data_11207
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11207
_Entry.Title
;
Solution structure of the first PDZ domain of scribble homolog protein (hScrib)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-07-22
_Entry.Accession_date 2010-07-23
_Entry.Last_release_date 2011-07-21
_Entry.Original_release_date 2011-07-21
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.14
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 X. Qin . . . 11207
2 T. Nagashima . . . 11207
3 F. Hayashi . . . 11207
4 S. Yokoyama . . . 11207
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
. 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11207
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11207
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 431 11207
'15N chemical shifts' 105 11207
'1H chemical shifts' 686 11207
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 . . 2011-07-21 2010-07-22 original author . 11207
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1X5Q 'BMRB Entry Tracking System' 11207
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 11207
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'Solution structure of the first PDZ domain of scribble homolog protein (hScrib)'
_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 .
_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.Entry_ID
_Citation_author.Citation_ID
1 X. Qin . . . 11207 1
2 T. Nagashima . . . 11207 1
3 F. Hayashi . . . 11207 1
4 S. Yokoyama . . . 11207 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11207
_Assembly.ID 1
_Assembly.Name 'LAP4 protein'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_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 'PDZ domain of scribble homolog protein (hScrib)' 1 $entity_1 A . yes native no no . . . 11207 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 1x5q . . . . . . 11207 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 11207
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'PDZ domain'
_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
;
GSSGSSGEPARIEEEELTLT
ILRQTGGLGISIAGGKGSTP
YKGDDEGIFISRVSEEGPAA
RAGVRVGDKLLEVNGVALQG
AEHHEAVEALRGAGTAVQMR
VWRESGPSSG
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 110
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 1X5Q . "Solution Structure Of The First Pdz Domain Of Scribble Homolog Protein (Hscrib)" . . . . . 100.00 110 100.00 100.00 4.87e-68 . . . . 11207 1
2 no PDB 2W4F . "Crystal Structure Of The First Pdz Domain Of Human Scrib1" . . . . . 81.82 97 100.00 100.00 1.10e-54 . . . . 11207 1
3 no REF XP_014394174 . "PREDICTED: protein scribble homolog [Myotis brandtii]" . . . . . 60.91 853 97.01 100.00 1.11e-31 . . . . 11207 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'PDZ domain' . 11207 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 . GLY . 11207 1
2 . SER . 11207 1
3 . SER . 11207 1
4 . GLY . 11207 1
5 . SER . 11207 1
6 . SER . 11207 1
7 . GLY . 11207 1
8 . GLU . 11207 1
9 . PRO . 11207 1
10 . ALA . 11207 1
11 . ARG . 11207 1
