 0.024 . 1 . . 605 . A 29 LEU HB2 . 36071 1
245 . 1 1 29 29 LEU HG H 1 1.401 0.018 . 1 . . 606 . A 29 LEU HG . 36071 1
246 . 1 1 29 29 LEU HD21 H 1 0.754 0.027 . 1 . . 604 . A 29 LEU HD21 . 36071 1
247 . 1 1 29 29 LEU HD22 H 1 0.754 0.027 . 1 . . 604 . A 29 LEU HD22 . 36071 1
248 . 1 1 29 29 LEU HD23 H 1 0.754 0.027 . 1 . . 604 . A 29 LEU HD23 . 36071 1
249 . 1 1 29 29 LEU C C 13 178.986 . . 1 . . 393 . A 29 LEU C . 36071 1
250 . 1 1 29 29 LEU CA C 13 54.843 . . 1 . . 400 . A 29 LEU CA . 36071 1
251 . 1 1 29 29 LEU CB C 13 42.678 . . 1 . . 681 . A 29 LEU CB . 36071 1
252 . 1 1 29 29 LEU N N 15 128.884 0.123 . 1 . . 1014 . A 29 LEU N . 36071 1
253 . 1 1 30 30 HIS H H 1 9.271 0.009 . 1 . . 1011 . A 30 HIS H . 36071 1
254 . 1 1 30 30 HIS HA H 1 4.867 0.025 . 1 . . 576 . A 30 HIS HA . 36071 1
255 . 1 1 30 30 HIS HB2 H 1 3.215 0.008 . 2 . . 607 . A 30 HIS HB2 . 36071 1
256 . 1 1 30 30 HIS HB3 H 1 2.283 . . 2 . . 670 . A 30 HIS HB3 . 36071 1
257 . 1 1 30 30 HIS HD1 H 1 6.826 0.027 . 1 . . 608 . A 30 HIS HD1 . 36071 1
258 . 1 1 30 30 HIS HD2 H 1 6.179 0.005 . 1 . . 972 . A 30 HIS HD2 . 36071 1
259 . 1 1 30 30 HIS HE1 H 1 8.299 . . 1 . . 836 . A 30 HIS HE1 . 36071 1
260 . 1 1 30 30 HIS HE2 H 1 7.767 . . 1 . . 907 . A 30 HIS HE2 . 36071 1
261 . 1 1 30 30 HIS C C 13 178.541 . . 1 . . 262 . A 30 HIS C . 36071 1
262 . 1 1 30 30 HIS CA C 13 56.596 0.043 . 1 . . 20 . A 30 HIS CA . 36071 1
263 . 1 1 30 30 HIS CB C 13 30.579 0.0 . 1 . . 388 . A 30 HIS CB . 36071 1
264 . 1 1 30 30 HIS N N 15 125.938 0.119 . 1 . . 1010 . A 30 HIS N . 36071 1
265 . 1 1 31 31 HIS H H 1 8.306 0.02 . 1 . . 1073 . A 31 HIS H . 36071 1
266 . 1 1 31 31 HIS HA H 1 3.931 0.015 . 1 . . 940 . A 31 HIS HA . 36071 1
267 . 1 1 31 31 HIS HB2 H 1 2.454 0.027 . 1 . . 671 . A 31 HIS HB2 . 36071 1
268 . 1 1 31 31 HIS HD1 H 1 7.294 0.012 . 1 . . 609 . A 31 HIS HD1 . 36071 1
269 . 1 1 31 31 HIS HE1 H 1 7.766 0.014 . 1 . . 908 . A 31 HIS HE1 . 36071 1
270 . 1 1 31 31 HIS C C 13 176.337 . . 1 . . 459 . A 31 HIS C . 36071 1
271 . 1 1 31 31 HIS CA C 13 57.656 0.025 . 1 . . 425 . A 31 HIS CA . 36071 1
272 . 1 1 31 31 HIS CB C 13 28.219 0.062 . 1 . . 308 . A 31 HIS CB . 36071 1
273 . 1 1 31 31 HIS N N 15 116.600 0.157 . 1 . . 1072 . A 31 HIS N . 36071 1
274 . 1 1 32 32 LYS H H 1 7.293 0.01 . 1 . . 1037 . A 32 LYS H . 36071 1
275 . 1 1 32 32 LYS HA H 1 4.023 0.019 . 1 . . 555 . A 32 LYS HA . 36071 1
276 . 1 1 32 32 LYS HB2 H 1 2.095 0.032 . 1 . . 838 . A 32 LYS HB2 . 36071 1
277 . 1 1 32 32 LYS HG2 H 1 1.236 0.023 . 2 . . 840 . A 32 LYS HG2 . 36071 1
278 . 1 1 32 32 LYS HG3 H 1 1.187 0.019 . 2 . . 944 . A 32 LYS HG3 . 36071 1
279 . 1 1 32 32 LYS HD2 H 1 1.593 0.008 . 1 . . 839 . A 32 LYS HD2 . 36071 1
280 . 1 1 32 32 LYS HE2 H 1 2.830 . . 1 . . 600 . A 32 LYS HE2 . 36071 1
281 . 1 1 32 32 LYS C C 13 173.967 . . 1 . . 460 . A 32 LYS C . 36071 1
282 . 1 1 32 32 LYS CA C 13 56.687 . . 1 . . 15 . A 32 LYS CA . 36071 1
283 . 1 1 32 32 LYS CB C 13 32.195 . . 1 . . 421 . A 32 LYS CB . 36071 1
284 . 1 1 32 32 LYS N N 15 116.294 0.168 . 1 . . 1036 . A 32 LYS N . 36071 1
285 . 1 1 33 33 VAL H H 1 8.514 0.016 . 1 . . 403 . A 33 VAL H . 36071 1
286 . 1 1 33 33 VAL HA H 1 4.676 0.021 . 1 . . 611 . A 33 VAL HA . 36071 1
287 . 1 1 33 33 VAL HB H 1 2.166 0.018 . 1 . . 615 . A 33 VAL HB . 36071 1
288 . 1 1 33 33 VAL HG11 H 1 0.700 0.027 . 2 . . 612 . A 33 VAL HG11 . 36071 1
289 . 1 1 33 33 VAL HG12 H 1 0.700 0.027 . 2 . . 612 . A 33 VAL HG12 . 36071 1
290 . 1 1 33 33 VAL HG13 H 1 0.700 0.027 . 2 . . 612 . A 33 VAL HG13 . 36071 1
291 . 1 1 33 33 VAL HG21 H 1 0.243 0.021 . 2 . . 819 . A 33 VAL HG21 . 36071 1
292 . 1 1 33 33 VAL HG22 H 1 0.243 0.021 . 2 . . 819 . A 33 VAL HG22 . 36071 1
293 . 1 1 33 33 VAL HG23 H 1 0.243 0.021 . 2 . . 819 . A 33 VAL HG23 . 36071 1
294 . 1 1 33 33 VAL C C 13 174.305 . . 1 . . 461 . A 33 VAL C . 36071 1
295 . 1 1 33 33 VAL CA C 13 61.265 0.011 . 1 . . 405 . A 33 VAL CA . 36071 1
296 . 1 1 33 33 VAL CB C 13 32.349 0.023 . 1 . . 270 . A 33 VAL CB . 36071 1
297 . 1 1 33 33 VAL CG2 C 13 21.901 0.001 . 1 . . 628 . A 33 VAL CG2 . 36071 1
298 . 1 1 33 33 VAL N N 15 121.530 0.062 . 1 . . 404 . A 33 VAL N . 36071 1
299 . 1 1 34 34 TYR H H 1 9.493 0.015 . 1 . . 1013 . A 34 TYR H . 36071 1
300 . 1 1 34 34 TYR HA H 1 4.934 0.009 . 1 . . 525 . A 34 TYR HA . 36071 1
301 . 1 1 34 34 TYR HB2 H 1 2.691 0.019 . 1 . . 613 . A 34 TYR HB2 . 36071 1
302 . 1 1 34 34 TYR HD1 H 1 6.825 0.021 . 3 . . 614 . A 34 TYR HD1 . 36071 1
303 . 1 1 34 34 TYR HD2 H 1 6.825 0.021 . 3 . . 614 . A 34 TYR HD2 . 36071 1
304 . 1 1 34 34 TYR HE1 H 1 6.315 0.016 . 3 . . 610 . A 34 TYR HE1 . 36071 1
305 . 1 1 34 34 TYR HE2 H 1 6.315 0.016 . 3 . . 610 . A 34 TYR HE2 . 36071 1
306 . 1 1 34 34 TYR C C 13 175.496 . . 1 . . 463 . A 34 TYR C . 36071 1
307 . 1 1 34 34 TYR CA C 13 56.125 0.034 . 1 . . 420 . A 34 TYR CA . 36071 1
308 . 1 1 34 34 TYR CB C 13 41.365 0.056 . 1 . . 419 . A 34 TYR CB . 36071 1
309 . 1 1 34 34 TYR N N 15 125.707 0.128 . 1 . . 1012 . A 34 TYR N . 36071 1
310 . 1 1 35 35 ASP H H 1 8.439 0.014 . 1 . . 1109 . A 35 ASP H . 36071 1
311 . 1 1 35 35 ASP HA H 1 4.840 0.011 . 1 . . 562 . A 35 ASP HA . 36071 1
312 . 1 1 35 35 ASP HB2 H 1 2.680 0.013 . 2 . . 842 . A 35 ASP HB2 . 36071 1
313 . 1 1 35 35 ASP HB3 H 1 3.155 0.023 . 2 . . 973 . A 35 ASP HB3 . 36071 1
314 . 1 1 35 35 ASP C C 13 175.536 . . 1 . . 464 . A 35 ASP C . 36071 1
315 . 1 1 35 35 ASP CA C 13 52.893 0.062 . 1 . . 248 . A 35 ASP CA . 36071 1
316 . 1 1 35 35 ASP CB C 13 40.060 . . 1 . . 281 . A 35 ASP CB . 36071 1
317 . 1 1 35 35 ASP N N 15 120.013 0.061 . 1 . . 1108 . A 35 ASP N . 36071 1
318 . 1 1 36 36 LEU H H 1 8.309 0.009 . 1 . . 1021 . A 36 LEU H . 36071 1
319 . 1 1 36 36 LEU HA H 1 4.016 0.018 . 1 . . 534 . A 36 LEU HA . 36071 1
320 . 1 1 36 36 LEU HB2 H 1 1.760 0.021 . 2 . . 974 . A 36 LEU HB2 . 36071 1
321 . 1 1 36 36 LEU HB3 H 1 2.145 0.008 . 2 . . 976 . A 36 LEU HB3 . 36071 1
322 . 1 1 36 36 LEU HG H 1 1.219 0.02 . 1 . . 975 . A 36 LEU HG . 36071 1
323 . 1 1 36 36 LEU HD11 H 1 0.796 0.018 . 2 . . 616 . A 36 LEU HD11 . 36071 1
