data_30471
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 30471
_Entry.Title
;
Human Titin ZIg10
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2018-05-31
_Entry.Accession_date 2018-05-31
_Entry.Last_release_date 2018-07-24
_Entry.Original_release_date 2018-07-24
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.1.32
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.2.1.32
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_experimental_methods.ID
_Entry_experimental_methods.Method
_Entry_experimental_methods.Subtype
_Entry_experimental_methods.Entry_ID
1 'SOLUTION NMR' 'SOLUTION NMR' 30471
stop_
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 N. Wright N. T. . . 30471
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'STRUCTURAL PROTEIN' . 30471
Titin . 30471
cytoskeleton . 30471
sarcomere . 30471
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 30471
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 299 30471
'15N chemical shifts' 94 30471
'1H chemical shifts' 623 30471
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 . . 2019-08-16 . original BMRB . 30471
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 6DL4 . 30471
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 30471
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title
;
Solution structure and function of human titin ZIg10
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_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 .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 A. Letourneau A. G. . . 30471 1
2 N. Wright N. T. . . 30471 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 30471
_Assembly.ID 1
_Assembly.Name 'Titin (E.C.2.7.11.1)'
_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 . . . . . . 30471 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 30471
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Titin
_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
;
RMAHEGALTGVTTDQKEKQK
PDIVLYPEPVRVLEGETARF
RCRVTGYPQPKVNWYLNGQL
IRKSKRFRVRYDGIHYLDIV
DCKSYDTGEVKVTAENPEGV
IEHKVKLEIQQLEHHHHHH
;
_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 119
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state .
_Entity.Src_method man
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number 2.7.11.1
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 13965.898
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
Connectin na 30471 1
'Rhabdomyosarcoma antigen MU-RMS-40.14' na 30471 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . ARG . 30471 1
2 . MET . 30471 1
3 . ALA . 30471 1
4 . HIS . 30471 1
5 . GLU . 30471 1
6 . GLY . 30471 1
7 . ALA . 30471 1
8 . LEU . 30471 1
9 . THR . 30471 1
10 . GLY . 30471 1
11 . VAL . 30471 1
12 . THR . 30471 1
13 . THR . 30471 1
14 . ASP . 30471 1
15 . GLN . 30471 1
16 . LYS . 30471 1
17 . GLU . 30471 1
18 . LYS . 30471 1
19 . GLN . 30471 1
20 . LYS . 30471 1
21 . PRO . 30471 1
22 . ASP . 30471 1
23 . ILE . 30471 1
24 . VAL . 30471 1
25 . LEU . 30471 1
26 . TYR . 30471 1
27 . PRO . 30471 1
28 . GLU . 30471 1
29 . PRO . 30471 1
30 . VAL . 30471 1
31 . ARG . 30471 1
32 . VAL . 30471 1
33 . LEU . 30471 1
34 . GLU . 30471 1
35 . GLY . 30471 1
36 . GLU . 30471 1
37 . THR . 30471 1
38 . ALA . 30471 1
39 . ARG . 30471 1
40 . PHE . 30471 1
41 . ARG . 30471 1
42 . CYS . 30471 1
43 . ARG . 30471 1
44 . VAL . 30471 1
45 . THR . 30471 1
46 . GLY . 30471 1
47 . TYR . 30471 1
48 . PRO . 30471 1
49 . GLN . 30471 1
50 . PRO . 30471 1
51 . LYS . 30471 1
52 . VAL . 30471 1
53 . ASN . 30471 1
54 . TRP . 30471 1
55 . TYR . 30471 1
56 . LEU . 30471 1
57 . ASN . 30471 1
58 . GLY . 30471 1
59 . GLN . 30471 1
60 . LEU . 30471 1
61 . ILE . 30471 1
62 . ARG . 30471 1
63 . LYS . 30471 1
64 . SER . 30471 1
65 . LYS . 30471 1
66 . ARG . 30471 1
67 . PHE . 30471 1
68 . ARG . 30471 1
69 . VAL . 30471 1
70 . ARG . 30471 1
71 . TYR . 30471 1
72 . ASP . 30471 1
73 . GLY . 30471 1
74 . ILE . 30471 1
75 . HIS . 30471 1
76 . TYR . 30471 1
77 . LEU . 30471 1
78 . ASP . 30471 1
79 . ILE . 30471 1
80 . VAL . 30471 1
81 . ASP . 30471 1
82 . CYS . 30471 1
83 . LYS . 30471 1
84 . SER . 30471 1
85 . TYR . 30471 1
86 . ASP . 30471 1
87 . THR . 30471 1
88 . GLY . 30471 1
89 . GLU . 30471 1
90 . VAL . 30471 1
91 . LYS . 30471 1
92 . VAL . 30471 1
93 . THR . 30471 1
94 . ALA . 30471 1
95 . GLU . 30471 1
96 . ASN . 30471 1
97 . PRO . 30471 1
98 . GLU . 30471 1
99 . GLY . 30471 1
100 . VAL . 30471 1
101 . ILE . 30471 1
102 . GLU . 30471 1
103 . HIS . 30471 1
104 . LYS . 30471 1
105 . VAL . 30471 1
106 . LYS . 30471 1
107 . LEU . 30471 1
108 . GLU . 30471 1
109 . ILE . 30471 1
110 . GLN . 30471 1
111 . GLN . 30471 1
112 . LEU . 30471 1
113 . GLU . 30471 1
114 . HIS . 30471 1
115 . HIS . 30471 1
116 . HIS . 30471 1
117 . HIS . 30471 1
118 . HIS . 30471 1
119 . HIS . 30471 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
. ARG 1 1 30471 1
. MET 2 2 30471 1
. ALA 3 3 30471 1
. HIS 4 4 30471 1
. GLU 5 5 30471 1
. GLY 6 6 30471 1
. ALA 7 7 30471 1
. LEU 8 8 30471 1
. THR 9 9 30471 1
. GLY 10 10 30471 1
. VAL 11 11 30471 1
. THR 12 12 30471 1
. THR 13 13 30471 1
. ASP 14 14 30471 1
. GLN 15 15 30471 1
. LYS 16 16 30471 1
. GLU 17 17 30471 1
. LYS 18 18 30471 1
. GLN 19 19 30471 1
. LYS 20 20 30471 1
. PRO 21 21 30471 1
. ASP 22 22 30471 1
. ILE 23 23 30471 1
. VAL 24 24 30471 1
. LEU 25 25 30471 1
. TYR 26 26 30471 1
. PRO 27 27 30471 1
. GLU 28 28 30471 1
. PRO 29 29 30471 1
. VAL 30 30 30471 1
. ARG 31 31 30471 1
. VAL 32 32 30471 1
. LEU 33 33 30471 1
. GLU 34 34 30471 1
. GLY 35 35 30471 1
. GLU 36 36 30471 1
. THR 37 37 30471 1
. ALA 38 38 30471 1
. ARG 39 39 30471 1
. PHE 40 40 30471 1
. ARG 41 41 30471 1
. CYS 42 42 30471 1
. ARG 43 43 30471 1
. VAL 44 44 30471 1
. THR 45 45 30471 1
. GLY 46 46 30471 1
. TYR 47 47 30471 1
. PRO 48 48 30471 1
. GLN 49 49 30471 1
. PRO 50 50 30471 1
. LYS 51 51 30471 1
. VAL 52 52 30471 1
. ASN 53 53 30471 1
. TRP 54 54 30471 1
. TYR 55 55 30471 1
. LEU 56 56 30471 1
. ASN 57 57 30471 1
. GLY 58 58 30471 1
. GLN 59 59 30471 1
. LEU 60 60 30471 1
. ILE 61 61 30471 1
. ARG 62 62 30471 1
. LYS 63 63 30471 1
. SER 64 64 30471 1
. LYS 65 65 30471 1
. ARG 66 66 30471 1
. PHE 67 67 30471 1
. ARG 68 68 30471 1
. VAL 69 69 30471 1
. ARG 70 70 30471 1
. TYR 71 71 30471 1
. ASP 72 72 30471 1
. GLY 73 73 30471 1
. ILE 74 74 30471 1
. HIS 75 75 30471 1
. TYR 76 76 30471 1
. LEU 77 77 30471 1
. ASP 78 78 30471 1
. ILE 79 79 30471 1
. VAL 80 80 30471 1
. ASP 81 81 30471 1
. CYS 82 82 30471 1
. LYS 83 83 30471 1
. SER 84 84 30471 1
. TYR 85 85 30471 1
. ASP 86 86 30471 1
. THR 87 87 30471 1
. GLY 88 88 30471 1
. GLU 89 89 30471 1
. VAL 90 90 30471 1
. LYS 91 91 30471 1
. VAL 92 92 30471 1
. THR 93 93 30471 1
. ALA 94 94 30471 1
. GLU 95 95 30471 1
. ASN 96 96 30471 1
. PRO 97 97 30471 1
. GLU 98 98 30471 1
. GLY 99 99 30471 1
. VAL 100 100 30471 1
. ILE 101 101 30471 1
. GLU 102 102 30471 1
. HIS 103 103 30471 1
. LYS 104 104 30471 1
. VAL 105 105 30471 1
. LYS 106 106 30471 1
. LEU 107 107 30471 1
. GLU 108 108 30471 1
. ILE 109 109 30471 1
. GLN 110 110 30471 1
. GLN 111 111 30471 1
. LEU 112 112 30471 1
. GLU 113 113 30471 1
. HIS 114 114 30471 1
. HIS 115 115 30471 1
. HIS 116 116 30471 1
. HIS 117 117 30471 1
. HIS 118 118 30471 1
. HIS 119 119 30471 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 30471
_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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapienss . . . . . . . . . . . TTN . 30471 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 30471
_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' . . 562 Escherichia coli . . . . . . . . . . 30471 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 30471
_Sample.ID 1
_Sample.Name .
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '20 mM TRIS, 50 mM sodium chloride, 1 mM [U-99% 13C; U-99% 15N] Human Titin ZIg10, 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 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 30471 1
2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30471 1
3 'Human Titin ZIg10' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30471 1
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 30471
_Sample_condition_list.ID 1
_Sample_condition_list.Name .
_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 30471 1
pH 7.5 . pH 30471 1
pressure 1 . atm 30471 1
temperature 298 . K 30471 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 30471
_Software.ID 1
_Software.Type .
_Software.Name 'X-PLOR NIH'
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 30471 1
stop_
loop_
_Task.Software_module
_Task.Task
_Task.Entry_ID
_Task.Software_ID
. 'structure calculation' 30471 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 30471
_Software.ID 2
_Software.Type .
_Software.Name NMRPipe
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30471 2
stop_
loop_
_Task.Software_module
_Task.Task
_Task.Entry_ID
_Task.Software_ID
. processing 30471 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 30471
_Software.ID 3
_Software.Type .
_Software.Name SPARKY
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 30471 3
stop_
loop_
_Task.Software_module
_Task.Task
_Task.Entry_ID
_Task.Software_ID
. 'chemical shift assignment' 30471 3
. 'peak picking' 30471 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 30471
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name .
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_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 30471
_NMR_spectrometer_list.ID 1
_NMR_spectrometer_list.Name .
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 . 600 . . . 30471 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 30471
_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 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1
2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1
3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1
4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1
5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1
6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1
7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1
8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1
9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 1
10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30471 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 30471
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name .
_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 0.25144953 . . . . . 30471 1
H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30471 1
N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30471 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 30471