12 . ILE . 11207 1
13 . GLU . 11207 1
14 . GLU . 11207 1
15 . GLU . 11207 1
16 . GLU . 11207 1
17 . LEU . 11207 1
18 . THR . 11207 1
19 . LEU . 11207 1
20 . THR . 11207 1
21 . ILE . 11207 1
22 . LEU . 11207 1
23 . ARG . 11207 1
24 . GLN . 11207 1
25 . THR . 11207 1
26 . GLY . 11207 1
27 . GLY . 11207 1
28 . LEU . 11207 1
29 . GLY . 11207 1
30 . ILE . 11207 1
31 . SER . 11207 1
32 . ILE . 11207 1
33 . ALA . 11207 1
34 . GLY . 11207 1
35 . GLY . 11207 1
36 . LYS . 11207 1
37 . GLY . 11207 1
38 . SER . 11207 1
39 . THR . 11207 1
40 . PRO . 11207 1
41 . TYR . 11207 1
42 . LYS . 11207 1
43 . GLY . 11207 1
44 . ASP . 11207 1
45 . ASP . 11207 1
46 . GLU . 11207 1
47 . GLY . 11207 1
48 . ILE . 11207 1
49 . PHE . 11207 1
50 . ILE . 11207 1
51 . SER . 11207 1
52 . ARG . 11207 1
53 . VAL . 11207 1
54 . SER . 11207 1
55 . GLU . 11207 1
56 . GLU . 11207 1
57 . GLY . 11207 1
58 . PRO . 11207 1
59 . ALA . 11207 1
60 . ALA . 11207 1
61 . ARG . 11207 1
62 . ALA . 11207 1
63 . GLY . 11207 1
64 . VAL . 11207 1
65 . ARG . 11207 1
66 . VAL . 11207 1
67 . GLY . 11207 1
68 . ASP . 11207 1
69 . LYS . 11207 1
70 . LEU . 11207 1
71 . LEU . 11207 1
72 . GLU . 11207 1
73 . VAL . 11207 1
74 . ASN . 11207 1
75 . GLY . 11207 1
76 . VAL . 11207 1
77 . ALA . 11207 1
78 . LEU . 11207 1
79 . GLN . 11207 1
80 . GLY . 11207 1
81 . ALA . 11207 1
82 . GLU . 11207 1
83 . HIS . 11207 1
84 . HIS . 11207 1
85 . GLU . 11207 1
86 . ALA . 11207 1
87 . VAL . 11207 1
88 . GLU . 11207 1
89 . ALA . 11207 1
90 . LEU . 11207 1
91 . ARG . 11207 1
92 . GLY . 11207 1
93 . ALA . 11207 1
94 . GLY . 11207 1
95 . THR . 11207 1
96 . ALA . 11207 1
97 . VAL . 11207 1
98 . GLN . 11207 1
99 . MET . 11207 1
100 . ARG . 11207 1
101 . VAL . 11207 1
102 . TRP . 11207 1
103 . ARG . 11207 1
104 . GLU . 11207 1
105 . SER . 11207 1
106 . GLY . 11207 1
107 . PRO . 11207 1
108 . SER . 11207 1
109 . SER . 11207 1
110 . GLY . 11207 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
. GLY 1 1 11207 1
. SER 2 2 11207 1
. SER 3 3 11207 1
. GLY 4 4 11207 1
. SER 5 5 11207 1
. SER 6 6 11207 1
. GLY 7 7 11207 1
. GLU 8 8 11207 1
. PRO 9 9 11207 1
. ALA 10 10 11207 1
. ARG 11 11 11207 1
. ILE 12 12 11207 1
. GLU 13 13 11207 1
. GLU 14 14 11207 1
. GLU 15 15 11207 1
. GLU 16 16 11207 1
. LEU 17 17 11207 1
. THR 18 18 11207 1
. LEU 19 19 11207 1
. THR 20 20 11207 1
. ILE 21 21 11207 1
. LEU 22 22 11207 1
. ARG 23 23 11207 1
. GLN 24 24 11207 1
. THR 25 25 11207 1
. GLY 26 26 11207 1
. GLY 27 27 11207 1
. LEU 28 28 11207 1
. GLY 29 29 11207 1
. ILE 30 30 11207 1
. SER 31 31 11207 1
. ILE 32 32 11207 1
. ALA 33 33 11207 1
. GLY 34 34 11207 1
. GLY 35 35 11207 1
. LYS 36 36 11207 1
. GLY 37 37 11207 1
. SER 38 38 11207 1
. THR 39 39 11207 1
. PRO 40 40 11207 1
. TYR 41 41 11207 1
. LYS 42 42 11207 1
. GLY 43 43 11207 1
. ASP 44 44 11207 1
. ASP 45 45 11207 1
. GLU 46 46 11207 1
. GLY 47 47 11207 1
. ILE 48 48 11207 1
. PHE 49 49 11207 1
. ILE 50 50 11207 1
. SER 51 51 11207 1
. ARG 52 52 11207 1
. VAL 53 53 11207 1
. SER 54 54 11207 1
. GLU 55 55 11207 1