324 . 1 1 36 36 LEU HD12 H 1 0.796 0.018 . 2 . . 616 . A 36 LEU HD12 . 36071 1
325 . 1 1 36 36 LEU HD13 H 1 0.796 0.018 . 2 . . 616 . A 36 LEU HD13 . 36071 1
326 . 1 1 36 36 LEU HD21 H 1 0.247 0.019 . 2 . . 939 . A 36 LEU HD21 . 36071 1
327 . 1 1 36 36 LEU HD22 H 1 0.247 0.019 . 2 . . 939 . A 36 LEU HD22 . 36071 1
328 . 1 1 36 36 LEU HD23 H 1 0.247 0.019 . 2 . . 939 . A 36 LEU HD23 . 36071 1
329 . 1 1 36 36 LEU C C 13 177.396 . . 1 . . 465 . A 36 LEU C . 36071 1
330 . 1 1 36 36 LEU CA C 13 57.295 0.008 . 1 . . 392 . A 36 LEU CA . 36071 1
331 . 1 1 36 36 LEU CB C 13 42.463 0.07 . 1 . . 311 . A 36 LEU CB . 36071 1
332 . 1 1 36 36 LEU CD2 C 13 24.146 0.086 . 1 . . 1203 . A 36 LEU CD2 . 36071 1
333 . 1 1 36 36 LEU N N 15 127.051 0.063 . 1 . . 1020 . A 36 LEU N . 36071 1
334 . 1 1 37 37 THR H H 1 8.173 0.014 . 1 . . 1059 . A 37 THR H . 36071 1
335 . 1 1 37 37 THR HA H 1 3.752 0.023 . 1 . . 617 . A 37 THR HA . 36071 1
336 . 1 1 37 37 THR HB H 1 4.345 0.025 . 1 . . 618 . A 37 THR HB . 36071 1
337 . 1 1 37 37 THR HG1 H 1 7.056 0.012 . 1 . . 1214 . A 37 THR HG1 . 36071 1
338 . 1 1 37 37 THR HG21 H 1 1.235 0.024 . 1 . . 619 . A 37 THR HG21 . 36071 1
339 . 1 1 37 37 THR HG22 H 1 1.235 0.024 . 1 . . 619 . A 37 THR HG22 . 36071 1
340 . 1 1 37 37 THR HG23 H 1 1.235 0.024 . 1 . . 619 . A 37 THR HG23 . 36071 1
341 . 1 1 37 37 THR C C 13 177.062 . . 1 . . 466 . A 37 THR C . 36071 1
342 . 1 1 37 37 THR CA C 13 67.418 0.056 . 1 . . 250 . A 37 THR CA . 36071 1
343 . 1 1 37 37 THR CB C 13 69.119 . . 1 . . 272 . A 37 THR CB . 36071 1
344 . 1 1 37 37 THR CG2 C 13 22.275 . . 1 . . 788 . A 37 THR CG2 . 36071 1
345 . 1 1 37 37 THR N N 15 115.059 0.068 . 1 . . 1058 . A 37 THR N . 36071 1
346 . 1 1 38 38 LYS H H 1 7.917 0.019 . 1 . . 1103 . A 38 LYS H . 36071 1
347 . 1 1 38 38 LYS HA H 1 4.423 0.01 . 1 . . 672 . A 38 LYS HA . 36071 1
348 . 1 1 38 38 LYS HB2 H 1 1.765 0.027 . 1 . . 620 . A 38 LYS HB2 . 36071 1
349 . 1 1 38 38 LYS HG2 H 1 1.271 0.022 . 1 . . 977 . A 38 LYS HG2 . 36071 1
350 . 1 1 38 38 LYS HE2 H 1 3.095 0.011 . 2 . . 621 . A 38 LYS HE2 . 36071 1
351 . 1 1 38 38 LYS HE3 H 1 2.551 0.015 . 2 . . 673 . A 38 LYS HE3 . 36071 1
352 . 1 1 38 38 LYS C C 13 178.497 . . 1 . . 416 . A 38 LYS C . 36071 1
353 . 1 1 38 38 LYS CA C 13 58.575 0.075 . 1 . . 410 . A 38 LYS CA . 36071 1
354 . 1 1 38 38 LYS CB C 13 32.340 0.084 . 1 . . 396 . A 38 LYS CB . 36071 1
355 . 1 1 38 38 LYS N N 15 119.941 0.106 . 1 . . 1102 . A 38 LYS N . 36071 1
356 . 1 1 39 39 PHE H H 1 7.741 0.021 . 1 . . 1095 . A 39 PHE H . 36071 1
357 . 1 1 39 39 PHE HA H 1 3.691 0.026 . 1 . . 566 . A 39 PHE HA . 36071 1
358 . 1 1 39 39 PHE HB2 H 1 3.106 0.02 . 1 . . 845 . A 39 PHE HB2 . 36071 1
359 . 1 1 39 39 PHE HD1 H 1 7.346 0.02 . 3 . . 843 . A 39 PHE HD1 . 36071 1
360 . 1 1 39 39 PHE HD2 H 1 7.346 0.02 . 3 . . 843 . A 39 PHE HD2 . 36071 1
361 . 1 1 39 39 PHE C C 13 177.839 . . 1 . . 467 . A 39 PHE C . 36071 1
362 . 1 1 39 39 PHE CA C 13 59.978 0.074 . 1 . . 21 . A 39 PHE CA . 36071 1
363 . 1 1 39 39 PHE CB C 13 38.755 0.022 . 1 . . 406 . A 39 PHE CB . 36071 1
364 . 1 1 39 39 PHE N N 15 122.475 0.137 . 1 . . 1094 . A 39 PHE N . 36071 1
365 . 1 1 40 40 LEU H H 1 8.521 0.015 . 1 . . 1079 . A 40 LEU H . 36071 1
366 . 1 1 40 40 LEU HA H 1 3.946 0.016 . 1 . . 542 . A 40 LEU HA . 36071 1
367 . 1 1 40 40 LEU HB2 H 1 1.993 0.026 . 1 . . 825 . A 40 LEU HB2 . 36071 1
368 . 1 1 40 40 LEU HG H 1 1.338 0.012 . 1 . . 824 . A 40 LEU HG . 36071 1
369 . 1 1 40 40 LEU HD11 H 1 0.800 0.014 . 2 . . 592 . A 40 LEU HD11 . 36071 1
370 . 1 1 40 40 LEU HD12 H 1 0.800 0.014 . 2 . . 592 . A 40 LEU HD12 . 36071 1
371 . 1 1 40 40 LEU HD13 H 1 0.800 0.014 . 2 . . 592 . A 40 LEU HD13 . 36071 1
372 . 1 1 40 40 LEU HD21 H 1 0.626 0.009 . 2 . . 820 . A 40 LEU HD21 . 36071 1
373 . 1 1 40 40 LEU HD22 H 1 0.626 0.009 . 2 . . 820 . A 40 LEU HD22 . 36071 1
374 . 1 1 40 40 LEU HD23 H 1 0.626 0.009 . 2 . . 820 . A 40 LEU HD23 . 36071 1
375 . 1 1 40 40 LEU C C 13 178.893 . . 1 . . 468 . A 40 LEU C . 36071 1
376 . 1 1 40 40 LEU CA C 13 56.276 0.023 . 1 . . 294 . A 40 LEU CA . 36071 1
377 . 1 1 40 40 LEU CB C 13 41.584 0.042 . 1 . . 377 . A 40 LEU CB . 36071 1
378 . 1 1 40 40 LEU CD2 C 13 24.928 0.061 . 1 . . 1196 . A 40 LEU CD2 . 36071 1
379 . 1 1 40 40 LEU N N 15 117.113 0.088 . 1 . . 1078 . A 40 LEU N . 36071 1
380 . 1 1 41 41 GLU H H 1 7.343 0.017 . 1 . . 1039 . A 41 GLU H . 36071 1
381 . 1 1 41 41 GLU HA H 1 3.857 0.024 . 1 . . 557 . A 41 GLU HA . 36071 1
382 . 1 1 41 41 GLU HB2 H 1 2.108 . . 1 . . 846 . A 41 GLU HB2 . 36071 1
383 . 1 1 41 41 GLU HG2 H 1 2.333 0.01 . 2 . . 674 . A 41 GLU HG2 . 36071 1
384 . 1 1 41 41 GLU HG3 H 1 2.540 0.03 . 2 . . 978 . A 41 GLU HG3 . 36071 1
385 . 1 1 41 41 GLU C C 13 178.626 . . 1 . . 469 . A 41 GLU C . 36071 1
386 . 1 1 41 41 GLU CA C 13 59.663 0.002 . 1 . . 401 . A 41 GLU CA . 36071 1
387 . 1 1 41 41 GLU CB C 13 29.666 0.092 . 1 . . 290 . A 41 GLU CB . 36071 1
388 . 1 1 41 41 GLU CG C 13 36.257 . . 1 . . 643 . A 41 GLU CG . 36071 1
389 . 1 1 41 41 GLU N N 15 117.324 0.086 . 1 . . 1038 . A 41 GLU N . 36071 1
390 . 1 1 42 42 GLU H H 1 7.807 0.009 . 1 . . 1101 . A 42 GLU H . 36071 1
391 . 1 1 42 42 GLU HA H 1 3.964 0.01 . 1 . . 565 . A 42 GLU HA . 36071 1
392 . 1 1 42 42 GLU HB2 H 1 2.034 0.025 . 2 . . 849 . A 42 GLU HB2 . 36071 1
393 . 1 1 42 42 GLU HB3 H 1 1.620 0.023 . 2 . . 850 . A 42 GLU HB3 . 36071 1
394 . 1 1 42 42 GLU HG2 H 1 2.477 0.015 . 1 . . 848 . A 42 GLU HG2 . 36071 1
395 . 1 1 42 42 GLU C C 13 179.610 . . 1 . . 470 . A 42 GLU C . 36071 1
396 . 1 1 42 42 GLU CA C 13 59.431 0.004 . 1 . . 252 . A 42 GLU CA . 36071 1
397 . 1 1 42 42 GLU CB C 13 30.326 0.025 . 1 . . 402 . A 42 GLU CB . 36071 1
398 . 1 1 42 42 GLU CG C 13 36.867 . . 1 . . 787 . A 42 GLU CG . 36071 1
399 . 1 1 42 42 GLU N N 15 119.303 0.109 . 1 . . 1100 . A 42 GLU N . 36071 1
400 . 1 1 43 43 PHE H H 1 8.476 0.025 . 1 . . 1136 . A 43 PHE H . 36071 1
401 . 1 1 43 43 PHE HA H 1 4.929 0.019 . 1 . . 541 . A 43 PHE HA . 36071 1
402 . 1 1 43 43 PHE HB2 H 1 2.488 0.021 . 1 . . 852 . A 43 PHE HB2 . 36071 1
403 . 1 1 43 43 PHE HD1 H 1 6.853 0.026 . 3 . . 851 . A 43 PHE HD1 . 36071 1