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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' . . . 30471 1
2 '3D CBCA(CO)NH' . . . 30471 1
3 '3D HNCACB' . . . 30471 1
4 '3D C(CO)NH' . . . 30471 1
5 '3D H(CCO)NH' . . . 30471 1
6 '3D HN(CA)CO' . . . 30471 1
7 '3D HNCO' . . . 30471 1
8 '3D 1H-15N TOCSY' . . . 30471 1
9 '3D 1H-15N NOESY' . . . 30471 1
10 '3D 1H-13C NOESY' . . . 30471 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ARG H H 1 8.83 0.02 . 1 . . . . A 1 ARG H1 . 30471 1
2 . 1 1 1 1 ARG C C 13 171.4 0.2 . 1 . . . . A 1 ARG C . 30471 1
3 . 1 1 1 1 ARG CA C 13 55.4 0.2 . 1 . . . . A 1 ARG CA . 30471 1
4 . 1 1 1 1 ARG CB C 13 30.7 0.2 . 1 . . . . A 1 ARG CB . 30471 1
5 . 1 1 1 1 ARG N N 15 126.6 0.1 . 1 . . . . A 1 ARG N . 30471 1
6 . 1 1 7 7 ALA H H 1 7.82 0.02 . 1 . . . . A 7 ALA H . 30471 1
7 . 1 1 7 7 ALA C C 13 176.7 0.2 . 1 . . . . A 7 ALA C . 30471 1
8 . 1 1 7 7 ALA CA C 13 53.0 0.2 . 1 . . . . A 7 ALA CA . 30471 1
9 . 1 1 7 7 ALA CB C 13 19.8 0.2 . 1 . . . . A 7 ALA CB . 30471 1
10 . 1 1 7 7 ALA N N 15 129.5 0.1 . 1 . . . . A 7 ALA N . 30471 1
11 . 1 1 8 8 LEU H H 1 7.86 0.02 . 1 . . . . A 8 LEU H . 30471 1
12 . 1 1 8 8 LEU CA C 13 56.0 0.2 . 1 . . . . A 8 LEU CA . 30471 1
13 . 1 1 8 8 LEU CB C 13 43.0 0.2 . 1 . . . . A 8 LEU CB . 30471 1
14 . 1 1 8 8 LEU N N 15 127.3 0.1 . 1 . . . . A 8 LEU N . 30471 1
15 . 1 1 9 9 THR H H 1 7.66 0.02 . 1 . . . . A 9 THR H . 30471 1
16 . 1 1 9 9 THR CA C 13 63.1 0.2 . 1 . . . . A 9 THR CA . 30471 1
17 . 1 1 9 9 THR CB C 13 70.8 0.2 . 1 . . . . A 9 THR CB . 30471 1
18 . 1 1 9 9 THR N N 15 121.9 0.1 . 1 . . . . A 9 THR N . 30471 1
19 . 1 1 11 11 VAL H H 1 7.97 0.02 . 1 . . . . A 11 VAL H . 30471 1
20 . 1 1 11 11 VAL C C 13 173.9 0.2 . 1 . . . . A 11 VAL C . 30471 1
21 . 1 1 11 11 VAL CA C 13 62.3 0.2 . 1 . . . . A 11 VAL CA . 30471 1
22 . 1 1 11 11 VAL CB C 13 32.8 0.2 . 1 . . . . A 11 VAL CB . 30471 1
23 . 1 1 11 11 VAL N N 15 119.3 0.1 . 1 . . . . A 11 VAL N . 30471 1
24 . 1 1 12 12 THR H H 1 7.84 0.02 . 1 . . . . A 12 THR H . 30471 1
25 . 1 1 12 12 THR CA C 13 63.4 0.2 . 1 . . . . A 12 THR CA . 30471 1
26 . 1 1 12 12 THR CB C 13 70.6 0.2 . 1 . . . . A 12 THR CB . 30471 1
27 . 1 1 12 12 THR N N 15 121.9 0.1 . 1 . . . . A 12 THR N . 30471 1
28 . 1 1 14 14 ASP H H 1 8.39 0.02 . 1 . . . . A 14 ASP H . 30471 1
29 . 1 1 14 14 ASP N N 15 121.5 0.1 . 1 . . . . A 14 ASP N . 30471 1
30 . 1 1 15 15 GLN CA C 13 56.3 0.2 . 1 . . . . A 15 GLN CA . 30471 1
31 . 1 1 15 15 GLN CB C 13 30.8 0.2 . 1 . . . . A 15 GLN CB . 30471 1
32 . 1 1 16 16 LYS H H 1 7.90 0.02 . 1 . . . . A 16 LYS H . 30471 1
33 . 1 1 16 16 LYS C C 13 175.8 0.2 . 1 . . . . A 16 LYS C . 30471 1
34 . 1 1 16 16 LYS CA C 13 56.0 0.2 . 1 . . . . A 16 LYS CA . 30471 1
35 . 1 1 16 16 LYS CB C 13 32.7 0.2 . 1 . . . . A 16 LYS CB . 30471 1
36 . 1 1 16 16 LYS N N 15 113.6 0.1 . 1 . . . . A 16 LYS N . 30471 1
37 . 1 1 17 17 GLU H H 1 7.90 0.02 . 1 . . . . A 17 GLU H . 30471 1
38 . 1 1 17 17 GLU C C 13 176.1 0.2 . 1 . . . . A 17 GLU C . 30471 1
39 . 1 1 17 17 GLU CA C 13 56.2 0.2 . 1 . . . . A 17 GLU CA . 30471 1
40 . 1 1 17 17 GLU CB C 13 30.4 0.2 . 1 . . . . A 17 GLU CB . 30471 1
41 . 1 1 17 17 GLU N N 15 121.6 0.1 . 1 . . . . A 17 GLU N . 30471 1
42 . 1 1 18 18 LYS H H 1 8.31 0.02 . 1 . . . . A 18 LYS H . 30471 1
43 . 1 1 18 18 LYS C C 13 176.6 0.2 . 1 . . . . A 18 LYS C . 30471 1
44 . 1 1 18 18 LYS CA C 13 56.8 0.2 . 1 . . . . A 18 LYS CA . 30471 1
45 . 1 1 18 18 LYS CB C 13 33.1 0.2 . 1 . . . . A 18 LYS CB . 30471 1
46 . 1 1 18 18 LYS N N 15 121.9 0.1 . 1 . . . . A 18 LYS N . 30471 1
47 . 1 1 19 19 GLN H H 1 9.48 0.02 . 1 . . . . A 19 GLN H . 30471 1
48 . 1 1 19 19 GLN HA H 1 4.74 0.02 . 1 . . . . A 19 GLN HA . 30471 1
49 . 1 1 19 19 GLN HB2 H 1 1.96 0.02 . 2 . . . . A 19 GLN HB2 . 30471 1
50 . 1 1 19 19 GLN HB3 H 1 1.96 0.02 . 2 . . . . A 19 GLN HB3 . 30471 1
51 . 1 1 19 19 GLN HG2 H 1 2.43 0.02 . 2 . . . . A 19 GLN HG2 . 30471 1
52 . 1 1 19 19 GLN HG3 H 1 2.43 0.02 . 2 . . . . A 19 GLN HG3 . 30471 1
53 . 1 1 19 19 GLN C C 13 175.4 0.2 . 1 . . . . A 19 GLN C . 30471 1
54 . 1 1 19 19 GLN CA C 13 55.4 0.2 . 1 . . . . A 19 GLN CA . 30471 1
55 . 1 1 19 19 GLN CB C 13 33.0 0.2 . 1 . . . . A 19 GLN CB . 30471 1
56 . 1 1 19 19 GLN N N 15 121.8 0.1 . 1 . . . . A 19 GLN N . 30471 1
57 . 1 1 20 20 LYS H H 1 8.54 0.02 . 1 . . . . A 20 LYS H . 30471 1
58 . 1 1 20 20 LYS N N 15 117.4 0.1 . 1 . . . . A 20 LYS N . 30471 1
59 . 1 1 21 21 PRO HA H 1 5.01 0.02 . 1 . . . . A 21 PRO HA . 30471 1
60 . 1 1 21 21 PRO HB2 H 1 1.62 0.02 . 2 . . . . A 21 PRO HB2 . 30471 1
61 . 1 1 21 21 PRO HB3 H 1 1.62 0.02 . 2 . . . . A 21 PRO HB3 . 30471 1
62 . 1 1 21 21 PRO HG2 H 1 1.44 0.02 . 2 . . . . A 21 PRO HG2 . 30471 1
63 . 1 1 21 21 PRO HG3 H 1 1.44 0.02 . 2 . . . . A 21 PRO HG3 . 30471 1
64 . 1 1 21 21 PRO HD2 H 1 3.85 0.02 . 2 . . . . A 21 PRO HD2 . 30471 1
65 . 1 1 21 21 PRO HD3 H 1 3.85 0.02 . 2 . . . . A 21 PRO HD3 . 30471 1
66 . 1 1 21 21 PRO C C 13 174.6 0.2 . 1 . . . . A 21 PRO C . 30471 1
67 . 1 1 21 21 PRO CA C 13 62.3 0.2 . 1 . . . . A 21 PRO CA . 30471 1
68 . 1 1 21 21 PRO CB C 13 32.6 0.2 . 1 . . . . A 21 PRO CB . 30471 1
69 . 1 1 22 22 ASP H H 1 8.08 0.02 . 1 . . . . A 22 ASP H . 30471 1
70 . 1 1 22 22 ASP HA H 1 4.77 0.02 . 1 . . . . A 22 ASP HA . 30471 1
71 . 1 1 22 22 ASP HB2 H 1 2.33 0.02 . 2 . . . . A 22 ASP HB2 . 30471 1
72 . 1 1 22 22 ASP HB3 H 1 2.35 0.02 . 2 . . . . A 22 ASP HB3 . 30471 1
73 . 1 1 22 22 ASP C C 13 174.9 0.2 . 1 . . . . A 22 ASP C . 30471 1
74 . 1 1 22 22 ASP CA C 13 52.5 0.2 . 1 . . . . A 22 ASP CA . 30471 1
75 . 1 1 22 22 ASP CB C 13 44.2 0.2 . 1 . . . . A 22 ASP CB . 30471 1
76 . 1 1 22 22 ASP N N 15 119.3 0.1 . 1 . . . . A 22 ASP N . 30471 1
77 . 1 1 23 23 ILE H H 1 7.94 0.02 . 1 . . . . A 23 ILE H . 30471 1
78 . 1 1 23 23 ILE HA H 1 4.00 0.02 . 1 . . . . A 23 ILE HA . 30471 1
79 . 1 1 23 23 ILE HB H 1 1.65 0.02 . 1 . . . . A 23 ILE HB . 30471 1
80 . 1 1 23 23 ILE HG12 H 1 1.05 0.02 . 2 . . . . A 23 ILE HG12 . 30471 1
81 . 1 1 23 23 ILE HG13 H 1 1.05 0.02 . 2 . . . . A 23 ILE HG13 . 30471 1
82 . 1 1 23 23 ILE HG21 H 1 0.3 0.02 . 1 . . . . A 23 ILE HG21 . 30471 1
83 . 1 1 23 23 ILE HG22 H 1 0.3 0.02 . 1 . . . . A 23 ILE HG22 . 30471 1
84 . 1 1 23 23 ILE HG23 H 1 0.3 0.02 . 1 . . . . A 23 ILE HG23 . 30471 1
85 . 1 1 23 23 ILE HD11 H 1 0.3 0.02 . 1 . . . . A 23 ILE HD11 . 30471 1
86 . 1 1 23 23 ILE HD12 H 1 0.3 0.02 . 1 . . . . A 23 ILE HD12 . 30471 1
87 . 1 1 23 23 ILE HD13 H 1 0.3 0.02 . 1 . . . . A 23 ILE HD13 . 30471 1
88 . 1 1 23 23 ILE C C 13 173.9 0.2 . 1 . . . . A 23 ILE C . 30471 1
89 . 1 1 23 23 ILE CA C 13 61.6 0.2 . 1 . . . . A 23 ILE CA . 30471 1
90 . 1 1 23 23 ILE CB C 13 38.7 0.2 . 1 . . . . A 23 ILE CB . 30471 1
91 . 1 1 23 23 ILE N N 15 122.8 0.1 . 1 . . . . A 23 ILE N . 30471 1
92 . 1 1 24 24 VAL H H 1 7.94 0.02 . 1 . . . . A 24 VAL H . 30471 1
93 . 1 1 24 24 VAL HA H 1 4.35 0.02 . 1 . . . . A 24 VAL HA . 30471 1
94 . 1 1 24 24 VAL HB H 1 2.04 0.02 . 1 . . . . A 24 VAL HB . 30471 1
95 . 1 1 24 24 VAL HG11 H 1 0.79 0.02 . 2 . . . . A 24 VAL HG11 . 30471 1
96 . 1 1 24 24 VAL HG12 H 1 0.79 0.02 . 2 . . . . A 24 VAL HG12 . 30471 1
97 . 1 1 24 24 VAL HG13 H 1 0.79 0.02 . 2 . . . . A 24 VAL HG13 . 30471 1
98 . 1 1 24 24 VAL HG21 H 1 0.63 0.02 . 2 . . . . A 24 VAL HG21 . 30471 1
99 . 1 1 24 24 VAL HG22 H 1 0.63 0.02 . 2 . . . . A 24 VAL HG22 . 30471 1
100 . 1 1 24 24 VAL HG23 H 1 0.63 0.02 . 2 . . . . A 24 VAL HG23 . 30471 1
101 . 1 1 24 24 VAL C C 13 175.7 0.2 . 1 . . . . A 24 VAL C . 30471 1
102 . 1 1 24 24 VAL CA C 13 61.3 0.2 . 1 . . . . A 24 VAL CA . 30471 1
103 . 1 1 24 24 VAL CB C 13 32.7 0.2 . 1 . . . . A 24 VAL CB . 30471 1
104 . 1 1 24 24 VAL N N 15 118.1 0.1 . 1 . . . . A 24 VAL N . 30471 1
105 . 1 1 25 25 LEU H H 1 7.24 0.02 . 1 . . . . A 25 LEU H . 30471 1
106 . 1 1 25 25 LEU HA H 1 4.73 0.02 . 1 . . . . A 25 LEU HA . 30471 1
107 . 1 1 25 25 LEU HB2 H 1 1.64 0.02 . 2 . . . . A 25 LEU HB2 . 30471 1
108 . 1 1 25 25 LEU HB3 H 1 1.68 0.02 . 2 . . . . A 25 LEU HB3 . 30471 1
109 . 1 1 25 25 LEU HG H 1 1.41 0.02 . 1 . . . . A 25 LEU HG . 30471 1
110 . 1 1 25 25 LEU HD11 H 1 0.64 0.02 . 2 . . . . A 25 LEU HD11 . 30471 1
111 . 1 1 25 25 LEU HD12 H 1 0.64 0.02 . 2 . . . . A 25 LEU HD12 . 30471 1
112 . 1 1 25 25 LEU HD13 H 1 0.64 0.02 . 2 . . . . A 25 LEU HD13 . 30471 1
113 . 1 1 25 25 LEU HD21 H 1 0.77 0.02 . 2 . . . . A 25 LEU HD21 . 30471 1
114 . 1 1 25 25 LEU HD22 H 1 0.77 0.02 . 2 . . . . A 25 LEU HD22 . 30471 1
115 . 1 1 25 25 LEU HD23 H 1 0.77 0.02 . 2 . . . . A 25 LEU HD23 . 30471 1
116 . 1 1 25 25 LEU C C 13 175.0 0.2 . 1 . . . . A 25 LEU C . 30471 1
117 . 1 1 25 25 LEU CA C 13 55.2 0.2 . 1 . . . . A 25 LEU CA . 30471 1
118 . 1 1 25 25 LEU CB C 13 45.0 0.2 . 1 . . . . A 25 LEU CB . 30471 1
119 . 1 1 25 25 LEU N N 15 124.4 0.1 . 1 . . . . A 25 LEU N . 30471 1
120 . 1 1 26 26 TYR H H 1 9.02 0.02 . 1 . . . . A 26 TYR H . 30471 1
121 . 1 1 26 26 TYR HA H 1 4.25 0.02 . 1 . . . . A 26 TYR HA . 30471 1
122 . 1 1 26 26 TYR HB2 H 1 2.71 0.02 . 2 . . . . A 26 TYR HB2 . 30471 1
123 . 1 1 26 26 TYR HB3 H 1 2.71 0.02 . 2 . . . . A 26 TYR HB3 . 30471 1
124 . 1 1 26 26 TYR HD1 H 1 6.30 0.02 . 3 . . . . A 26 TYR HD1 . 30471 1
125 . 1 1 26 26 TYR HD2 H 1 6.30 0.02 . 3 . . . . A 26 TYR HD2 . 30471 1
126 . 1 1 26 26 TYR HE1 H 1 6.59 0.02 . 3 . . . . A 26 TYR HE1 . 30471 1
127 . 1 1 26 26 TYR HE2 H 1 6.59 0.02 . 3 . . . . A 26 TYR HE2 . 30471 1
128 . 1 1 26 26 TYR C C 13 174.3 0.2 . 1 . . . . A 26 TYR C . 30471 1
129 . 1 1 26 26 TYR CA C 13 56.9 0.2 . 1 . . . . A 26 TYR CA . 30471 1
130 . 1 1 26 26 TYR CB C 13 38.0 0.2 . 1 . . . . A 26 TYR CB . 30471 1
131 . 1 1 26 26 TYR N N 15 125.8 0.1 . 1 . . . . A 26 TYR N . 30471 1
132 . 1 1 29 29 PRO HA H 1 4.89 0.02 . 1 . . . . A 29 PRO HA . 30471 1
133 . 1 1 29 29 PRO HB2 H 1 2.16 0.02 . 2 . . . . A 29 PRO HB2 . 30471 1
134 . 1 1 29 29 PRO HB3 H 1 2.14 0.02 . 2 . . . . A 29 PRO HB3 . 30471 1
135 . 1 1 29 29 PRO HD2 H 1 3.85 0.02 . 2 . . . . A 29 PRO HD2 . 30471 1
136 . 1 1 29 29 PRO HD3 H 1 3.85 0.02 . 2 . . . . A 29 PRO HD3 . 30471 1
137 . 1 1 29 29 PRO C C 13 176.3 0.2 . 1 . . . . A 29 PRO C . 30471 1
138 . 1 1 29 29 PRO CA C 13 63.2 0.2 . 1 . . . . A 29 PRO CA . 30471 1
139 . 1 1 29 29 PRO CB C 13 33.2 0.2 . 1 . . . . A 29 PRO CB . 30471 1
140 . 1 1 30 30 VAL H H 1 8.17 0.02 . 1 . . . . A 30 VAL H . 30471 1
141 . 1 1 30 30 VAL HA H 1 4.42 0.02 . 1 . . . . A 30 VAL HA . 30471 1
142 . 1 1 30 30 VAL HB H 1 1.76 0.02 . 1 . . . . A 30 VAL HB . 30471 1
143 . 1 1 30 30 VAL HG11 H 1 0.86 0.02 . 2 . . . . A 30 VAL HG11 . 30471 1
144 . 1 1 30 30 VAL HG12 H 1 0.86 0.02 . 2 . . . . A 30 VAL HG12 . 30471 1