. GLU 56 56 11207 1
. GLY 57 57 11207 1
. PRO 58 58 11207 1
. ALA 59 59 11207 1
. ALA 60 60 11207 1
. ARG 61 61 11207 1
. ALA 62 62 11207 1
. GLY 63 63 11207 1
. VAL 64 64 11207 1
. ARG 65 65 11207 1
. VAL 66 66 11207 1
. GLY 67 67 11207 1
. ASP 68 68 11207 1
. LYS 69 69 11207 1
. LEU 70 70 11207 1
. LEU 71 71 11207 1
. GLU 72 72 11207 1
. VAL 73 73 11207 1
. ASN 74 74 11207 1
. GLY 75 75 11207 1
. VAL 76 76 11207 1
. ALA 77 77 11207 1
. LEU 78 78 11207 1
. GLN 79 79 11207 1
. GLY 80 80 11207 1
. ALA 81 81 11207 1
. GLU 82 82 11207 1
. HIS 83 83 11207 1
. HIS 84 84 11207 1
. GLU 85 85 11207 1
. ALA 86 86 11207 1
. VAL 87 87 11207 1
. GLU 88 88 11207 1
. ALA 89 89 11207 1
. LEU 90 90 11207 1
. ARG 91 91 11207 1
. GLY 92 92 11207 1
. ALA 93 93 11207 1
. GLY 94 94 11207 1
. THR 95 95 11207 1
. ALA 96 96 11207 1
. VAL 97 97 11207 1
. GLN 98 98 11207 1
. MET 99 99 11207 1
. ARG 100 100 11207 1
. VAL 101 101 11207 1
. TRP 102 102 11207 1
. ARG 103 103 11207 1
. GLU 104 104 11207 1
. SER 105 105 11207 1
. GLY 106 106 11207 1
. PRO 107 107 11207 1
. SER 108 108 11207 1
. SER 109 109 11207 1
. GLY 110 110 11207 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 11207
_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.Subvariant
_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.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_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 sapiens . . . . . . . . . . . . . . . . . . . . . 11207 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 11207
_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_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_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.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040628-05 . . . . . . 11207 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11207
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
1.20mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;}
1mM {d-DTT;} 0.02% NaN3
;
_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 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.20 . . mM . . . . 11207 1
2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11207 1
3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11207 1
4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11207 1
5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11207 1
6 H2O . . . . . . solvent 90 . . % . . . . 11207 1
7 D2O . . . . . . solvent 10 . . % . . . . 11207 1
stop_
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode condition_1
_Sample_condition_list.Entry_ID 11207
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 120 0.1 mM 11207 1
pH 7.0 0.05 pH 11207 1
pressure 1 0.001 atm 11207 1
temperature 298 0.1 K 11207 1
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Software.Sf_category software
_Software.Sf_framecode VNMR
_Software.Entry_ID 11207
_Software.ID 1
_Software.Name VNMR
_Software.Version 6.1C
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Varian . . 11207 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11207 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 11207