404 . 1 1 43 43 PHE HD2 H 1 6.853 0.026 . 3 . . 851 . A 43 PHE HD2 . 36071 1
405 . 1 1 43 43 PHE HE1 H 1 6.850 0.02 . 3 . . 844 . A 43 PHE HE1 . 36071 1
406 . 1 1 43 43 PHE HE2 H 1 6.850 0.02 . 3 . . 844 . A 43 PHE HE2 . 36071 1
407 . 1 1 43 43 PHE HZ H 1 6.884 0.0 . 1 . . 933 . A 43 PHE HZ . 36071 1
408 . 1 1 43 43 PHE CA C 13 65.354 . . 1 . . 246 . A 43 PHE CA . 36071 1
409 . 1 1 43 43 PHE N N 15 121.453 0.146 . 1 . . 1135 . A 43 PHE N . 36071 1
410 . 1 1 44 44 PRO HA H 1 4.390 . . 1 . . 942 . A 44 PRO HA . 36071 1
411 . 1 1 44 44 PRO HG2 H 1 1.734 . . 1 . . 841 . A 44 PRO HG2 . 36071 1
412 . 1 1 44 44 PRO C C 13 178.363 0.043 . 1 . . 471 . A 44 PRO C . 36071 1
413 . 1 1 44 44 PRO CA C 13 64.199 . . 1 . . 259 . A 44 PRO CA . 36071 1
414 . 1 1 44 44 PRO CB C 13 31.597 . . 1 . . 515 . A 44 PRO CB . 36071 1
415 . 1 1 45 45 GLY H H 1 8.402 0.015 . 1 . . 1065 . A 45 GLY H . 36071 1
416 . 1 1 45 45 GLY HA2 H 1 4.029 . . 2 . . 853 . A 45 GLY HA2 . 36071 1
417 . 1 1 45 45 GLY HA3 H 1 3.780 0.008 . 2 . . 941 . A 45 GLY HA3 . 36071 1
418 . 1 1 45 45 GLY C C 13 176.152 . . 1 . . 472 . A 45 GLY C . 36071 1
419 . 1 1 45 45 GLY CA C 13 45.594 0.018 . 1 . . 260 . A 45 GLY CA . 36071 1
420 . 1 1 45 45 GLY N N 15 108.587 0.025 . 1 . . 1064 . A 45 GLY N . 36071 1
421 . 1 1 46 46 GLY H H 1 8.061 0.005 . 1 . . 1069 . A 46 GLY H . 36071 1
422 . 1 1 46 46 GLY HA2 H 1 3.950 0.021 . 2 . . 549 . A 46 GLY HA2 . 36071 1
423 . 1 1 46 46 GLY HA3 H 1 3.486 0.014 . 2 . . 854 . A 46 GLY HA3 . 36071 1
424 . 1 1 46 46 GLY C C 13 174.150 . . 1 . . 473 . A 46 GLY C . 36071 1
425 . 1 1 46 46 GLY CA C 13 46.856 0.019 . 1 . . 293 . A 46 GLY CA . 36071 1
426 . 1 1 46 46 GLY N N 15 107.575 0.11 . 1 . . 1068 . A 46 GLY N . 36071 1
427 . 1 1 47 47 GLU H H 1 9.087 0.013 . 1 . . 1006 . A 47 GLU H . 36071 1
428 . 1 1 47 47 GLU HA H 1 3.766 0.021 . 1 . . 577 . A 47 GLU HA . 36071 1
429 . 1 1 47 47 GLU HB2 H 1 1.998 0.019 . 1 . . 578 . A 47 GLU HB2 . 36071 1
430 . 1 1 47 47 GLU HG2 H 1 1.967 0.02 . 1 . . 1212 . A 47 GLU HG2 . 36071 1
431 . 1 1 47 47 GLU CA C 13 60.695 0.002 . 1 . . 18 . A 47 GLU CA . 36071 1
432 . 1 1 47 47 GLU N N 15 121.987 0.063 . 1 . . 1007 . A 47 GLU N . 36071 1
433 . 1 1 48 48 GLU H H 1 8.509 0.014 . 1 . . 943 . A 48 GLU H . 36071 1
434 . 1 1 48 48 GLU HA H 1 3.907 0.02 . 1 . . 813 . A 48 GLU HA . 36071 1
435 . 1 1 48 48 GLU HG2 H 1 2.300 0.022 . 1 . . 812 . A 48 GLU HG2 . 36071 1
436 . 1 1 48 48 GLU C C 13 178.056 . . 1 . . 519 . A 48 GLU C . 36071 1
437 . 1 1 48 48 GLU CA C 13 58.712 0.001 . 1 . . 518 . A 48 GLU CA . 36071 1
438 . 1 1 48 48 GLU CB C 13 29.165 . . 1 . . 302 . A 48 GLU CB . 36071 1
439 . 1 1 48 48 GLU CG C 13 36.298 . . 1 . . 645 . A 48 GLU CG . 36071 1
440 . 1 1 49 49 VAL H H 1 7.478 0.007 . 1 . . 1045 . A 49 VAL H . 36071 1
441 . 1 1 49 49 VAL HA H 1 3.748 0.03 . 1 . . 558 . A 49 VAL HA . 36071 1
442 . 1 1 49 49 VAL HB H 1 2.064 0.018 . 1 . . 855 . A 49 VAL HB . 36071 1
443 . 1 1 49 49 VAL HG11 H 1 0.151 0.002 . 2 . . 856 . A 49 VAL HG11 . 36071 1
444 . 1 1 49 49 VAL HG12 H 1 0.151 0.002 . 2 . . 856 . A 49 VAL HG12 . 36071 1
445 . 1 1 49 49 VAL HG13 H 1 0.151 0.002 . 2 . . 856 . A 49 VAL HG13 . 36071 1
446 . 1 1 49 49 VAL HG21 H 1 0.902 0.026 . 2 . . 816 . A 49 VAL HG21 . 36071 1
447 . 1 1 49 49 VAL HG22 H 1 0.902 0.026 . 2 . . 816 . A 49 VAL HG22 . 36071 1
448 . 1 1 49 49 VAL HG23 H 1 0.902 0.026 . 2 . . 816 . A 49 VAL HG23 . 36071 1
449 . 1 1 49 49 VAL C C 13 177.232 . . 1 . . 520 . A 49 VAL C . 36071 1
450 . 1 1 49 49 VAL CA C 13 64.610 0.012 . 1 . . 254 . A 49 VAL CA . 36071 1
451 . 1 1 49 49 VAL CB C 13 31.708 0.076 . 1 . . 303 . A 49 VAL CB . 36071 1
452 . 1 1 49 49 VAL CG2 C 13 24.857 0.061 . 1 . . 1199 . A 49 VAL CG2 . 36071 1
453 . 1 1 49 49 VAL N N 15 118.365 0.126 . 1 . . 1044 . A 49 VAL N . 36071 1
454 . 1 1 50 50 LEU H H 1 7.346 0.01 . 1 . . 1033 . A 50 LEU H . 36071 1
455 . 1 1 50 50 LEU HA H 1 3.897 0.011 . 1 . . 857 . A 50 LEU HA . 36071 1
456 . 1 1 50 50 LEU HB2 H 1 1.703 0.018 . 1 . . 858 . A 50 LEU HB2 . 36071 1
457 . 1 1 50 50 LEU HG H 1 1.220 0.014 . 1 . . 1215 . A 50 LEU HG . 36071 1
458 . 1 1 50 50 LEU HD11 H 1 1.021 0.019 . 2 . . 859 . A 50 LEU HD11 . 36071 1
459 . 1 1 50 50 LEU HD12 H 1 1.021 0.019 . 2 . . 859 . A 50 LEU HD12 . 36071 1
460 . 1 1 50 50 LEU HD13 H 1 1.021 0.019 . 2 . . 859 . A 50 LEU HD13 . 36071 1
461 . 1 1 50 50 LEU HD21 H 1 0.838 0.027 . 2 . . 822 . A 50 LEU HD21 . 36071 1
462 . 1 1 50 50 LEU HD22 H 1 0.838 0.027 . 2 . . 822 . A 50 LEU HD22 . 36071 1
463 . 1 1 50 50 LEU HD23 H 1 0.838 0.027 . 2 . . 822 . A 50 LEU HD23 . 36071 1
464 . 1 1 50 50 LEU C C 13 176.825 . . 1 . . 521 . A 50 LEU C . 36071 1
465 . 1 1 50 50 LEU CA C 13 55.611 0.005 . 1 . . 434 . A 50 LEU CA . 36071 1
466 . 1 1 50 50 LEU CD1 C 13 24.106 0.037 . 2 . . 1198 . A 50 LEU CD1 . 36071 1
467 . 1 1 50 50 LEU CD2 C 13 21.090 0.061 . 2 . . 1200 . A 50 LEU CD2 . 36071 1
468 . 1 1 50 50 LEU N N 15 119.413 0.081 . 1 . . 1032 . A 50 LEU N . 36071 1
469 . 1 1 51 51 ARG H H 1 7.624 0.007 . 1 . . 1047 . A 51 ARG H . 36071 1
470 . 1 1 51 51 ARG HA H 1 3.901 0.015 . 1 . . 860 . A 51 ARG HA . 36071 1
471 . 1 1 51 51 ARG HB2 H 1 1.711 0.016 . 1 . . 861 . A 51 ARG HB2 . 36071 1
472 . 1 1 51 51 ARG C C 13 176.435 . . 1 . . 658 . A 51 ARG C . 36071 1
473 . 1 1 51 51 ARG CA C 13 57.586 . . 1 . . 435 . A 51 ARG CA . 36071 1
474 . 1 1 51 51 ARG CB C 13 30.888 0.011 . 1 . . 278 . A 51 ARG CB . 36071 1
475 . 1 1 51 51 ARG CG C 13 27.404 . . 1 . . 786 . A 51 ARG CG . 36071 1
476 . 1 1 51 51 ARG CD C 13 43.174 . . 1 . . 659 . A 51 ARG CD . 36071 1
477 . 1 1 51 51 ARG N N 15 117.951 0.033 . 1 . . 1046 . A 51 ARG N . 36071 1
478 . 1 1 52 52 GLU H H 1 8.501 0.006 . 1 . . 656 . A 52 GLU H . 36071 1
479 . 1 1 52 52 GLU HA H 1 5.229 . . 1 . . 979 . A 52 GLU HA . 36071 1
480 . 1 1 52 52 GLU HB2 H 1 2.150 . . 1 . . 945 . A 52 GLU HB2 . 36071 1
481 . 1 1 52 52 GLU HG2 H 1 2.280 0.005 . 1 . . 811 . A 52 GLU HG2 . 36071 1
482 . 1 1 52 52 GLU C C 13 176.401 . . 1 . . 475 . A 52 GLU C . 36071 1
483 . 1 1 52 52 GLU CA C 13 56.418 0.17 . 1 . . 474 . A 52 GLU CA . 36071 1