145 . 1 1 30 30 VAL HG13 H 1 0.86 0.02 . 2 . . . . A 30 VAL HG13 . 30471 1
146 . 1 1 30 30 VAL HG21 H 1 0.56 0.02 . 2 . . . . A 30 VAL HG21 . 30471 1
147 . 1 1 30 30 VAL HG22 H 1 0.56 0.02 . 2 . . . . A 30 VAL HG22 . 30471 1
148 . 1 1 30 30 VAL HG23 H 1 0.56 0.02 . 2 . . . . A 30 VAL HG23 . 30471 1
149 . 1 1 30 30 VAL C C 13 174.1 0.2 . 1 . . . . A 30 VAL C . 30471 1
150 . 1 1 30 30 VAL CA C 13 61.4 0.2 . 1 . . . . A 30 VAL CA . 30471 1
151 . 1 1 30 30 VAL CB C 13 37.1 0.2 . 1 . . . . A 30 VAL CB . 30471 1
152 . 1 1 30 30 VAL N N 15 118.3 0.1 . 1 . . . . A 30 VAL N . 30471 1
153 . 1 1 31 31 ARG H H 1 8.40 0.02 . 1 . . . . A 31 ARG H . 30471 1
154 . 1 1 31 31 ARG HA H 1 5.62 0.02 . 1 . . . . A 31 ARG HA . 30471 1
155 . 1 1 31 31 ARG HB2 H 1 1.73 0.02 . 2 . . . . A 31 ARG HB2 . 30471 1
156 . 1 1 31 31 ARG HB3 H 1 1.73 0.02 . 2 . . . . A 31 ARG HB3 . 30471 1
157 . 1 1 31 31 ARG HG2 H 1 1.41 0.02 . 2 . . . . A 31 ARG HG2 . 30471 1
158 . 1 1 31 31 ARG HG3 H 1 1.41 0.02 . 2 . . . . A 31 ARG HG3 . 30471 1
159 . 1 1 31 31 ARG HD2 H 1 3.15 0.02 . 2 . . . . A 31 ARG HD2 . 30471 1
160 . 1 1 31 31 ARG HD3 H 1 3.15 0.02 . 2 . . . . A 31 ARG HD3 . 30471 1
161 . 1 1 31 31 ARG C C 13 175.4 0.2 . 1 . . . . A 31 ARG C . 30471 1
162 . 1 1 31 31 ARG CA C 13 54.8 0.2 . 1 . . . . A 31 ARG CA . 30471 1
163 . 1 1 31 31 ARG CB C 13 32.2 0.2 . 1 . . . . A 31 ARG CB . 30471 1
164 . 1 1 31 31 ARG N N 15 129.2 0.1 . 1 . . . . A 31 ARG N . 30471 1
165 . 1 1 32 32 VAL H H 1 8.45 0.02 . 1 . . . . A 32 VAL H . 30471 1
166 . 1 1 32 32 VAL HA H 1 4.73 0.02 . 1 . . . . A 32 VAL HA . 30471 1
167 . 1 1 32 32 VAL HB H 1 1.92 0.02 . 1 . . . . A 32 VAL HB . 30471 1
168 . 1 1 32 32 VAL HG11 H 1 0.80 0.02 . 2 . . . . A 32 VAL HG11 . 30471 1
169 . 1 1 32 32 VAL HG12 H 1 0.80 0.02 . 2 . . . . A 32 VAL HG12 . 30471 1
170 . 1 1 32 32 VAL HG13 H 1 0.80 0.02 . 2 . . . . A 32 VAL HG13 . 30471 1
171 . 1 1 32 32 VAL HG21 H 1 0.63 0.02 . 2 . . . . A 32 VAL HG21 . 30471 1
172 . 1 1 32 32 VAL HG22 H 1 0.63 0.02 . 2 . . . . A 32 VAL HG22 . 30471 1
173 . 1 1 32 32 VAL HG23 H 1 0.63 0.02 . 2 . . . . A 32 VAL HG23 . 30471 1
174 . 1 1 32 32 VAL C C 13 174.5 0.2 . 1 . . . . A 32 VAL C . 30471 1
175 . 1 1 32 32 VAL CA C 13 58.9 0.2 . 1 . . . . A 32 VAL CA . 30471 1
176 . 1 1 32 32 VAL CB C 13 36.0 0.2 . 1 . . . . A 32 VAL CB . 30471 1
177 . 1 1 32 32 VAL N N 15 119.0 0.1 . 1 . . . . A 32 VAL N . 30471 1
178 . 1 1 33 33 LEU H H 1 8.44 0.02 . 1 . . . . A 33 LEU H . 30471 1
179 . 1 1 33 33 LEU HA H 1 4.65 0.02 . 1 . . . . A 33 LEU HA . 30471 1
180 . 1 1 33 33 LEU HB2 H 1 1.45 0.02 . 2 . . . . A 33 LEU HB2 . 30471 1
181 . 1 1 33 33 LEU HB3 H 1 1.45 0.02 . 2 . . . . A 33 LEU HB3 . 30471 1
182 . 1 1 33 33 LEU HG H 1 1.31 0.02 . 1 . . . . A 33 LEU HG . 30471 1
183 . 1 1 33 33 LEU HD11 H 1 0.70 0.02 . 2 . . . . A 33 LEU HD11 . 30471 1
184 . 1 1 33 33 LEU HD12 H 1 0.70 0.02 . 2 . . . . A 33 LEU HD12 . 30471 1
185 . 1 1 33 33 LEU HD13 H 1 0.70 0.02 . 2 . . . . A 33 LEU HD13 . 30471 1
186 . 1 1 33 33 LEU HD21 H 1 0.80 0.02 . 2 . . . . A 33 LEU HD21 . 30471 1
187 . 1 1 33 33 LEU HD22 H 1 0.80 0.02 . 2 . . . . A 33 LEU HD22 . 30471 1
188 . 1 1 33 33 LEU HD23 H 1 0.80 0.02 . 2 . . . . A 33 LEU HD23 . 30471 1
189 . 1 1 33 33 LEU C C 13 176.9 0.2 . 1 . . . . A 33 LEU C . 30471 1
190 . 1 1 33 33 LEU CA C 13 54.0 0.2 . 1 . . . . A 33 LEU CA . 30471 1
191 . 1 1 33 33 LEU CB C 13 43.2 0.2 . 1 . . . . A 33 LEU CB . 30471 1
192 . 1 1 33 33 LEU N N 15 121.8 0.1 . 1 . . . . A 33 LEU N . 30471 1
193 . 1 1 34 34 GLU H H 1 7.95 0.02 . 1 . . . . A 34 GLU H . 30471 1
194 . 1 1 34 34 GLU HA H 1 3.57 0.02 . 1 . . . . A 34 GLU HA . 30471 1
195 . 1 1 34 34 GLU HB2 H 1 1.88 0.02 . 2 . . . . A 34 GLU HB2 . 30471 1
196 . 1 1 34 34 GLU HB3 H 1 1.88 0.02 . 2 . . . . A 34 GLU HB3 . 30471 1
197 . 1 1 34 34 GLU HG2 H 1 2.35 0.02 . 2 . . . . A 34 GLU HG2 . 30471 1
198 . 1 1 34 34 GLU HG3 H 1 2.35 0.02 . 2 . . . . A 34 GLU HG3 . 30471 1
199 . 1 1 34 34 GLU C C 13 176.7 0.2 . 1 . . . . A 34 GLU C . 30471 1
200 . 1 1 34 34 GLU CA C 13 58.4 0.2 . 1 . . . . A 34 GLU CA . 30471 1
201 . 1 1 34 34 GLU CB C 13 30.0 0.2 . 1 . . . . A 34 GLU CB . 30471 1
202 . 1 1 34 34 GLU N N 15 119.7 0.1 . 1 . . . . A 34 GLU N . 30471 1
203 . 1 1 35 35 GLY H H 1 9.47 0.02 . 1 . . . . A 35 GLY H . 30471 1
204 . 1 1 35 35 GLY HA2 H 1 3.93 0.02 . 2 . . . . A 35 GLY HA2 . 30471 1
205 . 1 1 35 35 GLY HA3 H 1 4.35 0.02 . 2 . . . . A 35 GLY HA3 . 30471 1
206 . 1 1 35 35 GLY C C 13 176.2 0.2 . 1 . . . . A 35 GLY C . 30471 1
207 . 1 1 35 35 GLY CA C 13 44.5 0.2 . 1 . . . . A 35 GLY CA . 30471 1
208 . 1 1 35 35 GLY N N 15 112.0 0.1 . 1 . . . . A 35 GLY N . 30471 1
209 . 1 1 36 36 GLU H H 1 8.12 0.02 . 1 . . . . A 36 GLU H . 30471 1
210 . 1 1 36 36 GLU HA H 1 4.48 0.02 . 1 . . . . A 36 GLU HA . 30471 1
211 . 1 1 36 36 GLU HB2 H 1 2.12 0.02 . 2 . . . . A 36 GLU HB2 . 30471 1
212 . 1 1 36 36 GLU HB3 H 1 2.12 0.02 . 2 . . . . A 36 GLU HB3 . 30471 1
213 . 1 1 36 36 GLU HG2 H 1 2.38 0.02 . 2 . . . . A 36 GLU HG2 . 30471 1
214 . 1 1 36 36 GLU HG3 H 1 2.38 0.02 . 2 . . . . A 36 GLU HG3 . 30471 1
215 . 1 1 36 36 GLU C C 13 174.8 0.2 . 1 . . . . A 36 GLU C . 30471 1
216 . 1 1 36 36 GLU CA C 13 56.4 0.2 . 1 . . . . A 36 GLU CA . 30471 1
217 . 1 1 36 36 GLU CB C 13 30.5 0.2 . 1 . . . . A 36 GLU CB . 30471 1
218 . 1 1 36 36 GLU N N 15 122.2 0.1 . 1 . . . . A 36 GLU N . 30471 1
219 . 1 1 37 37 THR H H 1 8.41 0.02 . 1 . . . . A 37 THR H . 30471 1
220 . 1 1 37 37 THR HA H 1 5.27 0.02 . 1 . . . . A 37 THR HA . 30471 1
221 . 1 1 37 37 THR HB H 1 3.90 0.02 . 1 . . . . A 37 THR HB . 30471 1
222 . 1 1 37 37 THR HG21 H 1 0.87 0.02 . 1 . . . . A 37 THR HG21 . 30471 1
223 . 1 1 37 37 THR HG22 H 1 0.87 0.02 . 1 . . . . A 37 THR HG22 . 30471 1
224 . 1 1 37 37 THR HG23 H 1 0.87 0.02 . 1 . . . . A 37 THR HG23 . 30471 1
225 . 1 1 37 37 THR C C 13 173.3 0.2 . 1 . . . . A 37 THR C . 30471 1
226 . 1 1 37 37 THR CA C 13 61.7 0.2 . 1 . . . . A 37 THR CA . 30471 1
227 . 1 1 37 37 THR CB C 13 70.4 0.2 . 1 . . . . A 37 THR CB . 30471 1
228 . 1 1 37 37 THR N N 15 116.4 0.1 . 1 . . . . A 37 THR N . 30471 1
229 . 1 1 38 38 ALA H H 1 9.10 0.02 . 1 . . . . A 38 ALA H . 30471 1
230 . 1 1 38 38 ALA HA H 1 4.42 0.02 . 1 . . . . A 38 ALA HA . 30471 1
231 . 1 1 38 38 ALA HB1 H 1 1.28 0.02 . 1 . . . . A 38 ALA HB1 . 30471 1
232 . 1 1 38 38 ALA HB2 H 1 1.28 0.02 . 1 . . . . A 38 ALA HB2 . 30471 1
233 . 1 1 38 38 ALA HB3 H 1 1.28 0.02 . 1 . . . . A 38 ALA HB3 . 30471 1
234 . 1 1 38 38 ALA C C 13 174.9 0.2 . 1 . . . . A 38 ALA C . 30471 1
235 . 1 1 38 38 ALA CA C 13 50.4 0.2 . 1 . . . . A 38 ALA CA . 30471 1
236 . 1 1 38 38 ALA CB C 13 22.6 0.2 . 1 . . . . A 38 ALA CB . 30471 1
237 . 1 1 38 38 ALA N N 15 131.1 0.1 . 1 . . . . A 38 ALA N . 30471 1
238 . 1 1 39 39 ARG H H 1 7.84 0.02 . 1 . . . . A 39 ARG H . 30471 1
239 . 1 1 39 39 ARG HA H 1 5.24 0.02 . 1 . . . . A 39 ARG HA . 30471 1
240 . 1 1 39 39 ARG HB2 H 1 1.47 0.02 . 2 . . . . A 39 ARG HB2 . 30471 1
241 . 1 1 39 39 ARG HB3 H 1 1.47 0.02 . 2 . . . . A 39 ARG HB3 . 30471 1
242 . 1 1 39 39 ARG HG2 H 1 1.78 0.02 . 2 . . . . A 39 ARG HG2 . 30471 1
243 . 1 1 39 39 ARG HG3 H 1 1.78 0.02 . 2 . . . . A 39 ARG HG3 . 30471 1
244 . 1 1 39 39 ARG HD2 H 1 3.04 0.02 . 2 . . . . A 39 ARG HD2 . 30471 1
245 . 1 1 39 39 ARG HD3 H 1 3.04 0.02 . 2 . . . . A 39 ARG HD3 . 30471 1
246 . 1 1 39 39 ARG C C 13 175.0 0.2 . 1 . . . . A 39 ARG C . 30471 1
247 . 1 1 39 39 ARG CA C 13 55.5 0.2 . 1 . . . . A 39 ARG CA . 30471 1
248 . 1 1 39 39 ARG CB C 13 31.9 0.2 . 1 . . . . A 39 ARG CB . 30471 1
249 . 1 1 39 39 ARG N N 15 120.8 0.1 . 1 . . . . A 39 ARG N . 30471 1
250 . 1 1 40 40 PHE H H 1 9.38 0.02 . 1 . . . . A 40 PHE H . 30471 1
251 . 1 1 40 40 PHE HA H 1 4.94 0.02 . 1 . . . . A 40 PHE HA . 30471 1
252 . 1 1 40 40 PHE HB2 H 1 3.02 0.02 . 2 . . . . A 40 PHE HB2 . 30471 1
253 . 1 1 40 40 PHE HB3 H 1 2.53 0.02 . . . . . . A 40 PHE HB3 . 30471 1
254 . 1 1 40 40 PHE C C 13 175.1 0.2 . 1 . . . . A 40 PHE C . 30471 1
255 . 1 1 40 40 PHE CA C 13 56.4 0.2 . 1 . . . . A 40 PHE CA . 30471 1
256 . 1 1 40 40 PHE CB C 13 34.5 0.2 . 1 . . . . A 40 PHE CB . 30471 1
257 . 1 1 40 40 PHE N N 15 120.3 0.1 . 1 . . . . A 40 PHE N . 30471 1
258 . 1 1 41 41 ARG H H 1 8.94 0.02 . 1 . . . . A 41 ARG H . 30471 1
259 . 1 1 41 41 ARG HA H 1 5.63 0.02 . 1 . . . . A 41 ARG HA . 30471 1
260 . 1 1 41 41 ARG HB2 H 1 1.74 0.02 . 2 . . . . A 41 ARG HB2 . 30471 1
261 . 1 1 41 41 ARG HB3 H 1 1.75 0.02 . 2 . . . . A 41 ARG HB3 . 30471 1
262 . 1 1 41 41 ARG HG2 H 1 1.45 0.02 . 2 . . . . A 41 ARG HG2 . 30471 1
263 . 1 1 41 41 ARG HG3 H 1 1.45 0.02 . 2 . . . . A 41 ARG HG3 . 30471 1
264 . 1 1 41 41 ARG HD2 H 1 3.00 0.02 . 2 . . . . A 41 ARG HD2 . 30471 1
265 . 1 1 41 41 ARG HD3 H 1 3.00 0.02 . 2 . . . . A 41 ARG HD3 . 30471 1
266 . 1 1 41 41 ARG C C 13 174.7 0.2 . 1 . . . . A 41 ARG C . 30471 1
267 . 1 1 41 41 ARG CA C 13 54.8 0.2 . 1 . . . . A 41 ARG CA . 30471 1
268 . 1 1 41 41 ARG CB C 13 33.9 0.2 . 1 . . . . A 41 ARG CB . 30471 1
269 . 1 1 41 41 ARG N N 15 120.8 0.1 . 1 . . . . A 41 ARG N . 30471 1
270 . 1 1 42 42 CYS H H 1 9.15 0.02 . 1 . . . . A 42 CYS H . 30471 1
271 . 1 1 42 42 CYS HA H 1 4.82 0.02 . 1 . . . . A 42 CYS HA . 30471 1
272 . 1 1 42 42 CYS HB2 H 1 1.66 0.02 . 2 . . . . A 42 CYS HB2 . 30471 1
273 . 1 1 42 42 CYS HB3 H 1 1.66 0.02 . 2 . . . . A 42 CYS HB3 . 30471 1
274 . 1 1 42 42 CYS C C 13 172.4 0.2 . 1 . . . . A 42 CYS C . 30471 1
275 . 1 1 42 42 CYS CA C 13 57.5 0.2 . 1 . . . . A 42 CYS CA . 30471 1
276 . 1 1 42 42 CYS CB C 13 30.6 0.2 . 1 . . . . A 42 CYS CB . 30471 1
277 . 1 1 42 42 CYS N N 15 115.8 0.1 . 1 . . . . A 42 CYS N . 30471 1
278 . 1 1 43 43 ARG H H 1 8.64 0.02 . 1 . . . . A 43 ARG H . 30471 1
279 . 1 1 43 43 ARG HA H 1 5.20 0.02 . 1 . . . . A 43 ARG HA . 30471 1
280 . 1 1 43 43 ARG HB2 H 1 1.87 0.02 . 2 . . . . A 43 ARG HB2 . 30471 1
281 . 1 1 43 43 ARG HB3 H 1 1.87 0.02 . 2 . . . . A 43 ARG HB3 . 30471 1
282 . 1 1 43 43 ARG HG2 H 1 1.45 0.02 . 2 . . . . A 43 ARG HG2 . 30471 1
283 . 1 1 43 43 ARG HG3 H 1 1.45 0.02 . 2 . . . . A 43 ARG HG3 . 30471 1
284 . 1 1 43 43 ARG HD2 H 1 3.00 0.02 . 2 . . . . A 43 ARG HD2 . 30471 1
285 . 1 1 43 43 ARG HD3 H 1 3.00 0.02 . 2 . . . . A 43 ARG HD3 . 30471 1
286 . 1 1 43 43 ARG C C 13 174.7 0.2 . 1 . . . . A 43 ARG C . 30471 1
287 . 1 1 43 43 ARG CA C 13 55.7 0.2 . 1 . . . . A 43 ARG CA . 30471 1
288 . 1 1 43 43 ARG CB C 13 35.3 0.2 . 1 . . . . A 43 ARG CB . 30471 1
289 . 1 1 43 43 ARG N N 15 126.9 0.1 . 1 . . . . A 43 ARG N . 30471 1
290 . 1 1 44 44 VAL H H 1 9.32 0.02 . 1 . . . . A 44 VAL H . 30471 1
291 . 1 1 44 44 VAL HA H 1 5.30 0.02 . 1 . . . . A 44 VAL HA . 30471 1
292 . 1 1 44 44 VAL HB H 1 2.01 0.02 . 1 . . . . A 44 VAL HB . 30471 1
293 . 1 1 44 44 VAL HG11 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG11 . 30471 1