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20031121
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
DelaglioF. . . 11207 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 11207 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 11207
_Software.ID 3
_Software.Name NMRView
_Software.Version 5.0.4
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
JohnsonB.A. . . 11207 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11207 3
stop_
save_
save_Kujira
_Software.Sf_category software
_Software.Sf_framecode Kujira
_Software.Entry_ID 11207
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.9296
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
KobayashiN. . . 11207 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11207 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11207
_Software.ID 5
_Software.Name CYANA
_Software.Version 1.0.7
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
GuntertP. . . 11207 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 11207 5
'structure solution' 11207 5
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 11207
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 11207
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
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 11207
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 800 . . . 11207 1
2 spectrometer_2 Varian INOVA . 900 . . . 11207 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 11207
_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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11207 1
2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11207 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode reference_1
_Chem_shift_reference.Entry_ID 11207
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
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.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11207 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11207 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11207 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_chemical_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11207
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11207 1
2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11207 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $VNMR . . 11207 1
2 $NMRPipe . . 11207 1
3 $NMRView . . 11207 1
4 $Kujira . . 11207 1
5 $CYANA . . 11207 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.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 5 5 SER C C 13 174.761 0.300 . 1 . . . . 5 SER C . 11207 1
2 . 1 1 5 5 SER CA C 13 58.381 0.300 . 1 . . . . 5 SER CA . 11207 1
3 . 1 1 5 5 SER CB C 13 64.002 0.300 . 1 . . . . 5 SER CB . 11207 1
4 . 1 1 6 6 SER HA H 1 4.491 0.030 . 1 . . . . 6 SER HA . 11207 1
5 . 1 1 6 6 SER HB2 H 1 3.916 0.030 . 1 . . . . 6 SER HB2 . 11207 1
6 . 1 1 6 6 SER HB3 H 1 3.916 0.030 . 1 . . . . 6 SER HB3 . 11207 1