484 . 1 1 52 52 GLU CB C 13 30.413 0.001 . 1 . . 414 . A 52 GLU CB . 36071 1
485 . 1 1 52 52 GLU CG C 13 36.183 . . 1 . . 646 . A 52 GLU CG . 36071 1
486 . 1 1 52 52 GLU N N 15 122.275 0.061 . 1 . . 657 . A 52 GLU N . 36071 1
487 . 1 1 53 53 GLN H H 1 8.717 0.005 . 1 . . 1093 . A 53 GLN H . 36071 1
488 . 1 1 53 53 GLN CA C 13 55.936 0.082 . 1 . . 373 . A 53 GLN CA . 36071 1
489 . 1 1 53 53 GLN CB C 13 29.539 0.04 . 1 . . 305 . A 53 GLN CB . 36071 1
490 . 1 1 53 53 GLN CG C 13 33.759 . . 1 . . 647 . A 53 GLN CG . 36071 1
491 . 1 1 53 53 GLN N N 15 122.018 0.085 . 1 . . 1092 . A 53 GLN N . 36071 1
492 . 1 1 54 54 ALA H H 1 8.484 0.003 . 1 . . 359 . A 54 ALA H . 36071 1
493 . 1 1 54 54 ALA CA C 13 52.647 0.003 . 1 . . 385 . A 54 ALA CA . 36071 1
494 . 1 1 54 54 ALA CB C 13 19.345 0.041 . 1 . . 387 . A 54 ALA CB . 36071 1
495 . 1 1 54 54 ALA N N 15 125.884 0.002 . 1 . . 375 . A 54 ALA N . 36071 1
496 . 1 1 55 55 GLY H H 1 8.483 0.005 . 1 . . 350 . A 55 GLY H . 36071 1
497 . 1 1 55 55 GLY HA2 H 1 3.892 0.012 . 2 . . 810 . A 55 GLY HA2 . 36071 1
498 . 1 1 55 55 GLY HA3 H 1 4.947 0.006 . 2 . . 946 . A 55 GLY HA3 . 36071 1
499 . 1 1 55 55 GLY C C 13 174.667 . . 1 . . 477 . A 55 GLY C . 36071 1
500 . 1 1 55 55 GLY CA C 13 45.371 0.073 . 1 . . 476 . A 55 GLY CA . 36071 1
501 . 1 1 55 55 GLY N N 15 108.652 0.056 . 1 . . 351 . A 55 GLY N . 36071 1
502 . 1 1 56 56 GLY H H 1 8.194 0.008 . 1 . . 1067 . A 56 GLY H . 36071 1
503 . 1 1 56 56 GLY HA2 H 1 4.031 . . 1 . . 1216 . A 56 GLY HA2 . 36071 1
504 . 1 1 56 56 GLY C C 13 173.771 . . 1 . . 478 . A 56 GLY C . 36071 1
505 . 1 1 56 56 GLY CA C 13 44.678 0.072 . 1 . . 394 . A 56 GLY CA . 36071 1
506 . 1 1 56 56 GLY N N 15 108.642 0.101 . 1 . . 1066 . A 56 GLY N . 36071 1
507 . 1 1 57 57 ASP H H 1 8.360 0.006 . 1 . . 1111 . A 57 ASP H . 36071 1
508 . 1 1 57 57 ASP C C 13 176.153 0.006 . 1 . . 479 . A 57 ASP C . 36071 1
509 . 1 1 57 57 ASP CA C 13 54.294 0.066 . 1 . . 412 . A 57 ASP CA . 36071 1
510 . 1 1 57 57 ASP CB C 13 41.338 0.053 . 1 . . 360 . A 57 ASP CB . 36071 1
511 . 1 1 57 57 ASP N N 15 120.421 0.065 . 1 . . 1110 . A 57 ASP N . 36071 1
512 . 1 1 58 58 ALA H H 1 8.350 0.003 . 1 . . 5 . A 58 ALA H . 36071 1
513 . 1 1 58 58 ALA HA H 1 4.275 0.008 . 1 . . 535 . A 58 ALA HA . 36071 1
514 . 1 1 58 58 ALA HB1 H 1 1.353 0.021 . 1 . . 809 . A 58 ALA HB1 . 36071 1
515 . 1 1 58 58 ALA HB2 H 1 1.353 0.021 . 1 . . 809 . A 58 ALA HB2 . 36071 1
516 . 1 1 58 58 ALA HB3 H 1 1.353 0.021 . 1 . . 809 . A 58 ALA HB3 . 36071 1
517 . 1 1 58 58 ALA C C 13 177.980 0.003 . 1 . . 480 . A 58 ALA C . 36071 1
518 . 1 1 58 58 ALA CA C 13 52.861 0.029 . 1 . . 274 . A 58 ALA CA . 36071 1
519 . 1 1 58 58 ALA CB C 13 19.195 0.042 . 1 . . 384 . A 58 ALA CB . 36071 1
520 . 1 1 58 58 ALA N N 15 124.344 0.018 . 1 . . 6 . A 58 ALA N . 36071 1
521 . 1 1 59 59 THR H H 1 8.179 0.009 . 1 . . 1057 . A 59 THR H . 36071 1
522 . 1 1 59 59 THR HA H 1 4.177 0.017 . 1 . . 548 . A 59 THR HA . 36071 1
523 . 1 1 59 59 THR HB H 1 4.951 0.011 . 1 . . 862 . A 59 THR HB . 36071 1
524 . 1 1 59 59 THR HG21 H 1 1.210 0.008 . 1 . . 863 . A 59 THR HG21 . 36071 1
525 . 1 1 59 59 THR HG22 H 1 1.210 0.008 . 1 . . 863 . A 59 THR HG22 . 36071 1
526 . 1 1 59 59 THR HG23 H 1 1.210 0.008 . 1 . . 863 . A 59 THR HG23 . 36071 1
527 . 1 1 59 59 THR C C 13 174.684 . . 1 . . 481 . A 59 THR C . 36071 1
528 . 1 1 59 59 THR CA C 13 62.248 0.06 . 1 . . 372 . A 59 THR CA . 36071 1
529 . 1 1 59 59 THR CB C 13 69.616 0.009 . 1 . . 371 . A 59 THR CB . 36071 1
530 . 1 1 59 59 THR CG2 C 13 21.662 . . 1 . . 648 . A 59 THR CG2 . 36071 1
531 . 1 1 59 59 THR N N 15 112.942 0.091 . 1 . . 1056 . A 59 THR N . 36071 1
532 . 1 1 60 60 GLU H H 1 8.328 0.016 . 1 . . 1132 . A 60 GLU H . 36071 1
533 . 1 1 60 60 GLU HA H 1 4.130 0.024 . 1 . . 538 . A 60 GLU HA . 36071 1
534 . 1 1 60 60 GLU HB2 H 1 2.157 0.001 . 1 . . 808 . A 60 GLU HB2 . 36071 1
535 . 1 1 60 60 GLU HG2 H 1 2.729 . . 1 . . 864 . A 60 GLU HG2 . 36071 1
536 . 1 1 60 60 GLU C C 13 175.825 . . 1 . . 482 . A 60 GLU C . 36071 1
537 . 1 1 60 60 GLU CA C 13 56.700 0.024 . 1 . . 374 . A 60 GLU CA . 36071 1
538 . 1 1 60 60 GLU CB C 13 30.333 0.093 . 1 . . 398 . A 60 GLU CB . 36071 1
539 . 1 1 60 60 GLU CG C 13 36.255 . . 1 . . 649 . A 60 GLU CG . 36071 1
540 . 1 1 60 60 GLU N N 15 122.561 0.083 . 1 . . 1131 . A 60 GLU N . 36071 1
541 . 1 1 61 61 ASN H H 1 8.369 0.012 . 1 . . 1105 . A 61 ASN H . 36071 1
542 . 1 1 61 61 ASN HA H 1 4.959 0.02 . 1 . . 947 . A 61 ASN HA . 36071 1
543 . 1 1 61 61 ASN HB2 H 1 2.640 0.023 . 1 . . 865 . A 61 ASN HB2 . 36071 1
544 . 1 1 61 61 ASN HD21 H 1 7.663 0.019 . 1 . . 1220 . A 61 ASN HD21 . 36071 1
545 . 1 1 61 61 ASN HD22 H 1 6.845 0.016 . 1 . . 1218 . A 61 ASN HD22 . 36071 1
546 . 1 1 61 61 ASN CA C 13 53.208 . . 1 . . 291 . A 61 ASN CA . 36071 1
547 . 1 1 61 61 ASN CB C 13 39.058 . . 1 . . 276 . A 61 ASN CB . 36071 1
548 . 1 1 61 61 ASN N N 15 119.384 0.006 . 1 . . 1104 . A 61 ASN N . 36071 1
549 . 1 1 62 62 PHE H H 1 8.722 . . 1 . . 1217 . A 62 PHE H . 36071 1
550 . 1 1 62 62 PHE HA H 1 4.539 0.015 . 1 . . 807 . A 62 PHE HA . 36071 1
551 . 1 1 62 62 PHE HB2 H 1 2.633 0.016 . 1 . . 806 . A 62 PHE HB2 . 36071 1
552 . 1 1 62 62 PHE HD1 H 1 6.641 0.02 . 3 . . 1219 . A 62 PHE HD1 . 36071 1
553 . 1 1 62 62 PHE HD2 H 1 6.641 0.02 . 3 . . 1219 . A 62 PHE HD2 . 36071 1
554 . 1 1 62 62 PHE C C 13 176.276 . . 1 . . 483 . A 62 PHE C . 36071 1
555 . 1 1 62 62 PHE CA C 13 54.605 0.003 . 1 . . 767 . A 62 PHE CA . 36071 1
556 . 1 1 62 62 PHE CB C 13 40.836 0.063 . 1 . . 766 . A 62 PHE CB . 36071 1
557 . 1 1 63 63 GLU H H 1 8.146 0.007 . 1 . . 1120 . A 63 GLU H . 36071 1
558 . 1 1 63 63 GLU HA H 1 4.023 0.009 . 1 . . 568 . A 63 GLU HA . 36071 1
559 . 1 1 63 63 GLU HB2 H 1 2.001 0.023 . 1 . . 866 . A 63 GLU HB2 . 36071 1
560 . 1 1 63 63 GLU HG2 H 1 1.533 . . 1 . . 1221 . A 63 GLU HG2 . 36071 1
561 . 1 1 63 63 GLU C C 13 174.252 . . 1 . . 779 . A 63 GLU C . 36071 1
562 . 1 1 63 63 GLU CA C 13 55.444 0.703 . 1 . . 313 . A 63 GLU CA . 36071 1
563 . 1 1 63 63 GLU CB C 13 33.059 0.103 . 1 . . 423 . A 63 GLU CB . 36071 1