294 . 1 1 44 44 VAL HG12 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG12 . 30471 1
295 . 1 1 44 44 VAL HG13 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG13 . 30471 1
296 . 1 1 44 44 VAL HG21 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG21 . 30471 1
297 . 1 1 44 44 VAL HG22 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG22 . 30471 1
298 . 1 1 44 44 VAL HG23 H 1 0.65 0.02 . 2 . . . . A 44 VAL HG23 . 30471 1
299 . 1 1 44 44 VAL C C 13 178.3 0.2 . 1 . . . . A 44 VAL C . 30471 1
300 . 1 1 44 44 VAL CA C 13 52.7 0.2 . 1 . . . . A 44 VAL CA . 30471 1
301 . 1 1 44 44 VAL CB C 13 34.9 0.2 . 1 . . . . A 44 VAL CB . 30471 1
302 . 1 1 44 44 VAL N N 15 122.8 0.1 . 1 . . . . A 44 VAL N . 30471 1
303 . 1 1 45 45 THR H H 1 8.90 0.02 . 1 . . . . A 45 THR H . 30471 1
304 . 1 1 45 45 THR HA H 1 4.76 0.02 . 1 . . . . A 45 THR HA . 30471 1
305 . 1 1 45 45 THR HB H 1 4.27 0.02 . 1 . . . . A 45 THR HB . 30471 1
306 . 1 1 45 45 THR HG21 H 1 1.05 0.02 . 1 . . . . A 45 THR HG21 . 30471 1
307 . 1 1 45 45 THR HG22 H 1 1.05 0.02 . 1 . . . . A 45 THR HG22 . 30471 1
308 . 1 1 45 45 THR HG23 H 1 1.05 0.02 . 1 . . . . A 45 THR HG23 . 30471 1
309 . 1 1 45 45 THR C C 13 173.2 0.2 . 1 . . . . A 45 THR C . 30471 1
310 . 1 1 45 45 THR CA C 13 59.4 0.2 . 1 . . . . A 45 THR CA . 30471 1
311 . 1 1 45 45 THR CB C 13 71.4 0.2 . 1 . . . . A 45 THR CB . 30471 1
312 . 1 1 45 45 THR N N 15 114.5 0.1 . 1 . . . . A 45 THR N . 30471 1
313 . 1 1 46 46 GLY H H 1 7.91 0.02 . 1 . . . . A 46 GLY H . 30471 1
314 . 1 1 46 46 GLY HA2 H 1 3.92 0.02 . 2 . . . . A 46 GLY HA2 . 30471 1
315 . 1 1 46 46 GLY HA3 H 1 3.37 0.02 . 2 . . . . A 46 GLY HA3 . 30471 1
316 . 1 1 46 46 GLY C C 13 170.9 0.2 . 1 . . . . A 46 GLY C . 30471 1
317 . 1 1 46 46 GLY CA C 13 44.9 0.2 . 1 . . . . A 46 GLY CA . 30471 1
318 . 1 1 46 46 GLY N N 15 106.5 0.1 . 1 . . . . A 46 GLY N . 30471 1
319 . 1 1 47 47 TYR H H 1 8.25 0.02 . 1 . . . . A 47 TYR H . 30471 1
320 . 1 1 47 47 TYR HA H 1 4.38 0.02 . 1 . . . . A 47 TYR HA . 30471 1
321 . 1 1 47 47 TYR HB2 H 1 3.01 0.02 . 2 . . . . A 47 TYR HB2 . 30471 1
322 . 1 1 47 47 TYR HB3 H 1 3.01 0.02 . 2 . . . . A 47 TYR HB3 . 30471 1
323 . 1 1 47 47 TYR HD1 H 1 6.9 0.02 . 2 . . . . A 47 TYR HD1 . 30471 1
324 . 1 1 47 47 TYR HD2 H 1 6.9 0.02 . 2 . . . . A 47 TYR HD2 . 30471 1
325 . 1 1 47 47 TYR C C 13 172.9 0.2 . 1 . . . . A 47 TYR C . 30471 1
326 . 1 1 47 47 TYR CA C 13 57.2 0.2 . 1 . . . . A 47 TYR CA . 30471 1
327 . 1 1 47 47 TYR CB C 13 41.2 0.2 . 1 . . . . A 47 TYR CB . 30471 1
328 . 1 1 47 47 TYR N N 15 120.7 0.1 . 1 . . . . A 47 TYR N . 30471 1
329 . 1 1 48 48 PRO C C 13 174.9 0.2 . 1 . . . . A 48 PRO C . 30471 1
330 . 1 1 48 48 PRO CA C 13 62.6 0.2 . 1 . . . . A 48 PRO CA . 30471 1
331 . 1 1 48 48 PRO CB C 13 32.0 0.2 . 1 . . . . A 48 PRO CB . 30471 1
332 . 1 1 49 49 GLN H H 1 8.36 0.02 . 1 . . . . A 49 GLN H . 30471 1
333 . 1 1 49 49 GLN HA H 1 5.02 0.02 . 1 . . . . A 49 GLN HA . 30471 1
334 . 1 1 49 49 GLN HB2 H 1 1.86 0.02 . 2 . . . . A 49 GLN HB2 . 30471 1
335 . 1 1 49 49 GLN HB3 H 1 1.86 0.02 . 2 . . . . A 49 GLN HB3 . 30471 1
336 . 1 1 49 49 GLN HG2 H 1 2.46 0.02 . 2 . . . . A 49 GLN HG2 . 30471 1
337 . 1 1 49 49 GLN HG3 H 1 2.46 0.02 . 2 . . . . A 49 GLN HG3 . 30471 1
338 . 1 1 49 49 GLN C C 13 174.0 0.2 . 1 . . . . A 49 GLN C . 30471 1
339 . 1 1 49 49 GLN CA C 13 53.6 0.2 . 1 . . . . A 49 GLN CA . 30471 1
340 . 1 1 49 49 GLN CB C 13 31.6 0.2 . 1 . . . . A 49 GLN CB . 30471 1
341 . 1 1 49 49 GLN N N 15 120.4 0.1 . 1 . . . . A 49 GLN N . 30471 1
342 . 1 1 50 50 PRO HA H 1 4.34 0.02 . 1 . . . . A 50 PRO HA . 30471 1
343 . 1 1 50 50 PRO HB2 H 1 1.72 0.02 . 2 . . . . A 50 PRO HB2 . 30471 1
344 . 1 1 50 50 PRO HB3 H 1 1.72 0.02 . 2 . . . . A 50 PRO HB3 . 30471 1
345 . 1 1 50 50 PRO HG2 H 1 1.39 0.02 . 2 . . . . A 50 PRO HG2 . 30471 1
346 . 1 1 50 50 PRO HG3 H 1 1.39 0.02 . 2 . . . . A 50 PRO HG3 . 30471 1
347 . 1 1 50 50 PRO HD2 H 1 3.81 0.02 . 2 . . . . A 50 PRO HD2 . 30471 1
348 . 1 1 50 50 PRO HD3 H 1 3.81 0.02 . 2 . . . . A 50 PRO HD3 . 30471 1
349 . 1 1 50 50 PRO C C 13 175.3 0.2 . 1 . . . . A 50 PRO C . 30471 1
350 . 1 1 50 50 PRO CA C 13 62.7 0.2 . 1 . . . . A 50 PRO CA . 30471 1
351 . 1 1 50 50 PRO CB C 13 32.9 0.2 . 1 . . . . A 50 PRO CB . 30471 1
352 . 1 1 51 51 LYS H H 1 8.92 0.02 . 1 . . . . A 51 LYS H . 30471 1
353 . 1 1 51 51 LYS HA H 1 4.42 0.02 . 1 . . . . A 51 LYS HA . 30471 1
354 . 1 1 51 51 LYS HB2 H 1 1.71 0.02 . 2 . . . . A 51 LYS HB2 . 30471 1
355 . 1 1 51 51 LYS HB3 H 1 1.71 0.02 . 2 . . . . A 51 LYS HB3 . 30471 1
356 . 1 1 51 51 LYS HG2 H 1 1.35 0.02 . 2 . . . . A 51 LYS HG2 . 30471 1
357 . 1 1 51 51 LYS HG3 H 1 1.35 0.02 . 2 . . . . A 51 LYS HG3 . 30471 1
358 . 1 1 51 51 LYS HD2 H 1 1.64 0.02 . 2 . . . . A 51 LYS HD2 . 30471 1
359 . 1 1 51 51 LYS HD3 H 1 1.64 0.02 . 2 . . . . A 51 LYS HD3 . 30471 1
360 . 1 1 51 51 LYS HE2 H 1 3.13 0.02 . 2 . . . . A 51 LYS HE2 . 30471 1
361 . 1 1 51 51 LYS HE3 H 1 3.13 0.02 . 2 . . . . A 51 LYS HE3 . 30471 1
362 . 1 1 51 51 LYS C C 13 176.5 0.2 . 1 . . . . A 51 LYS C . 30471 1
363 . 1 1 51 51 LYS CA C 13 55.3 0.2 . 1 . . . . A 51 LYS CA . 30471 1
364 . 1 1 51 51 LYS CB C 13 32.9 0.2 . 1 . . . . A 51 LYS CB . 30471 1
365 . 1 1 51 51 LYS N N 15 123.6 0.1 . 1 . . . . A 51 LYS N . 30471 1
366 . 1 1 52 52 VAL H H 1 8.54 0.02 . 1 . . . . A 52 VAL H . 30471 1
367 . 1 1 52 52 VAL HA H 1 4.87 0.02 . 1 . . . . A 52 VAL HA . 30471 1
368 . 1 1 52 52 VAL HB H 1 0.81 0.02 . 1 . . . . A 52 VAL HB . 30471 1
369 . 1 1 52 52 VAL HG11 H 1 0.12 0.02 . 2 . . . . A 52 VAL HG11 . 30471 1
370 . 1 1 52 52 VAL HG12 H 1 0.12 0.02 . 2 . . . . A 52 VAL HG12 . 30471 1
371 . 1 1 52 52 VAL HG13 H 1 0.12 0.02 . 2 . . . . A 52 VAL HG13 . 30471 1
372 . 1 1 52 52 VAL HG21 H 1 -0.2 0.02 . 2 . . . . A 52 VAL HG21 . 30471 1
373 . 1 1 52 52 VAL HG22 H 1 -0.2 0.02 . 2 . . . . A 52 VAL HG22 . 30471 1
374 . 1 1 52 52 VAL HG23 H 1 -0.2 0.02 . 2 . . . . A 52 VAL HG23 . 30471 1
375 . 1 1 52 52 VAL C C 13 174.6 0.2 . 1 . . . . A 52 VAL C . 30471 1
376 . 1 1 52 52 VAL CA C 13 61.0 0.2 . 1 . . . . A 52 VAL CA . 30471 1
377 . 1 1 52 52 VAL CB C 13 33.5 0.2 . 1 . . . . A 52 VAL CB . 30471 1
378 . 1 1 52 52 VAL N N 15 129.9 0.1 . 1 . . . . A 52 VAL N . 30471 1
379 . 1 1 53 53 ASN H H 1 8.32 0.02 . 1 . . . . A 53 ASN H . 30471 1
380 . 1 1 53 53 ASN HA H 1 4.86 0.02 . 1 . . . . A 53 ASN HA . 30471 1
381 . 1 1 53 53 ASN HB2 H 1 2.10 0.02 . 2 . . . . A 53 ASN HB2 . 30471 1
382 . 1 1 53 53 ASN HB3 H 1 2.50 0.02 . 2 . . . . A 53 ASN HB3 . 30471 1
383 . 1 1 53 53 ASN C C 13 171.4 0.2 . 1 . . . . A 53 ASN C . 30471 1
384 . 1 1 53 53 ASN CA C 13 51.6 0.2 . 1 . . . . A 53 ASN CA . 30471 1
385 . 1 1 53 53 ASN CB C 13 43.6 0.2 . 1 . . . . A 53 ASN CB . 30471 1
386 . 1 1 53 53 ASN N N 15 125.8 0.1 . 1 . . . . A 53 ASN N . 30471 1
387 . 1 1 54 54 TRP H H 1 8.88 0.02 . 1 . . . . A 54 TRP H . 30471 1
388 . 1 1 54 54 TRP HA H 1 5.45 0.02 . 1 . . . . A 54 TRP HA . 30471 1
389 . 1 1 54 54 TRP HB2 H 1 2.67 0.02 . 2 . . . . A 54 TRP HB2 . 30471 1
390 . 1 1 54 54 TRP HB3 H 1 2.91 0.02 . 2 . . . . A 54 TRP HB3 . 30471 1
391 . 1 1 54 54 TRP C C 13 174.8 0.2 . 1 . . . . A 54 TRP C . 30471 1
392 . 1 1 54 54 TRP CA C 13 55.1 0.2 . 1 . . . . A 54 TRP CA . 30471 1
393 . 1 1 54 54 TRP CB C 13 33.1 0.2 . 1 . . . . A 54 TRP CB . 30471 1
394 . 1 1 54 54 TRP N N 15 119.1 0.1 . 1 . . . . A 54 TRP N . 30471 1
395 . 1 1 55 55 TYR H H 1 9.53 0.02 . 1 . . . . A 55 TYR H . 30471 1
396 . 1 1 55 55 TYR HA H 1 5.11 0.02 . 1 . . . . A 55 TYR HA . 30471 1
397 . 1 1 55 55 TYR HB2 H 1 2.28 0.02 . 2 . . . . A 55 TYR HB2 . 30471 1
398 . 1 1 55 55 TYR HB3 H 1 2.86 0.02 . 2 . . . . A 55 TYR HB3 . 30471 1
399 . 1 1 55 55 TYR C C 13 174.8 0.2 . 1 . . . . A 55 TYR C . 30471 1
400 . 1 1 55 55 TYR CA C 13 56.2 0.2 . 1 . . . . A 55 TYR CA . 30471 1
401 . 1 1 55 55 TYR CB C 13 42.5 0.2 . 1 . . . . A 55 TYR CB . 30471 1
402 . 1 1 55 55 TYR N N 15 117.8 0.1 . 1 . . . . A 55 TYR N . 30471 1
403 . 1 1 56 56 LEU H H 1 8.52 0.02 . 1 . . . . A 56 LEU H . 30471 1
404 . 1 1 56 56 LEU HA H 1 5.22 0.02 . 1 . . . . A 56 LEU HA . 30471 1
405 . 1 1 56 56 LEU HB2 H 1 1.51 0.02 . 2 . . . . A 56 LEU HB2 . 30471 1
406 . 1 1 56 56 LEU HB3 H 1 1.51 0.02 . 2 . . . . A 56 LEU HB3 . 30471 1
407 . 1 1 56 56 LEU HD11 H 1 1.12 0.02 . 2 . . . . A 56 LEU HD11 . 30471 1
408 . 1 1 56 56 LEU HD12 H 1 1.12 0.02 . 2 . . . . A 56 LEU HD12 . 30471 1
409 . 1 1 56 56 LEU HD13 H 1 1.12 0.02 . 2 . . . . A 56 LEU HD13 . 30471 1
410 . 1 1 56 56 LEU HD21 H 1 0.86 0.02 . 2 . . . . A 56 LEU HD21 . 30471 1
411 . 1 1 56 56 LEU HD22 H 1 0.86 0.02 . 2 . . . . A 56 LEU HD22 . 30471 1
412 . 1 1 56 56 LEU HD23 H 1 0.86 0.02 . 2 . . . . A 56 LEU HD23 . 30471 1
413 . 1 1 56 56 LEU C C 13 176.8 0.2 . 1 . . . . A 56 LEU C . 30471 1
414 . 1 1 56 56 LEU CA C 13 53.3 0.2 . 1 . . . . A 56 LEU CA . 30471 1
415 . 1 1 56 56 LEU CB C 13 44.1 0.2 . 1 . . . . A 56 LEU CB . 30471 1
416 . 1 1 56 56 LEU N N 15 121.5 0.1 . 1 . . . . A 56 LEU N . 30471 1
417 . 1 1 57 57 ASN H H 1 9.84 0.02 . 1 . . . . A 57 ASN H . 30471 1
418 . 1 1 57 57 ASN HA H 1 4.59 0.02 . 1 . . . . A 57 ASN HA . 30471 1
419 . 1 1 57 57 ASN HB2 H 1 2.93 0.02 . 2 . . . . A 57 ASN HB2 . 30471 1
420 . 1 1 57 57 ASN HB3 H 1 2.93 0.02 . 2 . . . . A 57 ASN HB3 . 30471 1
421 . 1 1 57 57 ASN C C 13 175.8 0.2 . 1 . . . . A 57 ASN C . 30471 1
422 . 1 1 57 57 ASN CA C 13 55.4 0.2 . 1 . . . . A 57 ASN CA . 30471 1
423 . 1 1 57 57 ASN CB C 13 37.4 0.2 . 1 . . . . A 57 ASN CB . 30471 1
424 . 1 1 57 57 ASN N N 15 128.3 0.1 . 1 . . . . A 57 ASN N . 30471 1
425 . 1 1 58 58 GLY H H 1 9.42 0.02 . 1 . . . . A 58 GLY H . 30471 1
426 . 1 1 58 58 GLY HA2 H 1 4.61 0.02 . 2 . . . . A 58 GLY HA2 . 30471 1
427 . 1 1 58 58 GLY HA3 H 1 3.45 0.02 . 2 . . . . A 58 GLY HA3 . 30471 1
428 . 1 1 58 58 GLY C C 13 173.7 0.2 . 1 . . . . A 58 GLY C . 30471 1
429 . 1 1 58 58 GLY CA C 13 45.4 0.2 . 1 . . . . A 58 GLY CA . 30471 1
430 . 1 1 58 58 GLY N N 15 107.3 0.1 . 1 . . . . A 58 GLY N . 30471 1
431 . 1 1 59 59 GLN H H 1 7.96 0.02 . 1 . . . . A 59 GLN H . 30471 1
432 . 1 1 59 59 GLN HA H 1 4.66 0.02 . 1 . . . . A 59 GLN HA . 30471 1
433 . 1 1 59 59 GLN HB2 H 1 2.13 0.02 . 2 . . . . A 59 GLN HB2 . 30471 1
434 . 1 1 59 59 GLN HB3 H 1 2.13 0.02 . 2 . . . . A 59 GLN HB3 . 30471 1
435 . 1 1 59 59 GLN HG2 H 1 2.34 0.02 . 2 . . . . A 59 GLN HG2 . 30471 1
436 . 1 1 59 59 GLN HG3 H 1 2.34 0.02 . 2 . . . . A 59 GLN HG3 . 30471 1
437 . 1 1 59 59 GLN C C 13 175.1 0.2 . 1 . . . . A 59 GLN C . 30471 1
438 . 1 1 59 59 GLN CA C 13 54.3 0.2 . 1 . . . . A 59 GLN CA . 30471 1
439 . 1 1 59 59 GLN CB C 13 29.9 0.2 . 1 . . . . A 59 GLN CB . 30471 1
440 . 1 1 59 59 GLN N N 15 121.0 0.1 . 1 . . . . A 59 GLN N . 30471 1