7 . 1 1 6 6 SER C C 13 174.953 0.300 . 1 . . . . 6 SER C . 11207 1
8 . 1 1 6 6 SER CA C 13 58.629 0.300 . 1 . . . . 6 SER CA . 11207 1
9 . 1 1 6 6 SER CB C 13 63.898 0.300 . 1 . . . . 6 SER CB . 11207 1
10 . 1 1 7 7 GLY H H 1 8.378 0.030 . 1 . . . . 7 GLY H . 11207 1
11 . 1 1 7 7 GLY HA2 H 1 3.971 0.030 . 1 . . . . 7 GLY HA2 . 11207 1
12 . 1 1 7 7 GLY HA3 H 1 3.971 0.030 . 1 . . . . 7 GLY HA3 . 11207 1
13 . 1 1 7 7 GLY C C 13 173.781 0.300 . 1 . . . . 7 GLY C . 11207 1
14 . 1 1 7 7 GLY CA C 13 45.146 0.300 . 1 . . . . 7 GLY CA . 11207 1
15 . 1 1 7 7 GLY N N 15 110.705 0.300 . 1 . . . . 7 GLY N . 11207 1
16 . 1 1 8 8 GLU H H 1 8.202 0.030 . 1 . . . . 8 GLU H . 11207 1
17 . 1 1 8 8 GLU HA H 1 4.595 0.030 . 1 . . . . 8 GLU HA . 11207 1
18 . 1 1 8 8 GLU HB2 H 1 2.043 0.030 . 2 . . . . 8 GLU HB2 . 11207 1
19 . 1 1 8 8 GLU HB3 H 1 1.867 0.030 . 2 . . . . 8 GLU HB3 . 11207 1
20 . 1 1 8 8 GLU HG2 H 1 2.276 0.030 . 1 . . . . 8 GLU HG2 . 11207 1
21 . 1 1 8 8 GLU HG3 H 1 2.276 0.030 . 1 . . . . 8 GLU HG3 . 11207 1
22 . 1 1 8 8 GLU C C 13 174.556 0.300 . 1 . . . . 8 GLU C . 11207 1
23 . 1 1 8 8 GLU CA C 13 54.361 0.300 . 1 . . . . 8 GLU CA . 11207 1
24 . 1 1 8 8 GLU CB C 13 29.747 0.300 . 1 . . . . 8 GLU CB . 11207 1
25 . 1 1 8 8 GLU CG C 13 35.931 0.300 . 1 . . . . 8 GLU CG . 11207 1
26 . 1 1 8 8 GLU N N 15 121.865 0.300 . 1 . . . . 8 GLU N . 11207 1
27 . 1 1 9 9 PRO HA H 1 4.401 0.030 . 1 . . . . 9 PRO HA . 11207 1
28 . 1 1 9 9 PRO HB2 H 1 2.295 0.030 . 2 . . . . 9 PRO HB2 . 11207 1
29 . 1 1 9 9 PRO HB3 H 1 1.898 0.030 . 2 . . . . 9 PRO HB3 . 11207 1
30 . 1 1 9 9 PRO HD2 H 1 3.674 0.030 . 2 . . . . 9 PRO HD2 . 11207 1
31 . 1 1 9 9 PRO HD3 H 1 3.818 0.030 . 2 . . . . 9 PRO HD3 . 11207 1
32 . 1 1 9 9 PRO HG2 H 1 2.020 0.030 . 1 . . . . 9 PRO HG2 . 11207 1
33 . 1 1 9 9 PRO HG3 H 1 2.020 0.030 . 1 . . . . 9 PRO HG3 . 11207 1
34 . 1 1 9 9 PRO C C 13 176.543 0.300 . 1 . . . . 9 PRO C . 11207 1
35 . 1 1 9 9 PRO CA C 13 63.110 0.300 . 1 . . . . 9 PRO CA . 11207 1
36 . 1 1 9 9 PRO CB C 13 32.122 0.300 . 1 . . . . 9 PRO CB . 11207 1
37 . 1 1 9 9 PRO CD C 13 50.677 0.300 . 1 . . . . 9 PRO CD . 11207 1
38 . 1 1 9 9 PRO CG C 13 27.450 0.300 . 1 . . . . 9 PRO CG . 11207 1
39 . 1 1 10 10 ALA H H 1 8.389 0.030 . 1 . . . . 10 ALA H . 11207 1
40 . 1 1 10 10 ALA HA H 1 4.270 0.030 . 1 . . . . 10 ALA HA . 11207 1
41 . 1 1 10 10 ALA HB1 H 1 1.370 0.030 . 1 . . . . 10 ALA HB . 11207 1
42 . 1 1 10 10 ALA HB2 H 1 1.370 0.030 . 1 . . . . 10 ALA HB . 11207 1
43 . 1 1 10 10 ALA HB3 H 1 1.370 0.030 . 1 . . . . 10 ALA HB . 11207 1
44 . 1 1 10 10 ALA C C 13 177.527 0.300 . 1 . . . . 10 ALA C . 11207 1
45 . 1 1 10 10 ALA CA C 13 52.338 0.300 . 1 . . . . 10 ALA CA . 11207 1
46 . 1 1 10 10 ALA CB C 13 19.316 0.300 . 1 . . . . 10 ALA CB . 11207 1
47 . 1 1 10 10 ALA N N 15 124.431 0.300 . 1 . . . . 10 ALA N . 11207 1
48 . 1 1 11 11 ARG H H 1 8.321 0.030 . 1 . . . . 11 ARG H . 11207 1
49 . 1 1 11 11 ARG HA H 1 4.356 0.030 . 1 . . . . 11 ARG HA . 11207 1
50 . 1 1 11 11 ARG HB2 H 1 1.823 0.030 . 2 . . . . 11 ARG HB2 . 11207 1