564 . 1 1 63 63 GLU N N 15 120.634 0.083 . 1 . . 1119 . A 63 GLU N . 36071 1
565 . 1 1 64 64 ASP H H 1 8.301 0.006 . 1 . . 1 . A 64 ASP H . 36071 1
566 . 1 1 64 64 ASP HA H 1 4.542 0.014 . 1 . . 572 . A 64 ASP HA . 36071 1
567 . 1 1 64 64 ASP HB2 H 1 2.627 0.019 . 1 . . 805 . A 64 ASP HB2 . 36071 1
568 . 1 1 64 64 ASP C C 13 176.441 . . 1 . . 485 . A 64 ASP C . 36071 1
569 . 1 1 64 64 ASP CA C 13 55.113 . . 1 . . 12 . A 64 ASP CA . 36071 1
570 . 1 1 64 64 ASP CB C 13 41.128 0.089 . 1 . . 296 . A 64 ASP CB . 36071 1
571 . 1 1 64 64 ASP N N 15 122.547 0.094 . 1 . . 2 . A 64 ASP N . 36071 1
572 . 1 1 65 65 VAL H H 1 8.055 0.014 . 1 . . 1099 . A 65 VAL H . 36071 1
573 . 1 1 65 65 VAL HA H 1 4.016 0.021 . 1 . . 571 . A 65 VAL HA . 36071 1
574 . 1 1 65 65 VAL HB H 1 2.045 0.023 . 1 . . 867 . A 65 VAL HB . 36071 1
575 . 1 1 65 65 VAL HG11 H 1 0.388 0.018 . 2 . . 948 . A 65 VAL HG11 . 36071 1
576 . 1 1 65 65 VAL HG12 H 1 0.388 0.018 . 2 . . 948 . A 65 VAL HG12 . 36071 1
577 . 1 1 65 65 VAL HG13 H 1 0.388 0.018 . 2 . . 948 . A 65 VAL HG13 . 36071 1
578 . 1 1 65 65 VAL HG21 H 1 0.854 0.025 . 2 . . 804 . A 65 VAL HG21 . 36071 1
579 . 1 1 65 65 VAL HG22 H 1 0.854 0.025 . 2 . . 804 . A 65 VAL HG22 . 36071 1
580 . 1 1 65 65 VAL HG23 H 1 0.854 0.025 . 2 . . 804 . A 65 VAL HG23 . 36071 1
581 . 1 1 65 65 VAL C C 13 176.736 . . 1 . . 486 . A 65 VAL C . 36071 1
582 . 1 1 65 65 VAL CA C 13 62.568 0.025 . 1 . . 484 . A 65 VAL CA . 36071 1
583 . 1 1 65 65 VAL CB C 13 32.529 0.038 . 1 . . 418 . A 65 VAL CB . 36071 1
584 . 1 1 65 65 VAL CG1 C 13 23.533 0.058 . 2 . . 1201 . A 65 VAL CG1 . 36071 1
585 . 1 1 65 65 VAL CG2 C 13 20.650 0.078 . 2 . . 633 . A 65 VAL CG2 . 36071 1
586 . 1 1 65 65 VAL N N 15 119.617 0.116 . 1 . . 1098 . A 65 VAL N . 36071 1
587 . 1 1 66 66 GLY H H 1 8.458 0.008 . 1 . . 1063 . A 66 GLY H . 36071 1
588 . 1 1 66 66 GLY HA2 H 1 3.758 0.013 . 2 . . 579 . A 66 GLY HA2 . 36071 1
589 . 1 1 66 66 GLY HA3 H 1 3.772 0.022 . 2 . . 803 . A 66 GLY HA3 . 36071 1
590 . 1 1 66 66 GLY C C 13 176.275 . . 1 . . 780 . A 66 GLY C . 36071 1
591 . 1 1 66 66 GLY CA C 13 45.297 0.07 . 1 . . 376 . A 66 GLY CA . 36071 1
592 . 1 1 66 66 GLY N N 15 111.212 0.133 . 1 . . 1062 . A 66 GLY N . 36071 1
593 . 1 1 67 67 PHE H H 1 8.042 0.044 . 1 . . 363 . A 67 PHE H . 36071 1
594 . 1 1 67 67 PHE HA H 1 4.530 0.014 . 1 . . 570 . A 67 PHE HA . 36071 1
595 . 1 1 67 67 PHE HB2 H 1 2.996 0.02 . 1 . . 869 . A 67 PHE HB2 . 36071 1
596 . 1 1 67 67 PHE HD1 H 1 7.139 0.008 . 3 . . 868 . A 67 PHE HD1 . 36071 1
597 . 1 1 67 67 PHE HD2 H 1 7.139 0.008 . 3 . . 868 . A 67 PHE HD2 . 36071 1
598 . 1 1 67 67 PHE HZ H 1 5.776 0.021 . 1 . . 980 . A 67 PHE HZ . 36071 1
599 . 1 1 67 67 PHE C C 13 173.891 . . 1 . . 487 . A 67 PHE C . 36071 1
600 . 1 1 67 67 PHE CA C 13 57.799 0.0 . 1 . . 364 . A 67 PHE CA . 36071 1
601 . 1 1 67 67 PHE CB C 13 39.838 . . 1 . . 279 . A 67 PHE CB . 36071 1
602 . 1 1 67 67 PHE N N 15 119.951 0.156 . 1 . . 1222 . A 67 PHE N . 36071 1
603 . 1 1 68 68 SER CA C 13 58.410 0.0 . 1 . . 769 . A 68 SER CA . 36071 1
604 . 1 1 68 68 SER CB C 13 63.855 0.05 . 1 . . 426 . A 68 SER CB . 36071 1
605 . 1 1 69 69 THR H H 1 8.296 0.013 . 1 . . 310 . A 69 THR H . 36071 1
606 . 1 1 69 69 THR HB H 1 3.876 0.0 . 1 . . 814 . A 69 THR HB . 36071 1
607 . 1 1 69 69 THR C C 13 175.177 . . 1 . . 488 . A 69 THR C . 36071 1
608 . 1 1 69 69 THR CA C 13 63.226 0.043 . 1 . . 382 . A 69 THR CA . 36071 1
609 . 1 1 69 69 THR CB C 13 69.619 0.092 . 1 . . 383 . A 69 THR CB . 36071 1
610 . 1 1 69 69 THR CG2 C 13 21.893 . . 1 . . 650 . A 69 THR CG2 . 36071 1
611 . 1 1 70 70 ASP H H 1 8.425 0.003 . 1 . . 1140 . A 70 ASP H . 36071 1
612 . 1 1 70 70 ASP HA H 1 4.503 0.026 . 1 . . 573 . A 70 ASP HA . 36071 1
613 . 1 1 70 70 ASP HB2 H 1 2.676 0.022 . 2 . . 802 . A 70 ASP HB2 . 36071 1
614 . 1 1 70 70 ASP HB3 H 1 2.546 0.02 . 2 . . 930 . A 70 ASP HB3 . 36071 1
615 . 1 1 70 70 ASP C C 13 177.295 . . 1 . . 489 . A 70 ASP C . 36071 1
616 . 1 1 70 70 ASP CA C 13 55.883 0.072 . 1 . . 245 . A 70 ASP CA . 36071 1
617 . 1 1 70 70 ASP CB C 13 40.650 0.046 . 1 . . 367 . A 70 ASP CB . 36071 1
618 . 1 1 70 70 ASP N N 15 122.006 0.013 . 1 . . 1139 . A 70 ASP N . 36071 1
619 . 1 1 71 71 ALA H H 1 8.257 0.011 . 1 . . 1085 . A 71 ALA H . 36071 1
620 . 1 1 71 71 ALA HA H 1 4.076 0.012 . 1 . . 536 . A 71 ALA HA . 36071 1
621 . 1 1 71 71 ALA HB1 H 1 1.234 0.022 . 1 . . 801 . A 71 ALA HB1 . 36071 1
622 . 1 1 71 71 ALA HB2 H 1 1.234 0.022 . 1 . . 801 . A 71 ALA HB2 . 36071 1
623 . 1 1 71 71 ALA HB3 H 1 1.234 0.022 . 1 . . 801 . A 71 ALA HB3 . 36071 1
624 . 1 1 71 71 ALA C C 13 178.938 . . 1 . . 490 . A 71 ALA C . 36071 1
625 . 1 1 71 71 ALA CA C 13 54.395 0.0 . 1 . . 244 . A 71 ALA CA . 36071 1
626 . 1 1 71 71 ALA CB C 13 18.958 0.082 . 1 . . 267 . A 71 ALA CB . 36071 1
627 . 1 1 71 71 ALA N N 15 123.852 0.083 . 1 . . 1084 . A 71 ALA N . 36071 1
628 . 1 1 72 72 ARG H H 1 8.126 0.012 . 1 . . 1083 . A 72 ARG H . 36071 1
629 . 1 1 72 72 ARG HA H 1 3.725 0.017 . 1 . . 547 . A 72 ARG HA . 36071 1
630 . 1 1 72 72 ARG HB2 H 1 1.797 0.01 . 1 . . 872 . A 72 ARG HB2 . 36071 1
631 . 1 1 72 72 ARG HG2 H 1 1.230 0.021 . 1 . . 873 . A 72 ARG HG2 . 36071 1
632 . 1 1 72 72 ARG HD2 H 1 3.097 0.019 . 1 . . 871 . A 72 ARG HD2 . 36071 1
633 . 1 1 72 72 ARG C C 13 177.893 . . 1 . . 491 . A 72 ARG C . 36071 1
634 . 1 1 72 72 ARG CA C 13 58.756 0.063 . 1 . . 516 . A 72 ARG CA . 36071 1
635 . 1 1 72 72 ARG CB C 13 29.788 0.002 . 1 . . 283 . A 72 ARG CB . 36071 1
636 . 1 1 72 72 ARG N N 15 118.248 0.079 . 1 . . 1082 . A 72 ARG N . 36071 1
637 . 1 1 73 73 GLU H H 1 7.078 0.015 . 1 . . 1029 . A 73 GLU H . 36071 1
638 . 1 1 73 73 GLU HA H 1 3.985 0.01 . 1 . . 559 . A 73 GLU HA . 36071 1
639 . 1 1 73 73 GLU HB2 H 1 1.801 0.011 . 1 . . 875 . A 73 GLU HB2 . 36071 1
640 . 1 1 73 73 GLU HG2 H 1 2.092 . . 2 . . 874 . A 73 GLU HG2 . 36071 1
641 . 1 1 73 73 GLU HG3 H 1 2.535 0.009 . 2 . . 876 . A 73 GLU HG3 . 36071 1
642 . 1 1 73 73 GLU C C 13 175.769 . . 1 . . 492 . A 73 GLU C . 36071 1
643 . 1 1 73 73 GLU CA C 13 57.367 0.075 . 1 . . 284 . A 73 GLU CA . 36071 1