441 . 1 1 60 60 LEU H H 1 8.68 0.02 . 1 . . . . A 60 LEU H . 30471 1
442 . 1 1 60 60 LEU HA H 1 3.50 0.02 . 1 . . . . A 60 LEU HA . 30471 1
443 . 1 1 60 60 LEU HB2 H 1 1.53 0.02 . 2 . . . . A 60 LEU HB2 . 30471 1
444 . 1 1 60 60 LEU HB3 H 1 1.53 0.02 . 2 . . . . A 60 LEU HB3 . 30471 1
445 . 1 1 60 60 LEU HD11 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD11 . 30471 1
446 . 1 1 60 60 LEU HD12 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD12 . 30471 1
447 . 1 1 60 60 LEU HD13 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD13 . 30471 1
448 . 1 1 60 60 LEU HD21 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD21 . 30471 1
449 . 1 1 60 60 LEU HD22 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD22 . 30471 1
450 . 1 1 60 60 LEU HD23 H 1 1.20 0.02 . 2 . . . . A 60 LEU HD23 . 30471 1
451 . 1 1 60 60 LEU C C 13 176.7 0.2 . 1 . . . . A 60 LEU C . 30471 1
452 . 1 1 60 60 LEU CA C 13 56.2 0.2 . 1 . . . . A 60 LEU CA . 30471 1
453 . 1 1 60 60 LEU CB C 13 42.2 0.2 . 1 . . . . A 60 LEU CB . 30471 1
454 . 1 1 60 60 LEU N N 15 128.7 0.1 . 1 . . . . A 60 LEU N . 30471 1
455 . 1 1 61 61 ILE H H 1 8.77 0.02 . 1 . . . . A 61 ILE H . 30471 1
456 . 1 1 61 61 ILE HA H 1 3.60 0.02 . 1 . . . . A 61 ILE HA . 30471 1
457 . 1 1 61 61 ILE HB H 1 1.53 0.02 . 1 . . . . A 61 ILE HB . 30471 1
458 . 1 1 61 61 ILE HG12 H 1 1.22 0.02 . 2 . . . . A 61 ILE HG12 . 30471 1
459 . 1 1 61 61 ILE HG13 H 1 1.22 0.02 . 2 . . . . A 61 ILE HG13 . 30471 1
460 . 1 1 61 61 ILE HG21 H 1 0.36 0.02 . 1 . . . . A 61 ILE HG21 . 30471 1
461 . 1 1 61 61 ILE HG22 H 1 0.36 0.02 . 1 . . . . A 61 ILE HG22 . 30471 1
462 . 1 1 61 61 ILE HG23 H 1 0.36 0.02 . 1 . . . . A 61 ILE HG23 . 30471 1
463 . 1 1 61 61 ILE HD11 H 1 0.42 0.02 . 1 . . . . A 61 ILE HD11 . 30471 1
464 . 1 1 61 61 ILE HD12 H 1 0.42 0.02 . 1 . . . . A 61 ILE HD12 . 30471 1
465 . 1 1 61 61 ILE HD13 H 1 0.42 0.02 . 1 . . . . A 61 ILE HD13 . 30471 1
466 . 1 1 61 61 ILE C C 13 175.2 0.2 . 1 . . . . A 61 ILE C . 30471 1
467 . 1 1 61 61 ILE CA C 13 61.9 0.2 . 1 . . . . A 61 ILE CA . 30471 1
468 . 1 1 61 61 ILE CB C 13 37.5 0.2 . 1 . . . . A 61 ILE CB . 30471 1
469 . 1 1 61 61 ILE N N 15 129.6 0.1 . 1 . . . . A 61 ILE N . 30471 1
470 . 1 1 62 62 ARG H H 1 7.72 0.02 . 1 . . . . A 62 ARG H . 30471 1
471 . 1 1 62 62 ARG HA H 1 4.53 0.02 . 1 . . . . A 62 ARG HA . 30471 1
472 . 1 1 62 62 ARG HB2 H 1 1.81 0.02 . 2 . . . . A 62 ARG HB2 . 30471 1
473 . 1 1 62 62 ARG HB3 H 1 1.81 0.02 . 2 . . . . A 62 ARG HB3 . 30471 1
474 . 1 1 62 62 ARG HG2 H 1 1.64 0.02 . 2 . . . . A 62 ARG HG2 . 30471 1
475 . 1 1 62 62 ARG HG3 H 1 1.64 0.02 . 2 . . . . A 62 ARG HG3 . 30471 1
476 . 1 1 62 62 ARG HD2 H 1 3.19 0.02 . 2 . . . . A 62 ARG HD2 . 30471 1
477 . 1 1 62 62 ARG HD3 H 1 3.19 0.02 . 2 . . . . A 62 ARG HD3 . 30471 1
478 . 1 1 62 62 ARG C C 13 175.0 0.2 . 1 . . . . A 62 ARG C . 30471 1
479 . 1 1 62 62 ARG CA C 13 53.8 0.2 . 1 . . . . A 62 ARG CA . 30471 1
480 . 1 1 62 62 ARG CB C 13 32.3 0.2 . 1 . . . . A 62 ARG CB . 30471 1
481 . 1 1 62 62 ARG N N 15 127.5 0.1 . 1 . . . . A 62 ARG N . 30471 1
482 . 1 1 63 63 LYS HA H 1 4.35 0.02 . 1 . . . . A 63 LYS HA . 30471 1
483 . 1 1 63 63 LYS HB2 H 1 1.87 0.02 . 2 . . . . A 63 LYS HB2 . 30471 1
484 . 1 1 63 63 LYS HB3 H 1 1.87 0.02 . 2 . . . . A 63 LYS HB3 . 30471 1
485 . 1 1 63 63 LYS C C 13 176.4 0.2 . 1 . . . . A 63 LYS C . 30471 1
486 . 1 1 63 63 LYS CA C 13 58.1 0.2 . 1 . . . . A 63 LYS CA . 30471 1
487 . 1 1 63 63 LYS CB C 13 32.8 0.2 . 1 . . . . A 63 LYS CB . 30471 1
488 . 1 1 64 64 SER H H 1 9.24 0.02 . 1 . . . . A 64 SER H . 30471 1
489 . 1 1 64 64 SER HA H 1 4.67 0.02 . 1 . . . . A 64 SER HA . 30471 1
490 . 1 1 64 64 SER HB2 H 1 4.67 0.02 . 2 . . . . A 64 SER HB2 . 30471 1
491 . 1 1 64 64 SER HB3 H 1 4.67 0.02 . 2 . . . . A 64 SER HB3 . 30471 1
492 . 1 1 64 64 SER C C 13 176.2 0.2 . 1 . . . . A 64 SER C . 30471 1
493 . 1 1 64 64 SER CA C 13 57.5 0.2 . 1 . . . . A 64 SER CA . 30471 1
494 . 1 1 64 64 SER CB C 13 65.3 0.2 . 1 . . . . A 64 SER CB . 30471 1
495 . 1 1 64 64 SER N N 15 120.0 0.1 . 1 . . . . A 64 SER N . 30471 1
496 . 1 1 66 66 ARG HA H 1 4.31 0.02 . 1 . . . . A 66 ARG HA . 30471 1
497 . 1 1 66 66 ARG HB2 H 1 1.87 0.02 . 2 . . . . A 66 ARG HB2 . 30471 1
498 . 1 1 66 66 ARG HB3 H 1 1.87 0.02 . 2 . . . . A 66 ARG HB3 . 30471 1
499 . 1 1 66 66 ARG HG2 H 1 1.46 0.02 . 2 . . . . A 66 ARG HG2 . 30471 1
500 . 1 1 66 66 ARG HG3 H 1 1.46 0.02 . 2 . . . . A 66 ARG HG3 . 30471 1
501 . 1 1 66 66 ARG HD2 H 1 2.94 0.02 . 2 . . . . A 66 ARG HD2 . 30471 1
502 . 1 1 66 66 ARG HD3 H 1 2.94 0.02 . 2 . . . . A 66 ARG HD3 . 30471 1
503 . 1 1 66 66 ARG C C 13 174.0 0.2 . 1 . . . . A 66 ARG C . 30471 1
504 . 1 1 66 66 ARG CA C 13 56.8 0.2 . 1 . . . . A 66 ARG CA . 30471 1
505 . 1 1 66 66 ARG CB C 13 30.7 0.2 . 1 . . . . A 66 ARG CB . 30471 1
506 . 1 1 67 67 PHE H H 1 7.09 0.02 . 1 . . . . A 67 PHE H . 30471 1
507 . 1 1 67 67 PHE HA H 1 5.33 0.02 . 1 . . . . A 67 PHE HA . 30471 1
508 . 1 1 67 67 PHE HB2 H 1 3.20 0.02 . 2 . . . . A 67 PHE HB2 . 30471 1
509 . 1 1 67 67 PHE HB3 H 1 2.50 0.02 . 2 . . . . A 67 PHE HB3 . 30471 1
510 . 1 1 67 67 PHE HD1 H 1 7.25 0.02 . 3 . . . . A 67 PHE HD1 . 30471 1
511 . 1 1 67 67 PHE HD2 H 1 7.25 0.02 . 3 . . . . A 67 PHE HD2 . 30471 1
512 . 1 1 67 67 PHE C C 13 174.6 0.2 . 1 . . . . A 67 PHE C . 30471 1
513 . 1 1 67 67 PHE CA C 13 55.3 0.2 . 1 . . . . A 67 PHE CA . 30471 1
514 . 1 1 67 67 PHE CB C 13 40.2 0.2 . 1 . . . . A 67 PHE CB . 30471 1
515 . 1 1 67 67 PHE N N 15 117.1 0.1 . 1 . . . . A 67 PHE N . 30471 1
516 . 1 1 68 68 ARG H H 1 9.07 0.02 . 1 . . . . A 68 ARG H . 30471 1
517 . 1 1 68 68 ARG HA H 1 4.79 0.02 . 1 . . . . A 68 ARG HA . 30471 1
518 . 1 1 68 68 ARG HB2 H 1 1.86 0.02 . 2 . . . . A 68 ARG HB2 . 30471 1
519 . 1 1 68 68 ARG HB3 H 1 1.86 0.02 . 2 . . . . A 68 ARG HB3 . 30471 1
520 . 1 1 68 68 ARG HG2 H 1 1.56 0.02 . 2 . . . . A 68 ARG HG2 . 30471 1
521 . 1 1 68 68 ARG HG3 H 1 1.56 0.02 . 2 . . . . A 68 ARG HG3 . 30471 1
522 . 1 1 68 68 ARG HD2 H 1 3.16 0.02 . 2 . . . . A 68 ARG HD2 . 30471 1
523 . 1 1 68 68 ARG HD3 H 1 3.16 0.02 . 2 . . . . A 68 ARG HD3 . 30471 1
524 . 1 1 68 68 ARG C C 13 175.3 0.2 . 1 . . . . A 68 ARG C . 30471 1
525 . 1 1 68 68 ARG CA C 13 54.9 0.2 . 1 . . . . A 68 ARG CA . 30471 1
526 . 1 1 68 68 ARG CB C 13 30.7 0.2 . 1 . . . . A 68 ARG CB . 30471 1
527 . 1 1 68 68 ARG N N 15 122.2 0.1 . 1 . . . . A 68 ARG N . 30471 1
528 . 1 1 69 69 VAL H H 1 7.81 0.02 . 1 . . . . A 69 VAL H . 30471 1
529 . 1 1 69 69 VAL HA H 1 5.06 0.02 . 1 . . . . A 69 VAL HA . 30471 1
530 . 1 1 69 69 VAL HB H 1 2.00 0.02 . 1 . . . . A 69 VAL HB . 30471 1
531 . 1 1 69 69 VAL HG11 H 1 1.15 0.02 . 2 . . . . A 69 VAL HG11 . 30471 1
532 . 1 1 69 69 VAL HG12 H 1 1.15 0.02 . 2 . . . . A 69 VAL HG12 . 30471 1
533 . 1 1 69 69 VAL HG13 H 1 1.15 0.02 . 2 . . . . A 69 VAL HG13 . 30471 1
534 . 1 1 69 69 VAL HG21 H 1 0.84 0.02 . 2 . . . . A 69 VAL HG21 . 30471 1
535 . 1 1 69 69 VAL HG22 H 1 0.84 0.02 . 2 . . . . A 69 VAL HG22 . 30471 1
536 . 1 1 69 69 VAL HG23 H 1 0.84 0.02 . 2 . . . . A 69 VAL HG23 . 30471 1
537 . 1 1 69 69 VAL C C 13 175.8 0.2 . 1 . . . . A 69 VAL C . 30471 1
538 . 1 1 69 69 VAL CA C 13 60.7 0.2 . 1 . . . . A 69 VAL CA . 30471 1
539 . 1 1 69 69 VAL CB C 13 34.9 0.2 . 1 . . . . A 69 VAL CB . 30471 1
540 . 1 1 69 69 VAL N N 15 123.1 0.1 . 1 . . . . A 69 VAL N . 30471 1
541 . 1 1 70 70 ARG H H 1 8.82 0.02 . 1 . . . . A 70 ARG H . 30471 1
542 . 1 1 70 70 ARG HA H 1 5.00 0.02 . 1 . . . . A 70 ARG HA . 30471 1
543 . 1 1 70 70 ARG HB2 H 1 1.83 0.02 . 2 . . . . A 70 ARG HB2 . 30471 1
544 . 1 1 70 70 ARG HB3 H 1 1.83 0.02 . 2 . . . . A 70 ARG HB3 . 30471 1
545 . 1 1 70 70 ARG HG2 H 1 1.43 0.02 . 2 . . . . A 70 ARG HG2 . 30471 1
546 . 1 1 70 70 ARG HG3 H 1 1.43 0.02 . 2 . . . . A 70 ARG HG3 . 30471 1
547 . 1 1 70 70 ARG HD2 H 1 3.16 0.02 . 2 . . . . A 70 ARG HD2 . 30471 1
548 . 1 1 70 70 ARG HD3 H 1 3.16 0.02 . 2 . . . . A 70 ARG HD3 . 30471 1
549 . 1 1 70 70 ARG C C 13 174.3 0.2 . 1 . . . . A 70 ARG C . 30471 1
550 . 1 1 70 70 ARG CA C 13 55.1 0.2 . 1 . . . . A 70 ARG CA . 30471 1
551 . 1 1 70 70 ARG CB C 13 34.6 0.2 . 1 . . . . A 70 ARG CB . 30471 1
552 . 1 1 70 70 ARG N N 15 123.6 0.1 . 1 . . . . A 70 ARG N . 30471 1
553 . 1 1 71 71 TYR H H 1 9.31 0.02 . 1 . . . . A 71 TYR H . 30471 1
554 . 1 1 71 71 TYR HA H 1 5.74 0.02 . 1 . . . . A 71 TYR HA . 30471 1
555 . 1 1 71 71 TYR HB2 H 1 2.66 0.02 . 2 . . . . A 71 TYR HB2 . 30471 1
556 . 1 1 71 71 TYR HB3 H 1 2.66 0.02 . 2 . . . . A 71 TYR HB3 . 30471 1
557 . 1 1 71 71 TYR C C 13 174.7 0.2 . 1 . . . . A 71 TYR C . 30471 1
558 . 1 1 71 71 TYR CA C 13 56.9 0.2 . 1 . . . . A 71 TYR CA . 30471 1
559 . 1 1 71 71 TYR CB C 13 41.3 0.2 . 1 . . . . A 71 TYR CB . 30471 1
560 . 1 1 72 72 ASP H H 1 8.47 0.02 . 1 . . . . A 72 ASP H . 30471 1
561 . 1 1 72 72 ASP HA H 1 4.44 0.02 . 1 . . . . A 72 ASP HA . 30471 1
562 . 1 1 72 72 ASP HB2 H 1 3.08 0.02 . 2 . . . . A 72 ASP HB2 . 30471 1
563 . 1 1 72 72 ASP HB3 H 1 3.08 0.02 . 2 . . . . A 72 ASP HB3 . 30471 1
564 . 1 1 72 72 ASP C C 13 175.9 0.2 . 1 . . . . A 72 ASP C . 30471 1
565 . 1 1 72 72 ASP CA C 13 52.7 0.2 . 1 . . . . A 72 ASP CA . 30471 1
566 . 1 1 72 72 ASP CB C 13 41.9 0.2 . 1 . . . . A 72 ASP CB . 30471 1
567 . 1 1 72 72 ASP N N 15 128.2 0.1 . 1 . . . . A 72 ASP N . 30471 1
568 . 1 1 73 73 GLY HA2 H 1 4.45 0.02 . 2 . . . . A 73 GLY HA2 . 30471 1
569 . 1 1 73 73 GLY HA3 H 1 3.20 0.02 . 2 . . . . A 73 GLY HA3 . 30471 1
570 . 1 1 73 73 GLY C C 13 174.6 0.02 . 1 . . . . A 73 GLY C . 30471 1
571 . 1 1 73 73 GLY CA C 13 46.2 0.02 . 1 . . . . A 73 GLY CA . 30471 1
572 . 1 1 74 74 ILE H H 1 8.21 0.02 . 1 . . . . A 74 ILE H . 30471 1
573 . 1 1 74 74 ILE HA H 1 4.01 0.02 . 1 . . . . A 74 ILE HA . 30471 1
574 . 1 1 74 74 ILE HB H 1 1.6 0.02 . 1 . . . . A 74 ILE HB . 30471 1
575 . 1 1 74 74 ILE HG12 H 1 1.21 0.02 . 2 . . . . A 74 ILE HG12 . 30471 1
576 . 1 1 74 74 ILE HG13 H 1 1.21 0.02 . 2 . . . . A 74 ILE HG13 . 30471 1
577 . 1 1 74 74 ILE HG21 H 1 0.72 0.02 . 1 . . . . A 74 ILE HG21 . 30471 1
578 . 1 1 74 74 ILE HG22 H 1 0.72 0.02 . 1 . . . . A 74 ILE HG22 . 30471 1
579 . 1 1 74 74 ILE HG23 H 1 0.72 0.02 . 1 . . . . A 74 ILE HG23 . 30471 1
580 . 1 1 74 74 ILE HD11 H 1 0.20 0.02 . 1 . . . . A 74 ILE HD11 . 30471 1
581 . 1 1 74 74 ILE HD12 H 1 0.20 0.02 . 1 . . . . A 74 ILE HD12 . 30471 1
582 . 1 1 74 74 ILE HD13 H 1 0.20 0.02 . 1 . . . . A 74 ILE HD13 . 30471 1
583 . 1 1 74 74 ILE C C 13 173.8 0.2 . 1 . . . . A 74 ILE C . 30471 1
584 . 1 1 74 74 ILE CA C 13 60.9 0.2 . 1 . . . . A 74 ILE CA . 30471 1
585 . 1 1 74 74 ILE CB C 13 39.6 0.2 . 1 . . . . A 74 ILE CB . 30471 1
586 . 1 1 74 74 ILE N N 15 124.6 0.1 . 1 . . . . A 74 ILE N . 30471 1