51 . 1 1 11 11 ARG HB3 H 1 1.735 0.030 . 2 . . . . 11 ARG HB3 . 11207 1
52 . 1 1 11 11 ARG HD2 H 1 3.197 0.030 . 1 . . . . 11 ARG HD2 . 11207 1
53 . 1 1 11 11 ARG HD3 H 1 3.197 0.030 . 1 . . . . 11 ARG HD3 . 11207 1
54 . 1 1 11 11 ARG HG2 H 1 1.608 0.030 . 2 . . . . 11 ARG HG2 . 11207 1
55 . 1 1 11 11 ARG HG3 H 1 1.550 0.030 . 2 . . . . 11 ARG HG3 . 11207 1
56 . 1 1 11 11 ARG C C 13 175.919 0.300 . 1 . . . . 11 ARG C . 11207 1
57 . 1 1 11 11 ARG CA C 13 55.822 0.300 . 1 . . . . 11 ARG CA . 11207 1
58 . 1 1 11 11 ARG CB C 13 31.097 0.300 . 1 . . . . 11 ARG CB . 11207 1
59 . 1 1 11 11 ARG CD C 13 43.411 0.300 . 1 . . . . 11 ARG CD . 11207 1
60 . 1 1 11 11 ARG CG C 13 27.221 0.300 . 1 . . . . 11 ARG CG . 11207 1
61 . 1 1 11 11 ARG N N 15 121.133 0.300 . 1 . . . . 11 ARG N . 11207 1
62 . 1 1 12 12 ILE H H 1 8.298 0.030 . 1 . . . . 12 ILE H . 11207 1
63 . 1 1 12 12 ILE HA H 1 4.220 0.030 . 1 . . . . 12 ILE HA . 11207 1
64 . 1 1 12 12 ILE HB H 1 1.847 0.030 . 1 . . . . 12 ILE HB . 11207 1
65 . 1 1 12 12 ILE HD11 H 1 0.850 0.030 . 1 . . . . 12 ILE HD1 . 11207 1
66 . 1 1 12 12 ILE HD12 H 1 0.850 0.030 . 1 . . . . 12 ILE HD1 . 11207 1
67 . 1 1 12 12 ILE HD13 H 1 0.850 0.030 . 1 . . . . 12 ILE HD1 . 11207 1
68 . 1 1 12 12 ILE HG12 H 1 1.469 0.030 . 2 . . . . 12 ILE HG12 . 11207 1
69 . 1 1 12 12 ILE HG13 H 1 1.182 0.030 . 2 . . . . 12 ILE HG13 . 11207 1
70 . 1 1 12 12 ILE HG21 H 1 0.897 0.030 . 1 . . . . 12 ILE HG2 . 11207 1
71 . 1 1 12 12 ILE HG22 H 1 0.897 0.030 . 1 . . . . 12 ILE HG2 . 11207 1
72 . 1 1 12 12 ILE HG23 H 1 0.897 0.030 . 1 . . . . 12 ILE HG2 . 11207 1
73 . 1 1 12 12 ILE C C 13 176.185 0.300 . 1 . . . . 12 ILE C . 11207 1
74 . 1 1 12 12 ILE CA C 13 60.991 0.300 . 1 . . . . 12 ILE CA . 11207 1
75 . 1 1 12 12 ILE CB C 13 38.757 0.300 . 1 . . . . 12 ILE CB . 11207 1
76 . 1 1 12 12 ILE CD1 C 13 12.942 0.300 . 1 . . . . 12 ILE CD1 . 11207 1
77 . 1 1 12 12 ILE CG1 C 13 27.338 0.300 . 1 . . . . 12 ILE CG1 . 11207 1
78 . 1 1 12 12 ILE CG2 C 13 17.824 0.300 . 1 . . . . 12 ILE CG2 . 11207 1
79 . 1 1 12 12 ILE N N 15 123.344 0.300 . 1 . . . . 12 ILE N . 11207 1
80 . 1 1 13 13 GLU H H 1 8.603 0.030 . 1 . . . . 13 GLU H . 11207 1
81 . 1 1 13 13 GLU HA H 1 4.358 0.030 . 1 . . . . 13 GLU HA . 11207 1
82 . 1 1 13 13 GLU HB2 H 1 2.053 0.030 . 2 . . . . 13 GLU HB2 . 11207 1
83 . 1 1 13 13 GLU HB3 H 1 1.884 0.030 . 2 . . . . 13 GLU HB3 . 11207 1
84 . 1 1 13 13 GLU HG2 H 1 2.260 0.030 . 2 . . . . 13 GLU HG2 . 11207 1
85 . 1 1 13 13 GLU HG3 H 1 2.225 0.030 . 2 . . . . 13 GLU HG3 . 11207 1
86 . 1 1 13 13 GLU C C 13 175.859 0.300 . 1 . . . . 13 GLU C . 11207 1
87 . 1 1 13 13 GLU CA C 13 56.481 0.300 . 1 . . . . 13 GLU CA . 11207 1
88 . 1 1 13 13 GLU CB C 13 30.570 0.300 . 1 . . . . 13 GLU CB . 11207 1
89 . 1 1 13 13 GLU CG C 13 36.349 0.300 . 1 . . . . 13 GLU CG . 11207 1
90 . 1 1 13 13 GLU N N 15 125.526 0.300 . 1 . . . . 13 GLU N . 11207 1
91 . 1 1 14 14 GLU H H 1 8.274 0.030 . 1 . . . . 14 GLU H . 11207 1
92 . 1 1 14 14 GLU HA H 1 4.502 0.030 . 1 . . . . 14 GLU HA . 11207 1
93 . 1 1 14 14 GLU HB2 H 1 1.932 0.030 . 2 . . . . 14 GLU HB2 . 11207 1