644 . 1 1 73 73 GLU CB C 13 30.387 0.028 . 1 . . 424 . A 73 GLU CB . 36071 1
645 . 1 1 73 73 GLU CG C 13 36.488 . . 1 . . 785 . A 73 GLU CG . 36071 1
646 . 1 1 73 73 GLU N N 15 117.731 0.104 . 1 . . 1028 . A 73 GLU N . 36071 1
647 . 1 1 74 74 LEU H H 1 8.278 0.018 . 1 . . 1107 . A 74 LEU H . 36071 1
648 . 1 1 74 74 LEU HA H 1 4.647 0.016 . 1 . . 563 . A 74 LEU HA . 36071 1
649 . 1 1 74 74 LEU HB2 H 1 1.890 0.016 . 1 . . 878 . A 74 LEU HB2 . 36071 1
650 . 1 1 74 74 LEU HD21 H 1 0.810 0.027 . 1 . . 877 . A 74 LEU HD21 . 36071 1
651 . 1 1 74 74 LEU HD22 H 1 0.810 0.027 . 1 . . 877 . A 74 LEU HD22 . 36071 1
652 . 1 1 74 74 LEU HD23 H 1 0.810 0.027 . 1 . . 877 . A 74 LEU HD23 . 36071 1
653 . 1 1 74 74 LEU CA C 13 54.944 . . 1 . . 249 . A 74 LEU CA . 36071 1
654 . 1 1 74 74 LEU CB C 13 39.302 . . 1 . . 415 . A 74 LEU CB . 36071 1
655 . 1 1 74 74 LEU N N 15 119.832 0.083 . 1 . . 1106 . A 74 LEU N . 36071 1
656 . 1 1 75 75 SER C C 13 175.850 . . 1 . . 493 . A 75 SER C . 36071 1
657 . 1 1 75 75 SER CA C 13 61.097 . . 1 . . 652 . A 75 SER CA . 36071 1
658 . 1 1 76 76 LYS H H 1 7.480 0.013 . 1 . . 1035 . A 76 LYS H . 36071 1
659 . 1 1 76 76 LYS HA H 1 4.908 0.019 . 1 . . 949 . A 76 LYS HA . 36071 1
660 . 1 1 76 76 LYS HE2 H 1 3.222 0.007 . 1 . . 983 . A 76 LYS HE2 . 36071 1
661 . 1 1 76 76 LYS HZ1 H 1 6.860 0.027 . 1 . . 981 . A 76 LYS HZ1 . 36071 1
662 . 1 1 76 76 LYS HZ2 H 1 6.860 0.027 . 1 . . 981 . A 76 LYS HZ2 . 36071 1
663 . 1 1 76 76 LYS HZ3 H 1 6.860 0.027 . 1 . . 981 . A 76 LYS HZ3 . 36071 1
664 . 1 1 76 76 LYS C C 13 178.589 . . 1 . . 494 . A 76 LYS C . 36071 1
665 . 1 1 76 76 LYS CA C 13 58.684 0.08 . 1 . . 651 . A 76 LYS CA . 36071 1
666 . 1 1 76 76 LYS CB C 13 32.218 0.013 . 1 . . 653 . A 76 LYS CB . 36071 1
667 . 1 1 76 76 LYS N N 15 120.727 0.019 . 1 . . 1034 . A 76 LYS N . 36071 1
668 . 1 1 77 77 LYS H H 1 7.745 0.007 . 1 . . 1049 . A 77 LYS H . 36071 1
669 . 1 1 77 77 LYS HA H 1 3.968 0.005 . 1 . . 554 . A 77 LYS HA . 36071 1
670 . 1 1 77 77 LYS HG2 H 1 1.096 0.021 . 1 . . 880 . A 77 LYS HG2 . 36071 1
671 . 1 1 77 77 LYS HD2 H 1 1.566 0.006 . 1 . . 879 . A 77 LYS HD2 . 36071 1
672 . 1 1 77 77 LYS HE2 H 1 2.819 . . 1 . . 950 . A 77 LYS HE2 . 36071 1
673 . 1 1 77 77 LYS C C 13 176.798 . . 1 . . 495 . A 77 LYS C . 36071 1
674 . 1 1 77 77 LYS CA C 13 57.934 0.046 . 1 . . 399 . A 77 LYS CA . 36071 1
675 . 1 1 77 77 LYS CB C 13 31.896 0.067 . 1 . . 309 . A 77 LYS CB . 36071 1
676 . 1 1 77 77 LYS N N 15 118.036 0.061 . 1 . . 1048 . A 77 LYS N . 36071 1
677 . 1 1 78 78 TYR H H 1 7.744 0.012 . 1 . . 1043 . A 78 TYR H . 36071 1
678 . 1 1 78 78 TYR HA H 1 4.493 0.017 . 1 . . 553 . A 78 TYR HA . 36071 1
679 . 1 1 78 78 TYR HB2 H 1 2.056 0.017 . 2 . . 800 . A 78 TYR HB2 . 36071 1
680 . 1 1 78 78 TYR HB3 H 1 2.680 0.013 . 2 . . 881 . A 78 TYR HB3 . 36071 1
681 . 1 1 78 78 TYR HD1 H 1 7.215 0.009 . 3 . . 882 . A 78 TYR HD1 . 36071 1
682 . 1 1 78 78 TYR HD2 H 1 7.215 0.009 . 3 . . 882 . A 78 TYR HD2 . 36071 1
683 . 1 1 78 78 TYR HE1 H 1 6.865 0.022 . 3 . . 4 . A 78 TYR HE1 . 36071 1
684 . 1 1 78 78 TYR HE2 H 1 6.865 0.022 . 3 . . 4 . A 78 TYR HE2 . 36071 1
685 . 1 1 78 78 TYR C C 13 174.195 . . 1 . . 497 . A 78 TYR C . 36071 1
686 . 1 1 78 78 TYR CA C 13 58.219 0.069 . 1 . . 247 . A 78 TYR CA . 36071 1
687 . 1 1 78 78 TYR CB C 13 37.923 0.049 . 1 . . 300 . A 78 TYR CB . 36071 1
688 . 1 1 78 78 TYR N N 15 116.264 0.103 . 1 . . 1042 . A 78 TYR N . 36071 1
689 . 1 1 79 79 ILE H H 1 6.928 0.014 . 1 . . 1027 . A 79 ILE H . 36071 1
690 . 1 1 79 79 ILE HA H 1 3.777 0.022 . 1 . . 560 . A 79 ILE HA . 36071 1
691 . 1 1 79 79 ILE HB H 1 2.150 0.014 . 1 . . 984 . A 79 ILE HB . 36071 1
692 . 1 1 79 79 ILE HG12 H 1 1.440 0.008 . 1 . . 883 . A 79 ILE HG12 . 36071 1
693 . 1 1 79 79 ILE HG21 H 1 0.186 0.022 . 1 . . 952 . A 79 ILE HG21 . 36071 1
694 . 1 1 79 79 ILE HG22 H 1 0.186 0.022 . 1 . . 952 . A 79 ILE HG22 . 36071 1
695 . 1 1 79 79 ILE HG23 H 1 0.186 0.022 . 1 . . 952 . A 79 ILE HG23 . 36071 1
696 . 1 1 79 79 ILE HD11 H 1 0.697 0.027 . 1 . . 884 . A 79 ILE HD11 . 36071 1
697 . 1 1 79 79 ILE HD12 H 1 0.697 0.027 . 1 . . 884 . A 79 ILE HD12 . 36071 1
698 . 1 1 79 79 ILE HD13 H 1 0.697 0.027 . 1 . . 884 . A 79 ILE HD13 . 36071 1
699 . 1 1 79 79 ILE C C 13 177.734 . . 1 . . 498 . A 79 ILE C . 36071 1
700 . 1 1 79 79 ILE CA C 13 62.310 0.017 . 1 . . 261 . A 79 ILE CA . 36071 1
701 . 1 1 79 79 ILE CB C 13 38.547 . . 1 . . 496 . A 79 ILE CB . 36071 1
702 . 1 1 79 79 ILE N N 15 120.727 0.075 . 1 . . 1026 . A 79 ILE N . 36071 1
703 . 1 1 80 80 ILE H H 1 8.854 0.014 . 1 . . 1087 . A 80 ILE H . 36071 1
704 . 1 1 80 80 ILE HA H 1 4.418 0.021 . 1 . . 528 . A 80 ILE HA . 36071 1
705 . 1 1 80 80 ILE HB H 1 2.267 0.013 . 1 . . 797 . A 80 ILE HB . 36071 1
706 . 1 1 80 80 ILE HG21 H 1 -0.457 0.01 . 1 . . 951 . A 80 ILE HG21 . 36071 1
707 . 1 1 80 80 ILE HG22 H 1 -0.457 0.01 . 1 . . 951 . A 80 ILE HG22 . 36071 1
708 . 1 1 80 80 ILE HG23 H 1 -0.457 0.01 . 1 . . 951 . A 80 ILE HG23 . 36071 1
709 . 1 1 80 80 ILE HD11 H 1 -1.069 0.012 . 1 . . 909 . A 80 ILE HD11 . 36071 1
710 . 1 1 80 80 ILE HD12 H 1 -1.069 0.012 . 1 . . 909 . A 80 ILE HD12 . 36071 1
711 . 1 1 80 80 ILE HD13 H 1 -1.069 0.012 . 1 . . 909 . A 80 ILE HD13 . 36071 1
712 . 1 1 80 80 ILE C C 13 175.780 . . 1 . . 499 . A 80 ILE C . 36071 1
713 . 1 1 80 80 ILE CA C 13 60.813 0.004 . 1 . . 768 . A 80 ILE CA . 36071 1
714 . 1 1 80 80 ILE CG2 C 13 18.370 . . 1 . . 634 . A 80 ILE CG2 . 36071 1
715 . 1 1 80 80 ILE N N 15 122.807 0.093 . 1 . . 1086 . A 80 ILE N . 36071 1
716 . 1 1 81 81 GLY H H 1 7.445 0.012 . 1 . . 1051 . A 81 GLY H . 36071 1
717 . 1 1 81 81 GLY HA2 H 1 4.255 0.016 . 2 . . 552 . A 81 GLY HA2 . 36071 1
718 . 1 1 81 81 GLY HA3 H 1 4.029 0.019 . 2 . . 799 . A 81 GLY HA3 . 36071 1
719 . 1 1 81 81 GLY C C 13 170.980 . . 1 . . 500 . A 81 GLY C . 36071 1
720 . 1 1 81 81 GLY CA C 13 45.430 0.104 . 1 . . 417 . A 81 GLY CA . 36071 1
721 . 1 1 81 81 GLY N N 15 110.557 0.135 . 1 . . 1050 . A 81 GLY N . 36071 1
722 . 1 1 82 82 GLU H H 1 9.052 0.01 . 1 . . 1003 . A 82 GLU H . 36071 1
723 . 1 1 82 82 GLU HA H 1 5.273 0.024 . 1 . . 526 . A 82 GLU HA . 36071 1