587 . 1 1 75 75 HIS H H 1 8.87 0.02 . 1 . . . . A 75 HIS H . 30471 1
588 . 1 1 75 75 HIS HA H 1 5.14 0.02 . 1 . . . . A 75 HIS HA . 30471 1
589 . 1 1 75 75 HIS HB2 H 1 3.33 0.02 . 2 . . . . A 75 HIS HB2 . 30471 1
590 . 1 1 75 75 HIS HB3 H 1 3.55 0.02 . 2 . . . . A 75 HIS HB3 . 30471 1
591 . 1 1 75 75 HIS HD1 H 1 7.03 0.02 . 1 . . . . A 75 HIS HD1 . 30471 1
592 . 1 1 75 75 HIS HD2 H 1 7.03 0.02 . 1 . . . . A 75 HIS HD2 . 30471 1
593 . 1 1 75 75 HIS C C 13 174.6 0.2 . 1 . . . . A 75 HIS C . 30471 1
594 . 1 1 75 75 HIS CA C 13 57.8 0.2 . 1 . . . . A 75 HIS CA . 30471 1
595 . 1 1 75 75 HIS CB C 13 32.3 0.2 . 1 . . . . A 75 HIS CB . 30471 1
596 . 1 1 75 75 HIS N N 15 124.3 0.1 . 1 . . . . A 75 HIS N . 30471 1
597 . 1 1 76 76 TYR H H 1 9.23 0.02 . 1 . . . . A 76 TYR H . 30471 1
598 . 1 1 76 76 TYR HA H 1 5.31 0.02 . 1 . . . . A 76 TYR HA . 30471 1
599 . 1 1 76 76 TYR HB2 H 1 3.20 0.02 . 2 . . . . A 76 TYR HB2 . 30471 1
600 . 1 1 76 76 TYR HB3 H 1 3.20 0.02 . 2 . . . . A 76 TYR HB3 . 30471 1
601 . 1 1 76 76 TYR HD1 H 1 7.02 0.02 . 3 . . . . A 76 TYR HD1 . 30471 1
602 . 1 1 76 76 TYR HD2 H 1 7.02 0.02 . 3 . . . . A 76 TYR HD2 . 30471 1
603 . 1 1 76 76 TYR C C 13 174.8 0.2 . 1 . . . . A 76 TYR C . 30471 1
604 . 1 1 76 76 TYR CA C 13 57.5 0.2 . 1 . . . . A 76 TYR CA . 30471 1
605 . 1 1 76 76 TYR CB C 13 41.6 0.2 . 1 . . . . A 76 TYR CB . 30471 1
606 . 1 1 76 76 TYR N N 15 120.7 0.1 . 1 . . . . A 76 TYR N . 30471 1
607 . 1 1 77 77 LEU H H 1 8.05 0.02 . 1 . . . . A 77 LEU H . 30471 1
608 . 1 1 77 77 LEU HA H 1 4.85 0.02 . 1 . . . . A 77 LEU HA . 30471 1
609 . 1 1 77 77 LEU HB2 H 1 1.44 0.02 . 2 . . . . A 77 LEU HB2 . 30471 1
610 . 1 1 77 77 LEU HB3 H 1 1.44 0.02 . 2 . . . . A 77 LEU HB3 . 30471 1
611 . 1 1 77 77 LEU HD11 H 1 0.14 0.02 . 2 . . . . A 77 LEU HD11 . 30471 1
612 . 1 1 77 77 LEU HD12 H 1 0.14 0.02 . 2 . . . . A 77 LEU HD12 . 30471 1
613 . 1 1 77 77 LEU HD13 H 1 0.14 0.02 . 2 . . . . A 77 LEU HD13 . 30471 1
614 . 1 1 77 77 LEU HD21 H 1 -0.8 0.02 . 2 . . . . A 77 LEU HD21 . 30471 1
615 . 1 1 77 77 LEU HD22 H 1 -0.8 0.02 . 2 . . . . A 77 LEU HD22 . 30471 1
616 . 1 1 77 77 LEU HD23 H 1 -0.8 0.02 . 2 . . . . A 77 LEU HD23 . 30471 1
617 . 1 1 77 77 LEU C C 13 174.0 0.2 . 1 . . . . A 77 LEU C . 30471 1
618 . 1 1 77 77 LEU CA C 13 53.5 0.2 . 1 . . . . A 77 LEU CA . 30471 1
619 . 1 1 77 77 LEU CB C 13 42.8 0.2 . 1 . . . . A 77 LEU CB . 30471 1
620 . 1 1 77 77 LEU N N 15 123.0 0.1 . 1 . . . . A 77 LEU N . 30471 1
621 . 1 1 78 78 ASP H H 1 8.95 0.02 . 1 . . . . A 78 ASP H . 30471 1
622 . 1 1 78 78 ASP HA H 1 4.78 0.02 . 1 . . . . A 78 ASP HA . 30471 1
623 . 1 1 78 78 ASP HB2 H 1 2.67 0.02 . 2 . . . . A 78 ASP HB2 . 30471 1
624 . 1 1 78 78 ASP HB3 H 1 2.32 0.02 . 2 . . . . A 78 ASP HB3 . 30471 1
625 . 1 1 78 78 ASP C C 13 174.7 0.2 . 1 . . . . A 78 ASP C . 30471 1
626 . 1 1 78 78 ASP CA C 13 52.5 0.2 . 1 . . . . A 78 ASP CA . 30471 1
627 . 1 1 78 78 ASP CB C 13 43.0 0.2 . 1 . . . . A 78 ASP CB . 30471 1
628 . 1 1 78 78 ASP N N 15 126.0 0.1 . 1 . . . . A 78 ASP N . 30471 1
629 . 1 1 79 79 ILE H H 1 9.27 0.02 . 1 . . . . A 79 ILE H . 30471 1
630 . 1 1 79 79 ILE HA H 1 4.62 0.02 . 1 . . . . A 79 ILE HA . 30471 1
631 . 1 1 79 79 ILE HB H 1 1.74 0.02 . 1 . . . . A 79 ILE HB . 30471 1
632 . 1 1 79 79 ILE HG12 H 1 1.07 0.02 . 2 . . . . A 79 ILE HG12 . 30471 1
633 . 1 1 79 79 ILE HG13 H 1 1.07 0.02 . 2 . . . . A 79 ILE HG13 . 30471 1
634 . 1 1 79 79 ILE HG21 H 1 0.80 0.02 . 1 . . . . A 79 ILE HG21 . 30471 1
635 . 1 1 79 79 ILE HG22 H 1 0.80 0.02 . 1 . . . . A 79 ILE HG22 . 30471 1
636 . 1 1 79 79 ILE HG23 H 1 0.80 0.02 . 1 . . . . A 79 ILE HG23 . 30471 1
637 . 1 1 79 79 ILE HD11 H 1 0.61 0.02 . 1 . . . . A 79 ILE HD11 . 30471 1
638 . 1 1 79 79 ILE HD12 H 1 0.61 0.02 . 1 . . . . A 79 ILE HD12 . 30471 1
639 . 1 1 79 79 ILE HD13 H 1 0.61 0.02 . 1 . . . . A 79 ILE HD13 . 30471 1
640 . 1 1 79 79 ILE C C 13 174.8 0.2 . 1 . . . . A 79 ILE C . 30471 1
641 . 1 1 79 79 ILE CA C 13 61.0 0.2 . 1 . . . . A 79 ILE CA . 30471 1
642 . 1 1 79 79 ILE CB C 13 38.9 0.2 . 1 . . . . A 79 ILE CB . 30471 1
643 . 1 1 79 79 ILE N N 15 122.8 0.1 . 1 . . . . A 79 ILE N . 30471 1
644 . 1 1 80 80 VAL H H 1 8.79 0.02 . 1 . . . . A 80 VAL H . 30471 1
645 . 1 1 80 80 VAL HA H 1 4.11 0.02 . 1 . . . . A 80 VAL HA . 30471 1
646 . 1 1 80 80 VAL HB H 1 1.93 0.02 . 1 . . . . A 80 VAL HB . 30471 1
647 . 1 1 80 80 VAL HG11 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG11 . 30471 1
648 . 1 1 80 80 VAL HG12 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG12 . 30471 1
649 . 1 1 80 80 VAL HG13 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG13 . 30471 1
650 . 1 1 80 80 VAL HG21 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG21 . 30471 1
651 . 1 1 80 80 VAL HG22 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG22 . 30471 1
652 . 1 1 80 80 VAL HG23 H 1 0.84 0.02 . 2 . . . . A 80 VAL HG23 . 30471 1
653 . 1 1 80 80 VAL C C 13 175.2 0.2 . 1 . . . . A 80 VAL C . 30471 1
654 . 1 1 80 80 VAL CA C 13 61.6 0.2 . 1 . . . . A 80 VAL CA . 30471 1
655 . 1 1 80 80 VAL CB C 13 33.1 0.2 . 1 . . . . A 80 VAL CB . 30471 1
656 . 1 1 80 80 VAL N N 15 126.4 0.1 . 1 . . . . A 80 VAL N . 30471 1
657 . 1 1 81 81 ASP H H 1 8.05 0.02 . 1 . . . . A 81 ASP H . 30471 1
658 . 1 1 81 81 ASP HA H 1 3.91 0.02 . 1 . . . . A 81 ASP HA . 30471 1
659 . 1 1 81 81 ASP HB2 H 1 2.25 0.02 . 2 . . . . A 81 ASP HB2 . 30471 1
660 . 1 1 81 81 ASP HB3 H 1 2.25 0.02 . 2 . . . . A 81 ASP HB3 . 30471 1
661 . 1 1 81 81 ASP C C 13 175.4 0.2 . 1 . . . . A 81 ASP C . 30471 1
662 . 1 1 81 81 ASP CA C 13 53.8 0.2 . 1 . . . . A 81 ASP CA . 30471 1
663 . 1 1 81 81 ASP CB C 13 38.7 0.2 . 1 . . . . A 81 ASP CB . 30471 1
664 . 1 1 81 81 ASP N N 15 122.3 0.1 . 1 . . . . A 81 ASP N . 30471 1
665 . 1 1 82 82 CYS H H 1 7.95 0.02 . 1 . . . . A 82 CYS H . 30471 1
666 . 1 1 82 82 CYS HA H 1 4.00 0.02 . 1 . . . . A 82 CYS HA . 30471 1
667 . 1 1 82 82 CYS HB2 H 1 2.75 0.02 . 2 . . . . A 82 CYS HB2 . 30471 1
668 . 1 1 82 82 CYS HB3 H 1 2.75 0.02 . 2 . . . . A 82 CYS HB3 . 30471 1
669 . 1 1 82 82 CYS C C 13 175.7 0.2 . 1 . . . . A 82 CYS C . 30471 1
670 . 1 1 82 82 CYS CA C 13 61.3 0.2 . 1 . . . . A 82 CYS CA . 30471 1
671 . 1 1 82 82 CYS CB C 13 28.7 0.2 . 1 . . . . A 82 CYS CB . 30471 1
672 . 1 1 82 82 CYS N N 15 113.9 0.1 . 1 . . . . A 82 CYS N . 30471 1
673 . 1 1 83 83 LYS H H 1 9.32 0.02 . 1 . . . . A 83 LYS H . 30471 1
674 . 1 1 83 83 LYS HA H 1 4.62 0.02 . 1 . . . . A 83 LYS HA . 30471 1
675 . 1 1 83 83 LYS HB2 H 1 1.74 0.02 . 2 . . . . A 83 LYS HB2 . 30471 1
676 . 1 1 83 83 LYS HB3 H 1 1.74 0.02 . 2 . . . . A 83 LYS HB3 . 30471 1
677 . 1 1 83 83 LYS HG2 H 1 1.54 0.02 . 2 . . . . A 83 LYS HG2 . 30471 1
678 . 1 1 83 83 LYS HG3 H 1 1.54 0.02 . 2 . . . . A 83 LYS HG3 . 30471 1
679 . 1 1 83 83 LYS HD2 H 1 1.64 0.02 . 2 . . . . A 83 LYS HD2 . 30471 1
680 . 1 1 83 83 LYS HD3 H 1 1.64 0.02 . 2 . . . . A 83 LYS HD3 . 30471 1
681 . 1 1 83 83 LYS HE2 H 1 3.00 0.02 . 2 . . . . A 83 LYS HE2 . 30471 1
682 . 1 1 83 83 LYS HE3 H 1 3.00 0.02 . 2 . . . . A 83 LYS HE3 . 30471 1
683 . 1 1 83 83 LYS C C 13 178.3 0.2 . 1 . . . . A 83 LYS C . 30471 1
684 . 1 1 83 83 LYS CA C 13 52.7 0.2 . 1 . . . . A 83 LYS CA . 30471 1
685 . 1 1 83 83 LYS CB C 13 34.9 0.2 . 1 . . . . A 83 LYS CB . 30471 1
686 . 1 1 83 83 LYS N N 15 122.8 0.1 . 1 . . . . A 83 LYS N . 30471 1
687 . 1 1 84 84 SER H H 1 9.36 0.02 . 1 . . . . A 84 SER H . 30471 1
688 . 1 1 84 84 SER HA H 1 4.76 0.02 . 1 . . . . A 84 SER HA . 30471 1
689 . 1 1 84 84 SER HB2 H 1 3.80 0.02 . 2 . . . . A 84 SER HB2 . 30471 1
690 . 1 1 84 84 SER HB3 H 1 3.80 0.02 . 2 . . . . A 84 SER HB3 . 30471 1
691 . 1 1 84 84 SER C C 13 176.1 0.2 . 1 . . . . A 84 SER C . 30471 1
692 . 1 1 84 84 SER CA C 13 62.1 0.2 . 1 . . . . A 84 SER CA . 30471 1
693 . 1 1 84 84 SER CB C 13 62.1 0.2 . 1 . . . . A 84 SER CB . 30471 1
694 . 1 1 84 84 SER N N 15 117.9 0.1 . 1 . . . . A 84 SER N . 30471 1
695 . 1 1 85 85 TYR H H 1 6.49 0.02 . 1 . . . . A 85 TYR H . 30471 1
696 . 1 1 85 85 TYR HA H 1 4.70 0.02 . 1 . . . . A 85 TYR HA . 30471 1
697 . 1 1 85 85 TYR HB2 H 1 2.92 0.02 . 2 . . . . A 85 TYR HB2 . 30471 1
698 . 1 1 85 85 TYR HB3 H 1 3.42 0.02 . 2 . . . . A 85 TYR HB3 . 30471 1
699 . 1 1 85 85 TYR C C 13 176.2 0.2 . 1 . . . . A 85 TYR C . 30471 1
700 . 1 1 85 85 TYR CA C 13 56.9 0.2 . 1 . . . . A 85 TYR CA . 30471 1
701 . 1 1 85 85 TYR CB C 13 36.4 0.2 . 1 . . . . A 85 TYR CB . 30471 1
702 . 1 1 85 85 TYR N N 15 114.6 0.1 . 1 . . . . A 85 TYR N . 30471 1
703 . 1 1 86 86 ASP H H 1 8.10 0.02 . 1 . . . . A 86 ASP H . 30471 1
704 . 1 1 86 86 ASP HA H 1 4.68 0.02 . 1 . . . . A 86 ASP HA . 30471 1
705 . 1 1 86 86 ASP HB2 H 1 2.74 0.02 . 2 . . . . A 86 ASP HB2 . 30471 1
706 . 1 1 86 86 ASP HB3 H 1 2.74 0.02 . 2 . . . . A 86 ASP HB3 . 30471 1
707 . 1 1 86 86 ASP C C 13 173.9 0.2 . 1 . . . . A 86 ASP C . 30471 1
708 . 1 1 86 86 ASP CA C 13 56.2 0.2 . 1 . . . . A 86 ASP CA . 30471 1
709 . 1 1 86 86 ASP CB C 13 41.3 0.2 . 1 . . . . A 86 ASP CB . 30471 1
710 . 1 1 86 86 ASP N N 15 123.3 0.1 . 1 . . . . A 86 ASP N . 30471 1
711 . 1 1 87 87 THR H H 1 7.00 0.02 . 1 . . . . A 87 THR H . 30471 1
712 . 1 1 87 87 THR HA H 1 3.84 0.02 . 1 . . . . A 87 THR HA . 30471 1
713 . 1 1 87 87 THR HB H 1 4.19 0.02 . 1 . . . . A 87 THR HB . 30471 1
714 . 1 1 87 87 THR HG21 H 1 1.48 0.02 . 1 . . . . A 87 THR HG21 . 30471 1
715 . 1 1 87 87 THR HG22 H 1 1.48 0.02 . 1 . . . . A 87 THR HG22 . 30471 1
716 . 1 1 87 87 THR HG23 H 1 1.48 0.02 . 1 . . . . A 87 THR HG23 . 30471 1
717 . 1 1 87 87 THR C C 13 175.0 0.2 . 1 . . . . A 87 THR C . 30471 1
718 . 1 1 87 87 THR CA C 13 64.3 0.2 . 1 . . . . A 87 THR CA . 30471 1
719 . 1 1 87 87 THR CB C 13 70.7 0.2 . 1 . . . . A 87 THR CB . 30471 1
720 . 1 1 87 87 THR N N 15 112.1 0.1 . 1 . . . . A 87 THR N . 30471 1
721 . 1 1 88 88 GLY H H 1 9.23 0.02 . 1 . . . . A 88 GLY H . 30471 1
722 . 1 1 88 88 GLY HA2 H 1 5.30 0.02 . 2 . . . . A 88 GLY HA2 . 30471 1
723 . 1 1 88 88 GLY HA3 H 1 3.70 0.02 . 2 . . . . A 88 GLY HA3 . 30471 1
724 . 1 1 88 88 GLY C C 13 172.5 0.2 . 1 . . . . A 88 GLY C . 30471 1
725 . 1 1 88 88 GLY CA C 13 46.0 0.2 . 1 . . . . A 88 GLY CA . 30471 1
726 . 1 1 88 88 GLY N N 15 114.9 0.1 . 1 . . . . A 88 GLY N . 30471 1
727 . 1 1 89 89 GLU H H 1 8.56 0.02 . 1 . . . . A 89 GLU H . 30471 1
728 . 1 1 89 89 GLU HA H 1 4.96 0.02 . 1 . . . . A 89 GLU HA . 30471 1
729 . 1 1 89 89 GLU HB2 H 1 1.87 0.02 . 2 . . . . A 89 GLU HB2 . 30471 1
730 . 1 1 89 89 GLU HB3 H 1 1.87 0.02 . 2 . . . . A 89 GLU HB3 . 30471 1
731 . 1 1 89 89 GLU HG2 H 1 2.11 0.02 . 2 . . . . A 89 GLU HG2 . 30471 1
732 . 1 1 89 89 GLU HG3 H 1 2.11 0.02 . 2 . . . . A 89 GLU HG3 . 30471 1
733 . 1 1 89 89 GLU C C 13 175.0 0.2 . 1 . . . . A 89 GLU C . 30471 1
734 . 1 1 89 89 GLU CA C 13 55.2 0.2 . 1 . . . . A 89 GLU CA . 30471 1