94 . 1 1 14 14 GLU HB3 H 1 1.853 0.030 . 2 . . . . 14 GLU HB3 . 11207 1
95 . 1 1 14 14 GLU HG2 H 1 2.245 0.030 . 1 . . . . 14 GLU HG2 . 11207 1
96 . 1 1 14 14 GLU HG3 H 1 2.245 0.030 . 1 . . . . 14 GLU HG3 . 11207 1
97 . 1 1 14 14 GLU C C 13 175.586 0.300 . 1 . . . . 14 GLU C . 11207 1
98 . 1 1 14 14 GLU CA C 13 55.950 0.300 . 1 . . . . 14 GLU CA . 11207 1
99 . 1 1 14 14 GLU CB C 13 31.145 0.300 . 1 . . . . 14 GLU CB . 11207 1
100 . 1 1 14 14 GLU CG C 13 36.424 0.300 . 1 . . . . 14 GLU CG . 11207 1
101 . 1 1 14 14 GLU N N 15 120.978 0.300 . 1 . . . . 14 GLU N . 11207 1
102 . 1 1 15 15 GLU H H 1 8.294 0.030 . 1 . . . . 15 GLU H . 11207 1
103 . 1 1 15 15 GLU HA H 1 4.310 0.030 . 1 . . . . 15 GLU HA . 11207 1
104 . 1 1 15 15 GLU HB2 H 1 1.734 0.030 . 2 . . . . 15 GLU HB2 . 11207 1
105 . 1 1 15 15 GLU HB3 H 1 1.685 0.030 . 2 . . . . 15 GLU HB3 . 11207 1
106 . 1 1 15 15 GLU HG2 H 1 2.037 0.030 . 1 . . . . 15 GLU HG2 . 11207 1
107 . 1 1 15 15 GLU HG3 H 1 2.037 0.030 . 1 . . . . 15 GLU HG3 . 11207 1
108 . 1 1 15 15 GLU C C 13 173.709 0.300 . 1 . . . . 15 GLU C . 11207 1
109 . 1 1 15 15 GLU CA C 13 56.007 0.300 . 1 . . . . 15 GLU CA . 11207 1
110 . 1 1 15 15 GLU CB C 13 32.273 0.300 . 1 . . . . 15 GLU CB . 11207 1
111 . 1 1 15 15 GLU CG C 13 36.427 0.300 . 1 . . . . 15 GLU CG . 11207 1
112 . 1 1 15 15 GLU N N 15 119.878 0.300 . 1 . . . . 15 GLU N . 11207 1
113 . 1 1 16 16 GLU H H 1 8.003 0.030 . 1 . . . . 16 GLU H . 11207 1
114 . 1 1 16 16 GLU HA H 1 5.409 0.030 . 1 . . . . 16 GLU HA . 11207 1
115 . 1 1 16 16 GLU HB2 H 1 2.032 0.030 . 2 . . . . 16 GLU HB2 . 11207 1
116 . 1 1 16 16 GLU HB3 H 1 1.962 0.030 . 2 . . . . 16 GLU HB3 . 11207 1
117 . 1 1 16 16 GLU HG2 H 1 2.164 0.030 . 2 . . . . 16 GLU HG2 . 11207 1
118 . 1 1 16 16 GLU HG3 H 1 2.374 0.030 . 2 . . . . 16 GLU HG3 . 11207 1
119 . 1 1 16 16 GLU C C 13 176.067 0.300 . 1 . . . . 16 GLU C . 11207 1
120 . 1 1 16 16 GLU CA C 13 54.767 0.300 . 1 . . . . 16 GLU CA . 11207 1
121 . 1 1 16 16 GLU CB C 13 31.945 0.300 . 1 . . . . 16 GLU CB . 11207 1
122 . 1 1 16 16 GLU CG C 13 37.345 0.300 . 1 . . . . 16 GLU CG . 11207 1
123 . 1 1 16 16 GLU N N 15 120.002 0.300 . 1 . . . . 16 GLU N . 11207 1
124 . 1 1 17 17 LEU H H 1 8.891 0.030 . 1 . . . . 17 LEU H . 11207 1
125 . 1 1 17 17 LEU HA H 1 4.774 0.030 . 1 . . . . 17 LEU HA . 11207 1
126 . 1 1 17 17 LEU HB2 H 1 1.437 0.030 . 1 . . . . 17 LEU HB2 . 11207 1
127 . 1 1 17 17 LEU HB3 H 1 1.437 0.030 . 1 . . . . 17 LEU HB3 . 11207 1
128 . 1 1 17 17 LEU HD11 H 1 0.700 0.030 . 1 . . . . 17 LEU HD1 . 11207 1
129 . 1 1 17 17 LEU HD12 H 1 0.700 0.030 . 1 . . . . 17 LEU HD1 . 11207 1
130 . 1 1 17 17 LEU HD13 H 1 0.700 0.030 . 1 . . . . 17 LEU HD1 . 11207 1
131 . 1 1 17 17 LEU HD21 H 1 0.777 0.030 . 1 . . . . 17 LEU HD2 . 11207 1
132 . 1 1 17 17 LEU HD22 H 1 0.777 0.030 . 1 . . . . 17 LEU HD2 . 11207 1
133 . 1 1 17 17 LEU HD23 H 1 0.777 0.030 . 1 . . . . 17 LEU HD2 . 11207 1
134 . 1 1 17 17 LEU HG H 1 1.420 0.030 . 1 . . . . 17 LEU HG . 11207 1