724 . 1 1 82 82 GLU HB2 H 1 1.591 0.009 . 1 . . 886 . A 82 GLU HB2 . 36071 1
725 . 1 1 82 82 GLU HG2 H 1 2.168 0.014 . 1 . . 885 . A 82 GLU HG2 . 36071 1
726 . 1 1 82 82 GLU C C 13 175.492 . . 1 . . 502 . A 82 GLU C . 36071 1
727 . 1 1 82 82 GLU CA C 13 54.282 0.038 . 1 . . 365 . A 82 GLU CA . 36071 1
728 . 1 1 82 82 GLU CB C 13 34.692 0.075 . 1 . . 286 . A 82 GLU CB . 36071 1
729 . 1 1 82 82 GLU CG C 13 36.867 . . 1 . . 654 . A 82 GLU CG . 36071 1
730 . 1 1 82 82 GLU N N 15 117.858 0.056 . 1 . . 1002 . A 82 GLU N . 36071 1
731 . 1 1 83 83 LEU H H 1 8.848 0.014 . 1 . . 1089 . A 83 LEU H . 36071 1
732 . 1 1 83 83 LEU HA H 1 4.672 0.018 . 1 . . 953 . A 83 LEU HA . 36071 1
733 . 1 1 83 83 LEU HB2 H 1 1.620 0.026 . 2 . . 887 . A 83 LEU HB2 . 36071 1
734 . 1 1 83 83 LEU HB3 H 1 1.222 . . 2 . . 870 . A 83 LEU HB3 . 36071 1
735 . 1 1 83 83 LEU HD11 H 1 1.033 0.02 . 2 . . 818 . A 83 LEU HD11 . 36071 1
736 . 1 1 83 83 LEU HD12 H 1 1.033 0.02 . 2 . . 818 . A 83 LEU HD12 . 36071 1
737 . 1 1 83 83 LEU HD13 H 1 1.033 0.02 . 2 . . 818 . A 83 LEU HD13 . 36071 1
738 . 1 1 83 83 LEU HD21 H 1 0.757 0.026 . 2 . . 817 . A 83 LEU HD21 . 36071 1
739 . 1 1 83 83 LEU HD22 H 1 0.757 0.026 . 2 . . 817 . A 83 LEU HD22 . 36071 1
740 . 1 1 83 83 LEU HD23 H 1 0.757 0.026 . 2 . . 817 . A 83 LEU HD23 . 36071 1
741 . 1 1 83 83 LEU C C 13 177.017 . . 1 . . 503 . A 83 LEU C . 36071 1
742 . 1 1 83 83 LEU CA C 13 54.504 0.013 . 1 . . 501 . A 83 LEU CA . 36071 1
743 . 1 1 83 83 LEU CB C 13 43.275 0.041 . 1 . . 408 . A 83 LEU CB . 36071 1
744 . 1 1 83 83 LEU CG C 13 27.545 . . 1 . . 630 . A 83 LEU CG . 36071 1
745 . 1 1 83 83 LEU N N 15 122.789 0.076 . 1 . . 1088 . A 83 LEU N . 36071 1
746 . 1 1 84 84 HIS H H 1 9.172 0.013 . 1 . . 1019 . A 84 HIS H . 36071 1
747 . 1 1 84 84 HIS HA H 1 4.578 0.002 . 1 . . 574 . A 84 HIS HA . 36071 1
748 . 1 1 84 84 HIS HB2 H 1 2.766 0.002 . 2 . . 889 . A 84 HIS HB2 . 36071 1
749 . 1 1 84 84 HIS HB3 H 1 2.574 0.018 . 2 . . 890 . A 84 HIS HB3 . 36071 1
750 . 1 1 84 84 HIS HD2 H 1 6.850 0.019 . 1 . . 584 . A 84 HIS HD2 . 36071 1
751 . 1 1 84 84 HIS HE1 H 1 8.277 . . 1 . . 888 . A 84 HIS HE1 . 36071 1
752 . 1 1 84 84 HIS CA C 13 56.888 . . 1 . . 253 . A 84 HIS CA . 36071 1
753 . 1 1 84 84 HIS CB C 13 31.951 . . 1 . . 288 . A 84 HIS CB . 36071 1
754 . 1 1 84 84 HIS N N 15 131.329 0.096 . 1 . . 1018 . A 84 HIS N . 36071 1
755 . 1 1 85 85 PRO HB2 H 1 2.149 . . 1 . . 955 . A 85 PRO HB2 . 36071 1
756 . 1 1 85 85 PRO HG2 H 1 1.560 0.027 . 1 . . 959 . A 85 PRO HG2 . 36071 1
757 . 1 1 85 85 PRO HD2 H 1 3.634 0.019 . 2 . . 954 . A 85 PRO HD2 . 36071 1
758 . 1 1 85 85 PRO HD3 H 1 3.750 0.018 . 2 . . 837 . A 85 PRO HD3 . 36071 1
759 . 1 1 85 85 PRO C C 13 178.620 . . 1 . . 505 . A 85 PRO C . 36071 1
760 . 1 1 85 85 PRO CA C 13 65.987 0.036 . 1 . . 504 . A 85 PRO CA . 36071 1
761 . 1 1 85 85 PRO CB C 13 32.831 0.041 . 1 . . 280 . A 85 PRO CB . 36071 1
762 . 1 1 85 85 PRO CG C 13 27.420 . . 1 . . 626 . A 85 PRO CG . 36071 1
763 . 1 1 86 86 ASP H H 1 11.287 0.012 . 1 . . 995 . A 86 ASP H . 36071 1
764 . 1 1 86 86 ASP HA H 1 4.412 0.022 . 1 . . 523 . A 86 ASP HA . 36071 1
765 . 1 1 86 86 ASP HB2 H 1 2.664 0.009 . 1 . . 798 . A 86 ASP HB2 . 36071 1
766 . 1 1 86 86 ASP C C 13 177.408 . . 1 . . 506 . A 86 ASP C . 36071 1
767 . 1 1 86 86 ASP CA C 13 56.998 0.026 . 1 . . 11 . A 86 ASP CA . 36071 1
768 . 1 1 86 86 ASP CB C 13 39.803 0.05 . 1 . . 263 . A 86 ASP CB . 36071 1
769 . 1 1 86 86 ASP N N 15 121.281 0.08 . 1 . . 994 . A 86 ASP N . 36071 1
770 . 1 1 87 87 ASP H H 1 8.217 0.01 . 1 . . 1075 . A 87 ASP H . 36071 1
771 . 1 1 87 87 ASP HA H 1 4.922 0.017 . 1 . . 546 . A 87 ASP HA . 36071 1
772 . 1 1 87 87 ASP HB2 H 1 2.568 0.02 . 1 . . 892 . A 87 ASP HB2 . 36071 1
773 . 1 1 87 87 ASP C C 13 177.305 . . 1 . . 781 . A 87 ASP C . 36071 1
774 . 1 1 87 87 ASP CA C 13 54.601 0.079 . 1 . . 255 . A 87 ASP CA . 36071 1
775 . 1 1 87 87 ASP CB C 13 43.006 0.101 . 1 . . 268 . A 87 ASP CB . 36071 1
776 . 1 1 87 87 ASP N N 15 117.365 0.081 . 1 . . 1074 . A 87 ASP N . 36071 1
777 . 1 1 88 88 ARG H H 1 7.262 0.018 . 1 . . 1031 . A 88 ARG H . 36071 1
778 . 1 1 88 88 ARG HA H 1 3.960 0.016 . 1 . . 985 . A 88 ARG HA . 36071 1
779 . 1 1 88 88 ARG HB2 H 1 1.650 0.029 . 2 . . 795 . A 88 ARG HB2 . 36071 1
780 . 1 1 88 88 ARG HB3 H 1 1.948 0.022 . 2 . . 1206 . A 88 ARG HB3 . 36071 1
781 . 1 1 88 88 ARG HG2 H 1 0.954 0.016 . 2 . . 796 . A 88 ARG HG2 . 36071 1
782 . 1 1 88 88 ARG HG3 H 1 2.277 . . 2 . . 987 . A 88 ARG HG3 . 36071 1
783 . 1 1 88 88 ARG HD2 H 1 3.070 0.0 . 2 . . 794 . A 88 ARG HD2 . 36071 1
784 . 1 1 88 88 ARG HD3 H 1 2.653 . . 2 . . 988 . A 88 ARG HD3 . 36071 1
785 . 1 1 88 88 ARG HE H 1 6.848 0.022 . 1 . . 986 . A 88 ARG HE . 36071 1
786 . 1 1 88 88 ARG C C 13 175.866 . . 1 . . 507 . A 88 ARG C . 36071 1
787 . 1 1 88 88 ARG CA C 13 59.452 . . 1 . . 251 . A 88 ARG CA . 36071 1
788 . 1 1 88 88 ARG CB C 13 29.624 0.089 . 1 . . 285 . A 88 ARG CB . 36071 1
789 . 1 1 88 88 ARG N N 15 119.883 0.065 . 1 . . 1030 . A 88 ARG N . 36071 1
790 . 1 1 89 89 SER H H 1 8.444 0.01 . 1 . . 1077 . A 89 SER H . 36071 1
791 . 1 1 89 89 SER HA H 1 4.574 0.021 . 1 . . 956 . A 89 SER HA . 36071 1
792 . 1 1 89 89 SER HB2 H 1 3.921 0.021 . 1 . . 543 . A 89 SER HB2 . 36071 1
793 . 1 1 89 89 SER C C 13 175.200 . . 1 . . 508 . A 89 SER C . 36071 1
794 . 1 1 89 89 SER CA C 13 59.433 0.088 . 1 . . 297 . A 89 SER CA . 36071 1
795 . 1 1 89 89 SER CB C 13 63.209 0.423 . 1 . . 298 . A 89 SER CB . 36071 1
796 . 1 1 89 89 SER N N 15 117.419 0.104 . 1 . . 1076 . A 89 SER N . 36071 1
797 . 1 1 90 90 LYS H H 1 7.778 0.019 . 1 . . 1097 . A 90 LYS H . 36071 1
798 . 1 1 90 90 LYS HA H 1 4.930 0.021 . 1 . . 903 . A 90 LYS HA . 36071 1
799 . 1 1 90 90 LYS HD2 H 1 1.641 0.024 . 1 . . 793 . A 90 LYS HD2 . 36071 1
800 . 1 1 90 90 LYS HZ1 H 1 7.126 0.012 . 1 . . 931 . A 90 LYS HZ1 . 36071 1
801 . 1 1 90 90 LYS HZ2 H 1 7.126 0.012 . 1 . . 931 . A 90 LYS HZ2 . 36071 1
802 . 1 1 90 90 LYS HZ3 H 1 7.126 0.012 . 1 . . 931 . A 90 LYS HZ3 . 36071 1
803 . 1 1 90 90 LYS C C 13 176.835 . . 1 . . 509 . A 90 LYS C . 36071 1