735 . 1 1 89 89 GLU CB C 13 34.4 0.2 . 1 . . . . A 89 GLU CB . 30471 1
736 . 1 1 89 89 GLU N N 15 125.0 0.1 . 1 . . . . A 89 GLU N . 30471 1
737 . 1 1 90 90 VAL H H 1 9.18 0.02 . 1 . . . . A 90 VAL H . 30471 1
738 . 1 1 90 90 VAL HA H 1 4.90 0.02 . 1 . . . . A 90 VAL HA . 30471 1
739 . 1 1 90 90 VAL HB H 1 1.40 0.02 . 1 . . . . A 90 VAL HB . 30471 1
740 . 1 1 90 90 VAL HG11 H 1 0.61 0.02 . 2 . . . . A 90 VAL HG11 . 30471 1
741 . 1 1 90 90 VAL HG12 H 1 0.61 0.02 . 2 . . . . A 90 VAL HG12 . 30471 1
742 . 1 1 90 90 VAL HG13 H 1 0.61 0.02 . 2 . . . . A 90 VAL HG13 . 30471 1
743 . 1 1 90 90 VAL HG21 H 1 0.31 0.02 . 2 . . . . A 90 VAL HG21 . 30471 1
744 . 1 1 90 90 VAL HG22 H 1 0.31 0.02 . 2 . . . . A 90 VAL HG22 . 30471 1
745 . 1 1 90 90 VAL HG23 H 1 0.31 0.02 . 2 . . . . A 90 VAL HG23 . 30471 1
746 . 1 1 90 90 VAL C C 13 173.7 0.2 . 1 . . . . A 90 VAL C . 30471 1
747 . 1 1 90 90 VAL CA C 13 61.3 0.2 . 1 . . . . A 90 VAL CA . 30471 1
748 . 1 1 90 90 VAL CB C 13 33.1 0.2 . 1 . . . . A 90 VAL CB . 30471 1
749 . 1 1 90 90 VAL N N 15 129.5 0.1 . 1 . . . . A 90 VAL N . 30471 1
750 . 1 1 91 91 LYS H H 1 9.08 0.02 . 1 . . . . A 91 LYS H . 30471 1
751 . 1 1 91 91 LYS HA H 1 5.44 0.02 . 1 . . . . A 91 LYS HA . 30471 1
752 . 1 1 91 91 LYS HB2 H 1 1.80 0.02 . 2 . . . . A 91 LYS HB2 . 30471 1
753 . 1 1 91 91 LYS HB3 H 1 1.80 0.02 . 2 . . . . A 91 LYS HB3 . 30471 1
754 . 1 1 91 91 LYS HG2 H 1 1.44 0.02 . 2 . . . . A 91 LYS HG2 . 30471 1
755 . 1 1 91 91 LYS HG3 H 1 1.44 0.02 . 2 . . . . A 91 LYS HG3 . 30471 1
756 . 1 1 91 91 LYS HD2 H 1 1.72 0.02 . 2 . . . . A 91 LYS HD2 . 30471 1
757 . 1 1 91 91 LYS HD3 H 1 1.72 0.02 . 2 . . . . A 91 LYS HD3 . 30471 1
758 . 1 1 91 91 LYS HE2 H 1 3.00 0.02 . 2 . . . . A 91 LYS HE2 . 30471 1
759 . 1 1 91 91 LYS HE3 H 1 3.00 0.02 . 2 . . . . A 91 LYS HE3 . 30471 1
760 . 1 1 91 91 LYS C C 13 173.7 0.2 . 1 . . . . A 91 LYS C . 30471 1
761 . 1 1 91 91 LYS CA C 13 53.3 0.2 . 1 . . . . A 91 LYS CA . 30471 1
762 . 1 1 91 91 LYS CB C 13 37.1 0.2 . 1 . . . . A 91 LYS CB . 30471 1
763 . 1 1 91 91 LYS N N 15 128.6 0.1 . 1 . . . . A 91 LYS N . 30471 1
764 . 1 1 92 92 VAL H H 1 8.94 0.02 . 1 . . . . A 92 VAL H . 30471 1
765 . 1 1 92 92 VAL HA H 1 5.13 0.02 . 1 . . . . A 92 VAL HA . 30471 1
766 . 1 1 92 92 VAL HB H 1 2.20 0.02 . 1 . . . . A 92 VAL HB . 30471 1
767 . 1 1 92 92 VAL HG11 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG11 . 30471 1
768 . 1 1 92 92 VAL HG12 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG12 . 30471 1
769 . 1 1 92 92 VAL HG13 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG13 . 30471 1
770 . 1 1 92 92 VAL HG21 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG21 . 30471 1
771 . 1 1 92 92 VAL HG22 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG22 . 30471 1
772 . 1 1 92 92 VAL HG23 H 1 1.24 0.02 . 2 . . . . A 92 VAL HG23 . 30471 1
773 . 1 1 92 92 VAL C C 13 173.5 0.2 . 1 . . . . A 92 VAL C . 30471 1
774 . 1 1 92 92 VAL CA C 13 58.1 0.2 . 1 . . . . A 92 VAL CA . 30471 1
775 . 1 1 92 92 VAL CB C 13 35.1 0.2 . 1 . . . . A 92 VAL CB . 30471 1
776 . 1 1 92 92 VAL N N 15 125.7 0.1 . 1 . . . . A 92 VAL N . 30471 1
777 . 1 1 93 93 THR H H 1 8.78 0.02 . 1 . . . . A 93 THR H . 30471 1
778 . 1 1 93 93 THR HA H 1 5.24 0.02 . 1 . . . . A 93 THR HA . 30471 1
779 . 1 1 93 93 THR HB H 1 4.06 0.02 . 1 . . . . A 93 THR HB . 30471 1
780 . 1 1 93 93 THR HG21 H 1 1.01 0.02 . 1 . . . . A 93 THR HG21 . 30471 1
781 . 1 1 93 93 THR HG22 H 1 1.01 0.02 . 1 . . . . A 93 THR HG22 . 30471 1
782 . 1 1 93 93 THR HG23 H 1 1.01 0.02 . 1 . . . . A 93 THR HG23 . 30471 1
783 . 1 1 93 93 THR C C 13 172.8 0.2 . 1 . . . . A 93 THR C . 30471 1
784 . 1 1 93 93 THR CA C 13 59.1 0.2 . 1 . . . . A 93 THR CA . 30471 1
785 . 1 1 93 93 THR CB C 13 71.8 0.2 . 1 . . . . A 93 THR CB . 30471 1
786 . 1 1 93 93 THR N N 15 116.6 0.1 . 1 . . . . A 93 THR N . 30471 1
787 . 1 1 94 94 ALA H H 1 8.71 0.02 . 1 . . . . A 94 ALA H . 30471 1
788 . 1 1 94 94 ALA HA H 1 5.20 0.02 . 1 . . . . A 94 ALA HA . 30471 1
789 . 1 1 94 94 ALA HB1 H 1 0.91 0.02 . 1 . . . . A 94 ALA HB1 . 30471 1
790 . 1 1 94 94 ALA HB2 H 1 0.91 0.02 . 1 . . . . A 94 ALA HB2 . 30471 1
791 . 1 1 94 94 ALA HB3 H 1 0.91 0.02 . 1 . . . . A 94 ALA HB3 . 30471 1
792 . 1 1 94 94 ALA C C 13 175.1 0.2 . 1 . . . . A 94 ALA C . 30471 1
793 . 1 1 94 94 ALA CA C 13 49.7 0.2 . 1 . . . . A 94 ALA CA . 30471 1
794 . 1 1 94 94 ALA CB C 13 21.9 0.2 . 1 . . . . A 94 ALA CB . 30471 1
795 . 1 1 94 94 ALA N N 15 123.0 0.1 . 1 . . . . A 94 ALA N . 30471 1
796 . 1 1 95 95 GLU H H 1 8.51 0.02 . 1 . . . . A 95 GLU H . 30471 1
797 . 1 1 95 95 GLU HA H 1 5.39 0.02 . 1 . . . . A 95 GLU HA . 30471 1
798 . 1 1 95 95 GLU HB2 H 1 1.88 0.02 . 2 . . . . A 95 GLU HB2 . 30471 1
799 . 1 1 95 95 GLU HB3 H 1 1.88 0.02 . 2 . . . . A 95 GLU HB3 . 30471 1
800 . 1 1 95 95 GLU HG2 H 1 2.12 0.02 . 2 . . . . A 95 GLU HG2 . 30471 1
801 . 1 1 95 95 GLU HG3 H 1 2.12 0.02 . 2 . . . . A 95 GLU HG3 . 30471 1
802 . 1 1 95 95 GLU C C 13 174.6 0.2 . 1 . . . . A 95 GLU C . 30471 1
803 . 1 1 95 95 GLU CA C 13 54.6 0.2 . 1 . . . . A 95 GLU CA . 30471 1
804 . 1 1 95 95 GLU CB C 13 34.9 0.2 . 1 . . . . A 95 GLU CB . 30471 1
805 . 1 1 95 95 GLU N N 15 120.8 0.1 . 1 . . . . A 95 GLU N . 30471 1
806 . 1 1 96 96 ASN H H 1 9.21 0.02 . 1 . . . . A 96 ASN H . 30471 1
807 . 1 1 96 96 ASN HA H 1 4.81 0.02 . 1 . . . . A 96 ASN HA . 30471 1
808 . 1 1 96 96 ASN HB2 H 1 3.13 0.02 . 2 . . . . A 96 ASN HB2 . 30471 1
809 . 1 1 96 96 ASN HB3 H 1 3.13 0.02 . 2 . . . . A 96 ASN HB3 . 30471 1
810 . 1 1 96 96 ASN C C 13 173.7 0.2 . 1 . . . . A 96 ASN C . 30471 1
811 . 1 1 96 96 ASN CA C 13 51.9 0.2 . 1 . . . . A 96 ASN CA . 30471 1
812 . 1 1 96 96 ASN CB C 13 39.6 0.2 . 1 . . . . A 96 ASN CB . 30471 1
813 . 1 1 96 96 ASN N N 15 126.2 0.1 . 1 . . . . A 96 ASN N . 30471 1
814 . 1 1 97 97 PRO HA H 1 4.31 0.02 . 1 . . . . A 97 PRO HA . 30471 1
815 . 1 1 97 97 PRO HB2 H 1 1.81 0.02 . 2 . . . . A 97 PRO HB2 . 30471 1
816 . 1 1 97 97 PRO HB3 H 1 1.81 0.02 . 2 . . . . A 97 PRO HB3 . 30471 1
817 . 1 1 97 97 PRO HG2 H 1 2.46 0.02 . 2 . . . . A 97 PRO HG2 . 30471 1
818 . 1 1 97 97 PRO HG3 H 1 2.46 0.02 . 2 . . . . A 97 PRO HG3 . 30471 1
819 . 1 1 97 97 PRO HD2 H 1 3.81 0.02 . 2 . . . . A 97 PRO HD2 . 30471 1
820 . 1 1 97 97 PRO HD3 H 1 3.81 0.02 . 2 . . . . A 97 PRO HD3 . 30471 1
821 . 1 1 97 97 PRO C C 13 176.8 0.2 . 1 . . . . A 97 PRO C . 30471 1
822 . 1 1 97 97 PRO CA C 13 65.9 0.2 . 1 . . . . A 97 PRO CA . 30471 1
823 . 1 1 97 97 PRO CB C 13 31.5 0.2 . 1 . . . . A 97 PRO CB . 30471 1
824 . 1 1 98 98 GLU H H 1 7.72 0.02 . 1 . . . . A 98 GLU H . 30471 1
825 . 1 1 98 98 GLU HA H 1 4.37 0.02 . 1 . . . . A 98 GLU HA . 30471 1
826 . 1 1 98 98 GLU HB2 H 1 1.92 0.02 . 2 . . . . A 98 GLU HB2 . 30471 1
827 . 1 1 98 98 GLU HB3 H 1 1.92 0.02 . 2 . . . . A 98 GLU HB3 . 30471 1
828 . 1 1 98 98 GLU HG2 H 1 2.22 0.02 . 2 . . . . A 98 GLU HG2 . 30471 1
829 . 1 1 98 98 GLU HG3 H 1 2.22 0.02 . 2 . . . . A 98 GLU HG3 . 30471 1
830 . 1 1 98 98 GLU C C 13 176.8 0.2 . 1 . . . . A 98 GLU C . 30471 1
831 . 1 1 98 98 GLU CA C 13 55.1 0.2 . 1 . . . . A 98 GLU CA . 30471 1
832 . 1 1 98 98 GLU CB C 13 30.4 0.2 . 1 . . . . A 98 GLU CB . 30471 1
833 . 1 1 98 98 GLU N N 15 112.0 0.1 . 1 . . . . A 98 GLU N . 30471 1
834 . 1 1 99 99 GLY H H 1 7.88 0.02 . 1 . . . . A 99 GLY H . 30471 1
835 . 1 1 99 99 GLY HA2 H 1 4.00 0.02 . 2 . . . . A 99 GLY HA2 . 30471 1
836 . 1 1 99 99 GLY HA3 H 1 4.33 0.02 . 2 . . . . A 99 GLY HA3 . 30471 1
837 . 1 1 99 99 GLY C C 13 171.4 0.2 . 1 . . . . A 99 GLY C . 30471 1
838 . 1 1 99 99 GLY CA C 13 45.9 0.2 . 1 . . . . A 99 GLY CA . 30471 1
839 . 1 1 99 99 GLY N N 15 106.4 0.1 . 1 . . . . A 99 GLY N . 30471 1
840 . 1 1 100 100 VAL H H 1 8.31 0.02 . 1 . . . . A 100 VAL H . 30471 1
841 . 1 1 100 100 VAL HA H 1 5.23 0.02 . 1 . . . . A 100 VAL HA . 30471 1
842 . 1 1 100 100 VAL HB H 1 1.95 0.02 . 1 . . . . A 100 VAL HB . 30471 1
843 . 1 1 100 100 VAL HG11 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG11 . 30471 1
844 . 1 1 100 100 VAL HG12 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG12 . 30471 1
845 . 1 1 100 100 VAL HG13 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG13 . 30471 1
846 . 1 1 100 100 VAL HG21 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG21 . 30471 1
847 . 1 1 100 100 VAL HG22 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG22 . 30471 1
848 . 1 1 100 100 VAL HG23 H 1 0.85 0.02 . 2 . . . . A 100 VAL HG23 . 30471 1
849 . 1 1 100 100 VAL C C 13 174.3 0.2 . 1 . . . . A 100 VAL C . 30471 1
850 . 1 1 100 100 VAL CA C 13 59.7 0.2 . 1 . . . . A 100 VAL CA . 30471 1
851 . 1 1 100 100 VAL CB C 13 35.6 0.2 . 1 . . . . A 100 VAL CB . 30471 1
852 . 1 1 100 100 VAL N N 15 115.7 0.1 . 1 . . . . A 100 VAL N . 30471 1
853 . 1 1 101 101 ILE H H 1 8.69 0.02 . 1 . . . . A 101 ILE H . 30471 1
854 . 1 1 101 101 ILE HA H 1 4.73 0.02 . 1 . . . . A 101 ILE HA . 30471 1
855 . 1 1 101 101 ILE HB H 1 1.75 0.02 . 1 . . . . A 101 ILE HB . 30471 1
856 . 1 1 101 101 ILE HG12 H 1 1.33 0.02 . 2 . . . . A 101 ILE HG12 . 30471 1
857 . 1 1 101 101 ILE HG13 H 1 1.33 0.02 . 2 . . . . A 101 ILE HG13 . 30471 1
858 . 1 1 101 101 ILE HG21 H 1 0.83 0.02 . 1 . . . . A 101 ILE HG21 . 30471 1
859 . 1 1 101 101 ILE HG22 H 1 0.83 0.02 . 1 . . . . A 101 ILE HG22 . 30471 1
860 . 1 1 101 101 ILE HG23 H 1 0.83 0.02 . 1 . . . . A 101 ILE HG23 . 30471 1
861 . 1 1 101 101 ILE HD11 H 1 0.78 0.02 . 1 . . . . A 101 ILE HD11 . 30471 1
862 . 1 1 101 101 ILE HD12 H 1 0.78 0.02 . 1 . . . . A 101 ILE HD12 . 30471 1
863 . 1 1 101 101 ILE HD13 H 1 0.78 0.02 . 1 . . . . A 101 ILE HD13 . 30471 1
864 . 1 1 101 101 ILE C C 13 171.8 0.2 . 1 . . . . A 101 ILE C . 30471 1
865 . 1 1 101 101 ILE CA C 13 59.3 0.2 . 1 . . . . A 101 ILE CA . 30471 1
866 . 1 1 101 101 ILE CB C 13 42.1 0.2 . 1 . . . . A 101 ILE CB . 30471 1
867 . 1 1 101 101 ILE N N 15 125.2 0.1 . 1 . . . . A 101 ILE N . 30471 1
868 . 1 1 102 102 GLU H H 1 8.12 0.02 . 1 . . . . A 102 GLU H . 30471 1
869 . 1 1 102 102 GLU HA H 1 5.60 0.02 . 1 . . . . A 102 GLU HA . 30471 1
870 . 1 1 102 102 GLU HB2 H 1 1.88 0.02 . 2 . . . . A 102 GLU HB2 . 30471 1
871 . 1 1 102 102 GLU HB3 H 1 1.88 0.02 . 2 . . . . A 102 GLU HB3 . 30471 1
872 . 1 1 102 102 GLU HG2 H 1 2.11 0.02 . 2 . . . . A 102 GLU HG2 . 30471 1
873 . 1 1 102 102 GLU HG3 H 1 2.11 0.02 . 2 . . . . A 102 GLU HG3 . 30471 1
874 . 1 1 102 102 GLU C C 13 174.8 0.2 . 1 . . . . A 102 GLU C . 30471 1
875 . 1 1 102 102 GLU CA C 13 53.7 0.2 . 1 . . . . A 102 GLU CA . 30471 1
876 . 1 1 102 102 GLU CB C 13 34.8 0.2 . 1 . . . . A 102 GLU CB . 30471 1
877 . 1 1 102 102 GLU N N 15 121.3 0.1 . 1 . . . . A 102 GLU N . 30471 1
878 . 1 1 103 103 HIS H H 1 8.73 0.02 . 1 . . . . A 103 HIS H . 30471 1