804 . 1 1 90 90 LYS CA C 13 57.125 0.005 . 1 . . 295 . A 90 LYS CA . 36071 1
805 . 1 1 90 90 LYS CB C 13 33.170 0.027 . 1 . . 301 . A 90 LYS CB . 36071 1
806 . 1 1 90 90 LYS CG C 13 25.747 . . 1 . . 782 . A 90 LYS CG . 36071 1
807 . 1 1 90 90 LYS CD C 13 29.584 . . 1 . . 783 . A 90 LYS CD . 36071 1
808 . 1 1 90 90 LYS CE C 13 42.477 . . 1 . . 784 . A 90 LYS CE . 36071 1
809 . 1 1 90 90 LYS N N 15 121.268 0.142 . 1 . . 1096 . A 90 LYS N . 36071 1
810 . 1 1 91 91 ILE H H 1 7.495 0.013 . 1 . . 1041 . A 91 ILE H . 36071 1
811 . 1 1 91 91 ILE HA H 1 4.234 0.019 . 1 . . 556 . A 91 ILE HA . 36071 1
812 . 1 1 91 91 ILE HB H 1 1.899 0.02 . 1 . . 893 . A 91 ILE HB . 36071 1
813 . 1 1 91 91 ILE HG12 H 1 1.342 0.005 . 1 . . 894 . A 91 ILE HG12 . 36071 1
814 . 1 1 91 91 ILE HG21 H 1 0.904 0.02 . 1 . . 895 . A 91 ILE HG21 . 36071 1
815 . 1 1 91 91 ILE HG22 H 1 0.904 0.02 . 1 . . 895 . A 91 ILE HG22 . 36071 1
816 . 1 1 91 91 ILE HG23 H 1 0.904 0.02 . 1 . . 895 . A 91 ILE HG23 . 36071 1
817 . 1 1 91 91 ILE HD11 H 1 0.880 0.066 . 1 . . 989 . A 91 ILE HD11 . 36071 1
818 . 1 1 91 91 ILE HD12 H 1 0.880 0.066 . 1 . . 989 . A 91 ILE HD12 . 36071 1
819 . 1 1 91 91 ILE HD13 H 1 0.880 0.066 . 1 . . 989 . A 91 ILE HD13 . 36071 1
820 . 1 1 91 91 ILE C C 13 175.563 . . 1 . . 510 . A 91 ILE C . 36071 1
821 . 1 1 91 91 ILE CA C 13 60.351 0.026 . 1 . . 256 . A 91 ILE CA . 36071 1
822 . 1 1 91 91 ILE CB C 13 38.456 0.009 . 1 . . 282 . A 91 ILE CB . 36071 1
823 . 1 1 91 91 ILE CG1 C 13 26.946 . . 1 . . 625 . A 91 ILE CG1 . 36071 1
824 . 1 1 91 91 ILE CG2 C 13 17.861 . . 1 . . 624 . A 91 ILE CG2 . 36071 1
825 . 1 1 91 91 ILE CD1 C 13 13.370 0.001 . 1 . . 623 . A 91 ILE CD1 . 36071 1
826 . 1 1 91 91 ILE N N 15 117.200 0.132 . 1 . . 1040 . A 91 ILE N . 36071 1
827 . 1 1 92 92 ALA H H 1 8.120 0.008 . 1 . . 1023 . A 92 ALA H . 36071 1
828 . 1 1 92 92 ALA HA H 1 4.236 0.019 . 1 . . 533 . A 92 ALA HA . 36071 1
829 . 1 1 92 92 ALA HB1 H 1 1.368 0.033 . 1 . . 792 . A 92 ALA HB1 . 36071 1
830 . 1 1 92 92 ALA HB2 H 1 1.368 0.033 . 1 . . 792 . A 92 ALA HB2 . 36071 1
831 . 1 1 92 92 ALA HB3 H 1 1.368 0.033 . 1 . . 792 . A 92 ALA HB3 . 36071 1
832 . 1 1 92 92 ALA C C 13 177.327 . . 1 . . 511 . A 92 ALA C . 36071 1
833 . 1 1 92 92 ALA CA C 13 52.431 0.017 . 1 . . 14 . A 92 ALA CA . 36071 1
834 . 1 1 92 92 ALA CB C 13 19.410 0.007 . 1 . . 395 . A 92 ALA CB . 36071 1
835 . 1 1 92 92 ALA N N 15 127.800 0.101 . 1 . . 1022 . A 92 ALA N . 36071 1
836 . 1 1 93 93 LYS H H 1 8.410 0.005 . 1 . . 1134 . A 93 LYS H . 36071 1
837 . 1 1 93 93 LYS HA H 1 4.953 0.01 . 1 . . 957 . A 93 LYS HA . 36071 1
838 . 1 1 93 93 LYS HG2 H 1 1.344 0.005 . 1 . . 898 . A 93 LYS HG2 . 36071 1
839 . 1 1 93 93 LYS HD2 H 1 1.708 . . 1 . . 897 . A 93 LYS HD2 . 36071 1
840 . 1 1 93 93 LYS CA C 13 54.202 0.052 . 1 . . 378 . A 93 LYS CA . 36071 1
841 . 1 1 93 93 LYS CB C 13 32.658 . . 1 . . 273 . A 93 LYS CB . 36071 1
842 . 1 1 93 93 LYS N N 15 122.352 0.118 . 1 . . 1133 . A 93 LYS N . 36071 1
843 . 1 1 94 94 PRO HA H 1 4.415 . . 1 . . 791 . A 94 PRO HA . 36071 1
844 . 1 1 94 94 PRO HG2 H 1 1.997 0.002 . 1 . . 790 . A 94 PRO HG2 . 36071 1
845 . 1 1 94 94 PRO C C 13 176.985 . . 1 . . 771 . A 94 PRO C . 36071 1
846 . 1 1 94 94 PRO CA C 13 63.355 0.029 . 1 . . 389 . A 94 PRO CA . 36071 1
847 . 1 1 94 94 PRO CB C 13 32.141 0.099 . 1 . . 569 . A 94 PRO CB . 36071 1
848 . 1 1 94 94 PRO CG C 13 27.551 . . 1 . . 636 . A 94 PRO CG . 36071 1
849 . 1 1 94 94 PRO CD C 13 50.621 . . 1 . . 637 . A 94 PRO CD . 36071 1
850 . 1 1 95 95 SER H H 1 8.435 0.002 . 1 . . 1061 . A 95 SER H . 36071 1
851 . 1 1 95 95 SER HA H 1 4.952 0.009 . 1 . . 990 . A 95 SER HA . 36071 1
852 . 1 1 95 95 SER HB2 H 1 3.792 . . 1 . . 789 . A 95 SER HB2 . 36071 1
853 . 1 1 95 95 SER C C 13 174.615 . . 1 . . 513 . A 95 SER C . 36071 1
854 . 1 1 95 95 SER CA C 13 58.509 0.015 . 1 . . 655 . A 95 SER CA . 36071 1
855 . 1 1 95 95 SER CB C 13 63.837 0.053 . 1 . . 306 . A 95 SER CB . 36071 1
856 . 1 1 95 95 SER N N 15 115.806 0.091 . 1 . . 1060 . A 95 SER N . 36071 1
857 . 1 1 96 96 GLU H H 1 8.525 0.015 . 1 . . 1138 . A 96 GLU H . 36071 1
858 . 1 1 96 96 GLU HA H 1 4.163 0.02 . 1 . . 899 . A 96 GLU HA . 36071 1
859 . 1 1 96 96 GLU C C 13 176.312 . . 1 . . 514 . A 96 GLU C . 36071 1
860 . 1 1 96 96 GLU CA C 13 56.533 0.113 . 1 . . 512 . A 96 GLU CA . 36071 1
861 . 1 1 96 96 GLU CB C 13 30.533 0.0 . 1 . . 522 . A 96 GLU CB . 36071 1
862 . 1 1 96 96 GLU CG C 13 36.420 . . 1 . . 638 . A 96 GLU CG . 36071 1
863 . 1 1 96 96 GLU N N 15 122.758 0.18 . 1 . . 1137 . A 96 GLU N . 36071 1
864 . 1 1 97 97 THR H H 1 8.271 0.009 . 1 . . 1071 . A 97 THR H . 36071 1
865 . 1 1 97 97 THR HA H 1 4.247 0.024 . 1 . . 545 . A 97 THR HA . 36071 1
866 . 1 1 97 97 THR HG21 H 1 1.174 0.017 . 1 . . 660 . A 97 THR HG21 . 36071 1
867 . 1 1 97 97 THR HG22 H 1 1.174 0.017 . 1 . . 660 . A 97 THR HG22 . 36071 1
868 . 1 1 97 97 THR HG23 H 1 1.174 0.017 . 1 . . 660 . A 97 THR HG23 . 36071 1
869 . 1 1 97 97 THR C C 13 173.623 . . 1 . . 517 . A 97 THR C . 36071 1
870 . 1 1 97 97 THR CA C 13 61.828 0.02 . 1 . . 10 . A 97 THR CA . 36071 1
871 . 1 1 97 97 THR CB C 13 69.944 0.074 . 1 . . 289 . A 97 THR CB . 36071 1
872 . 1 1 97 97 THR CG2 C 13 21.519 . . 1 . . 622 . A 97 THR CG2 . 36071 1
873 . 1 1 97 97 THR N N 15 116.094 0.006 . 1 . . 1070 . A 97 THR N . 36071 1
874 . 1 1 98 98 LEU H H 1 8.055 0.008 . 1 . . 1025 . A 98 LEU H . 36071 1
875 . 1 1 98 98 LEU HA H 1 4.127 0.007 . 1 . . 532 . A 98 LEU HA . 36071 1
876 . 1 1 98 98 LEU HB2 H 1 1.520 . . 1 . . 900 . A 98 LEU HB2 . 36071 1
877 . 1 1 98 98 LEU HG H 1 1.158 . . 1 . . 901 . A 98 LEU HG . 36071 1
878 . 1 1 98 98 LEU HD21 H 1 0.828 . . 1 . . 902 . A 98 LEU HD21 . 36071 1
879 . 1 1 98 98 LEU HD22 H 1 0.828 . . 1 . . 902 . A 98 LEU HD22 . 36071 1
880 . 1 1 98 98 LEU HD23 H 1 0.828 . . 1 . . 902 . A 98 LEU HD23 . 36071 1
881 . 1 1 98 98 LEU CA C 13 56.814 0.041 . 1 . . 427 . A 98 LEU CA . 36071 1
882 . 1 1 98 98 LEU CB C 13 43.252 . . 1 . . 287 . A 98 LEU CB . 36071 1
883 . 1 1 98 98 LEU N N 15 131.045 0.159 . 1 . . 1024 . A 98 LEU N . 36071 1
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