879 . 1 1 103 103 HIS HA H 1 4.8 0.02 . 1 . . . . A 103 HIS HA . 30471 1
880 . 1 1 103 103 HIS HB2 H 1 2.60 0.02 . 2 . . . . A 103 HIS HB2 . 30471 1
881 . 1 1 103 103 HIS HB3 H 1 3.00 0.02 . 2 . . . . A 103 HIS HB3 . 30471 1
882 . 1 1 103 103 HIS C C 13 172.8 0.2 . 1 . . . . A 103 HIS C . 30471 1
883 . 1 1 103 103 HIS CA C 13 57.2 0.2 . 1 . . . . A 103 HIS CA . 30471 1
884 . 1 1 103 103 HIS CB C 13 35.3 0.2 . 1 . . . . A 103 HIS CB . 30471 1
885 . 1 1 103 103 HIS N N 15 119.7 0.1 . 1 . . . . A 103 HIS N . 30471 1
886 . 1 1 104 104 LYS H H 1 7.56 0.02 . 1 . . . . A 104 LYS H . 30471 1
887 . 1 1 104 104 LYS HA H 1 5.35 0.02 . 1 . . . . A 104 LYS HA . 30471 1
888 . 1 1 104 104 LYS HB2 H 1 1.47 0.02 . 2 . . . . A 104 LYS HB2 . 30471 1
889 . 1 1 104 104 LYS HB3 H 1 1.47 0.02 . 2 . . . . A 104 LYS HB3 . 30471 1
890 . 1 1 104 104 LYS HG2 H 1 1.11 0.02 . 2 . . . . A 104 LYS HG2 . 30471 1
891 . 1 1 104 104 LYS HG3 H 1 1.11 0.02 . 2 . . . . A 104 LYS HG3 . 30471 1
892 . 1 1 104 104 LYS HD2 H 1 1.60 0.02 . 2 . . . . A 104 LYS HD2 . 30471 1
893 . 1 1 104 104 LYS HD3 H 1 1.60 0.02 . 2 . . . . A 104 LYS HD3 . 30471 1
894 . 1 1 104 104 LYS HE2 H 1 3.00 0.02 . 2 . . . . A 104 LYS HE2 . 30471 1
895 . 1 1 104 104 LYS HE3 H 1 3.00 0.02 . 2 . . . . A 104 LYS HE3 . 30471 1
896 . 1 1 104 104 LYS C C 13 174.6 0.2 . 1 . . . . A 104 LYS C . 30471 1
897 . 1 1 104 104 LYS CA C 13 54.9 0.2 . 1 . . . . A 104 LYS CA . 30471 1
898 . 1 1 104 104 LYS CB C 13 35.5 0.2 . 1 . . . . A 104 LYS CB . 30471 1
899 . 1 1 104 104 LYS N N 15 125.3 0.1 . 1 . . . . A 104 LYS N . 30471 1
900 . 1 1 105 105 VAL H H 1 9.13 0.02 . 1 . . . . A 105 VAL H . 30471 1
901 . 1 1 105 105 VAL HA H 1 4.75 0.02 . 1 . . . . A 105 VAL HA . 30471 1
902 . 1 1 105 105 VAL HB H 1 2.05 0.02 . 1 . . . . A 105 VAL HB . 30471 1
903 . 1 1 105 105 VAL HG11 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG11 . 30471 1
904 . 1 1 105 105 VAL HG12 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG12 . 30471 1
905 . 1 1 105 105 VAL HG13 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG13 . 30471 1
906 . 1 1 105 105 VAL HG21 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG21 . 30471 1
907 . 1 1 105 105 VAL HG22 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG22 . 30471 1
908 . 1 1 105 105 VAL HG23 H 1 0.92 0.02 . 2 . . . . A 105 VAL HG23 . 30471 1
909 . 1 1 105 105 VAL C C 13 174.1 0.2 . 1 . . . . A 105 VAL C . 30471 1
910 . 1 1 105 105 VAL CA C 13 58.8 0.2 . 1 . . . . A 105 VAL CA . 30471 1
911 . 1 1 105 105 VAL CB C 13 36.7 0.2 . 1 . . . . A 105 VAL CB . 30471 1
912 . 1 1 105 105 VAL N N 15 113.5 0.1 . 1 . . . . A 105 VAL N . 30471 1
913 . 1 1 106 106 LYS H H 1 7.91 0.02 . 1 . . . . A 106 LYS H . 30471 1
914 . 1 1 106 106 LYS HA H 1 4.67 0.02 . 1 . . . . A 106 LYS HA . 30471 1
915 . 1 1 106 106 LYS HB2 H 1 1.85 0.02 . 2 . . . . A 106 LYS HB2 . 30471 1
916 . 1 1 106 106 LYS HB3 H 1 1.85 0.02 . 2 . . . . A 106 LYS HB3 . 30471 1
917 . 1 1 106 106 LYS HG2 H 1 1.54 0.02 . 2 . . . . A 106 LYS HG2 . 30471 1
918 . 1 1 106 106 LYS HG3 H 1 1.54 0.02 . 2 . . . . A 106 LYS HG3 . 30471 1
919 . 1 1 106 106 LYS HE2 H 1 2.96 0.02 . 2 . . . . A 106 LYS HE2 . 30471 1
920 . 1 1 106 106 LYS HE3 H 1 2.96 0.02 . 2 . . . . A 106 LYS HE3 . 30471 1
921 . 1 1 106 106 LYS C C 13 174.4 0.2 . 1 . . . . A 106 LYS C . 30471 1
922 . 1 1 106 106 LYS CA C 13 56.8 0.2 . 1 . . . . A 106 LYS CA . 30471 1
923 . 1 1 106 106 LYS CB C 13 34.3 0.2 . 1 . . . . A 106 LYS CB . 30471 1
924 . 1 1 106 106 LYS N N 15 121.2 0.1 . 1 . . . . A 106 LYS N . 30471 1
925 . 1 1 107 107 LEU H H 1 8.53 0.02 . 1 . . . . A 107 LEU H . 30471 1
926 . 1 1 107 107 LEU HA H 1 5.27 0.02 . 1 . . . . A 107 LEU HA . 30471 1
927 . 1 1 107 107 LEU HB2 H 1 1.83 0.02 . 2 . . . . A 107 LEU HB2 . 30471 1
928 . 1 1 107 107 LEU HB3 H 1 1.83 0.02 . 2 . . . . A 107 LEU HB3 . 30471 1
929 . 1 1 107 107 LEU HD11 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD11 . 30471 1
930 . 1 1 107 107 LEU HD12 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD12 . 30471 1
931 . 1 1 107 107 LEU HD13 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD13 . 30471 1
932 . 1 1 107 107 LEU HD21 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD21 . 30471 1
933 . 1 1 107 107 LEU HD22 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD22 . 30471 1
934 . 1 1 107 107 LEU HD23 H 1 0.90 0.02 . 2 . . . . A 107 LEU HD23 . 30471 1
935 . 1 1 107 107 LEU C C 13 174.9 0.2 . 1 . . . . A 107 LEU C . 30471 1
936 . 1 1 107 107 LEU CA C 13 53.4 0.2 . 1 . . . . A 107 LEU CA . 30471 1
937 . 1 1 107 107 LEU CB C 13 44.6 0.2 . 1 . . . . A 107 LEU CB . 30471 1
938 . 1 1 107 107 LEU N N 15 124.2 0.1 . 1 . . . . A 107 LEU N . 30471 1
939 . 1 1 108 108 GLU H H 1 8.96 0.02 . 1 . . . . A 108 GLU H . 30471 1
940 . 1 1 108 108 GLU HA H 1 4.68 0.02 . 1 . . . . A 108 GLU HA . 30471 1
941 . 1 1 108 108 GLU HB2 H 1 2.00 0.02 . 2 . . . . A 108 GLU HB2 . 30471 1
942 . 1 1 108 108 GLU HB3 H 1 2.00 0.02 . 2 . . . . A 108 GLU HB3 . 30471 1
943 . 1 1 108 108 GLU HG2 H 1 2.21 0.02 . 2 . . . . A 108 GLU HG2 . 30471 1
944 . 1 1 108 108 GLU HG3 H 1 2.21 0.02 . 2 . . . . A 108 GLU HG3 . 30471 1
945 . 1 1 108 108 GLU C C 13 173.3 0.2 . 1 . . . . A 108 GLU C . 30471 1
946 . 1 1 108 108 GLU CA C 13 55.3 0.2 . 1 . . . . A 108 GLU CA . 30471 1
947 . 1 1 108 108 GLU CB C 13 33.0 0.2 . 1 . . . . A 108 GLU CB . 30471 1
948 . 1 1 108 108 GLU N N 15 127.3 0.1 . 1 . . . . A 108 GLU N . 30471 1
949 . 1 1 109 109 ILE H H 1 7.92 0.02 . 1 . . . . A 109 ILE H . 30471 1
950 . 1 1 109 109 ILE HA H 1 4.85 0.02 . 1 . . . . A 109 ILE HA . 30471 1
951 . 1 1 109 109 ILE HB H 1 1.70 0.02 . 1 . . . . A 109 ILE HB . 30471 1
952 . 1 1 109 109 ILE HG12 H 1 0.87 0.02 . 2 . . . . A 109 ILE HG12 . 30471 1
953 . 1 1 109 109 ILE HG13 H 1 0.87 0.02 . 2 . . . . A 109 ILE HG13 . 30471 1
954 . 1 1 109 109 ILE HG21 H 1 0.37 0.02 . 1 . . . . A 109 ILE HG21 . 30471 1
955 . 1 1 109 109 ILE HG22 H 1 0.37 0.02 . 1 . . . . A 109 ILE HG22 . 30471 1
956 . 1 1 109 109 ILE HG23 H 1 0.37 0.02 . 1 . . . . A 109 ILE HG23 . 30471 1
957 . 1 1 109 109 ILE HD11 H 1 0.59 0.02 . 1 . . . . A 109 ILE HD11 . 30471 1
958 . 1 1 109 109 ILE HD12 H 1 0.59 0.02 . 1 . . . . A 109 ILE HD12 . 30471 1
959 . 1 1 109 109 ILE HD13 H 1 0.59 0.02 . 1 . . . . A 109 ILE HD13 . 30471 1
960 . 1 1 109 109 ILE C C 13 176.0 0.2 . 1 . . . . A 109 ILE C . 30471 1
961 . 1 1 109 109 ILE CA C 13 58.2 0.2 . 1 . . . . A 109 ILE CA . 30471 1
962 . 1 1 109 109 ILE CB C 13 37.3 0.2 . 1 . . . . A 109 ILE CB . 30471 1
963 . 1 1 109 109 ILE N N 15 125.2 0.1 . 1 . . . . A 109 ILE N . 30471 1
964 . 1 1 110 110 GLN H H 1 9.03 0.02 . 1 . . . . A 110 GLN H . 30471 1
965 . 1 1 110 110 GLN HA H 1 4.42 0.02 . 1 . . . . A 110 GLN HA . 30471 1
966 . 1 1 110 110 GLN HB2 H 1 1.90 0.02 . 2 . . . . A 110 GLN HB2 . 30471 1
967 . 1 1 110 110 GLN HB3 H 1 1.90 0.02 . 2 . . . . A 110 GLN HB3 . 30471 1
968 . 1 1 110 110 GLN HG2 H 1 2.22 0.02 . 2 . . . . A 110 GLN HG2 . 30471 1
969 . 1 1 110 110 GLN HG3 H 1 2.22 0.02 . 2 . . . . A 110 GLN HG3 . 30471 1
970 . 1 1 110 110 GLN C C 13 174.7 0.2 . 1 . . . . A 110 GLN C . 30471 1
971 . 1 1 110 110 GLN CA C 13 54.8 0.2 . 1 . . . . A 110 GLN CA . 30471 1
972 . 1 1 110 110 GLN CB C 13 30.5 0.2 . 1 . . . . A 110 GLN CB . 30471 1
973 . 1 1 110 110 GLN N N 15 128.6 0.1 . 1 . . . . A 110 GLN N . 30471 1
974 . 1 1 111 111 GLN H H 1 8.63 0.02 . 1 . . . . A 111 GLN H . 30471 1
975 . 1 1 111 111 GLN HA H 1 4.36 0.02 . 2 . . . . A 111 GLN HA . 30471 1
976 . 1 1 111 111 GLN HB2 H 1 2.00 0.02 . 2 . . . . A 111 GLN HB2 . 30471 1
977 . 1 1 111 111 GLN HB3 H 1 2.00 0.02 . 2 . . . . A 111 GLN HB3 . 30471 1
978 . 1 1 111 111 GLN HG2 H 1 2.36 0.02 . 2 . . . . A 111 GLN HG2 . 30471 1
979 . 1 1 111 111 GLN HG3 H 1 2.36 0.02 . 2 . . . . A 111 GLN HG3 . 30471 1
980 . 1 1 111 111 GLN C C 13 176.1 0.2 . 1 . . . . A 111 GLN C . 30471 1
981 . 1 1 111 111 GLN CA C 13 55.8 0.2 . 1 . . . . A 111 GLN CA . 30471 1
982 . 1 1 111 111 GLN CB C 13 30.3 0.2 . 1 . . . . A 111 GLN CB . 30471 1
983 . 1 1 111 111 GLN N N 15 123.6 0.1 . 1 . . . . A 111 GLN N . 30471 1
984 . 1 1 112 112 LEU H H 1 8.81 0.02 . 1 . . . . A 112 LEU H . 30471 1
985 . 1 1 112 112 LEU HA H 1 4.20 0.02 . 1 . . . . A 112 LEU HA . 30471 1
986 . 1 1 112 112 LEU HB2 H 1 1.54 0.02 . 2 . . . . A 112 LEU HB2 . 30471 1
987 . 1 1 112 112 LEU HB3 H 1 1.54 0.02 . 2 . . . . A 112 LEU HB3 . 30471 1
988 . 1 1 112 112 LEU HD11 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD11 . 30471 1
989 . 1 1 112 112 LEU HD12 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD12 . 30471 1
990 . 1 1 112 112 LEU HD13 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD13 . 30471 1
991 . 1 1 112 112 LEU HD21 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD21 . 30471 1
992 . 1 1 112 112 LEU HD22 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD22 . 30471 1
993 . 1 1 112 112 LEU HD23 H 1 0.87 0.02 . 2 . . . . A 112 LEU HD23 . 30471 1
994 . 1 1 112 112 LEU C C 13 177.2 0.2 . 1 . . . . A 112 LEU C . 30471 1
995 . 1 1 112 112 LEU CA C 13 55.7 0.2 . 1 . . . . A 112 LEU CA . 30471 1
996 . 1 1 112 112 LEU CB C 13 42.5 0.2 . 1 . . . . A 112 LEU CB . 30471 1
997 . 1 1 112 112 LEU N N 15 124.3 0.1 . 1 . . . . A 112 LEU N . 30471 1
998 . 1 1 113 113 GLU H H 1 8.81 0.02 . 1 . . . . A 113 GLU H . 30471 1
999 . 1 1 113 113 GLU C C 13 177.2 0.2 . 1 . . . . A 113 GLU C . 30471 1
1000 . 1 1 113 113 GLU CA C 13 55.7 0.2 . 1 . . . . A 113 GLU CA . 30471 1
1001 . 1 1 113 113 GLU CB C 13 42.5 0.2 . 1 . . . . A 113 GLU CB . 30471 1
1002 . 1 1 113 113 GLU N N 15 124.3 0.1 . 1 . . . . A 113 GLU N . 30471 1
1003 . 1 1 118 118 HIS HA H 1 4.53 0.02 . 1 . . . . A 118 HIS HA . 30471 1
1004 . 1 1 118 118 HIS HB2 H 1 3.00 0.02 . 2 . . . . A 118 HIS HB2 . 30471 1
1005 . 1 1 118 118 HIS HB3 H 1 3.00 0.02 . 2 . . . . A 118 HIS HB3 . 30471 1
1006 . 1 1 118 118 HIS C C 13 174.2 0.2 . 1 . . . . A 118 HIS C . 30471 1
1007 . 1 1 118 118 HIS CA C 13 56.8 0.2 . 1 . . . . A 118 HIS CA . 30471 1
1008 . 1 1 118 118 HIS CB C 13 32.6 0.2 . 1 . . . . A 118 HIS CB . 30471 1
1009 . 1 1 119 119 HIS H H 1 7.83 0.02 . 1 . . . . A 119 HIS H . 30471 1
1010 . 1 1 119 119 HIS HA H 1 4.32 0.02 . 1 . . . . A 119 HIS HA . 30471 1
1011 . 1 1 119 119 HIS HB2 H 1 3.00 0.02 . 2 . . . . A 119 HIS HB2 . 30471 1
1012 . 1 1 119 119 HIS HB3 H 1 3.00 0.02 . 2 . . . . A 119 HIS HB3 . 30471 1
1013 . 1 1 119 119 HIS C C 13 179.7 0.2 . 1 . . . . A 119 HIS C . 30471 1
1014 . 1 1 119 119 HIS CA C 13 57.6 0.2 . 1 . . . . A 119 HIS CA . 30471 1
1015 . 1 1 119 119 HIS CB C 13 30.9 0.2 . 1 . . . . A 119 HIS CB . 30471 1
1016 . 1 1 119 119 HIS N N 15 126.1 0.1 . 1 . . . . A 119 HIS N . 30471 1
stop_
save_