135 . 1 1 17 17 LEU C C 13 175.504 0.300 . 1 . . . . 17 LEU C . 11207 1
136 . 1 1 17 17 LEU CA C 13 54.546 0.300 . 1 . . . . 17 LEU CA . 11207 1
137 . 1 1 17 17 LEU CB C 13 45.233 0.300 . 1 . . . . 17 LEU CB . 11207 1
138 . 1 1 17 17 LEU CD1 C 13 25.738 0.300 . 2 . . . . 17 LEU CD1 . 11207 1
139 . 1 1 17 17 LEU CD2 C 13 24.932 0.300 . 2 . . . . 17 LEU CD2 . 11207 1
140 . 1 1 17 17 LEU CG C 13 27.423 0.300 . 1 . . . . 17 LEU CG . 11207 1
141 . 1 1 17 17 LEU N N 15 124.528 0.300 . 1 . . . . 17 LEU N . 11207 1
142 . 1 1 18 18 THR H H 1 8.499 0.030 . 1 . . . . 18 THR H . 11207 1
143 . 1 1 18 18 THR HA H 1 5.125 0.030 . 1 . . . . 18 THR HA . 11207 1
144 . 1 1 18 18 THR HB H 1 3.984 0.030 . 1 . . . . 18 THR HB . 11207 1
145 . 1 1 18 18 THR HG21 H 1 1.041 0.030 . 1 . . . . 18 THR HG2 . 11207 1
146 . 1 1 18 18 THR HG22 H 1 1.041 0.030 . 1 . . . . 18 THR HG2 . 11207 1
147 . 1 1 18 18 THR HG23 H 1 1.041 0.030 . 1 . . . . 18 THR HG2 . 11207 1
148 . 1 1 18 18 THR C C 13 173.736 0.300 . 1 . . . . 18 THR C . 11207 1
149 . 1 1 18 18 THR CA C 13 61.718 0.300 . 1 . . . . 18 THR CA . 11207 1
150 . 1 1 18 18 THR CB C 13 69.521 0.300 . 1 . . . . 18 THR CB . 11207 1
151 . 1 1 18 18 THR CG2 C 13 21.418 0.300 . 1 . . . . 18 THR CG2 . 11207 1
152 . 1 1 18 18 THR N N 15 117.138 0.300 . 1 . . . . 18 THR N . 11207 1
153 . 1 1 19 19 LEU H H 1 9.099 0.030 . 1 . . . . 19 LEU H . 11207 1
154 . 1 1 19 19 LEU HA H 1 4.842 0.030 . 1 . . . . 19 LEU HA . 11207 1
155 . 1 1 19 19 LEU HB2 H 1 1.482 0.030 . 2 . . . . 19 LEU HB2 . 11207 1
156 . 1 1 19 19 LEU HB3 H 1 1.340 0.030 . 2 . . . . 19 LEU HB3 . 11207 1
157 . 1 1 19 19 LEU HD11 H 1 0.864 0.030 . 1 . . . . 19 LEU HD1 . 11207 1
158 . 1 1 19 19 LEU HD12 H 1 0.864 0.030 . 1 . . . . 19 LEU HD1 . 11207 1
159 . 1 1 19 19 LEU HD13 H 1 0.864 0.030 . 1 . . . . 19 LEU HD1 . 11207 1
160 . 1 1 19 19 LEU HD21 H 1 0.685 0.030 . 1 . . . . 19 LEU HD2 . 11207 1
161 . 1 1 19 19 LEU HD22 H 1 0.685 0.030 . 1 . . . . 19 LEU HD2 . 11207 1
162 . 1 1 19 19 LEU HD23 H 1 0.685 0.030 . 1 . . . . 19 LEU HD2 . 11207 1
163 . 1 1 19 19 LEU HG H 1 1.462 0.030 . 1 . . . . 19 LEU HG . 11207 1
164 . 1 1 19 19 LEU C C 13 175.389 0.300 . 1 . . . . 19 LEU C . 11207 1
165 . 1 1 19 19 LEU CA C 13 53.329 0.300 . 1 . . . . 19 LEU CA . 11207 1
166 . 1 1 19 19 LEU CB C 13 45.037 0.300 . 1 . . . . 19 LEU CB . 11207 1
167 . 1 1 19 19 LEU CD1 C 13 23.779 0.300 . 2 . . . . 19 LEU CD1 . 11207 1
168 . 1 1 19 19 LEU CD2 C 13 26.709 0.300 . 2 . . . . 19 LEU CD2 . 11207 1
169 . 1 1 19 19 LEU CG C 13 26.966 0.300 . 1 . . . . 19 LEU CG . 11207 1
170 . 1 1 19 19 LEU N N 15 127.889 0.300 . 1 . . . . 19 LEU N . 11207 1
171 . 1 1 20 20 THR H H 1 8.627 0.030 . 1 . . . . 20 THR H . 11207 1
172 . 1 1 20 20 THR HA H 1 5.046 0.030 . 1 . . . . 20 THR HA . 11207 1
173 . 1 1 20 20 THR HB H 1 3.864 0.030 . 1 . . . . 20 THR HB . 11207 1
174 . 1 1 20 20 THR HG21 H 1 0.951 0.030 . 1 . . . . 20 THR HG2 . 11207 1
175 . 1 1 20 20 THR HG22 H 1 0.951 0.030 . 1 . . . . 20 THR HG2 . 11207 1
176 . 1 1 20 20 THR HG23 H 1 0.951 0.030 . 1 . . . . 20 THR HG2 . 11207 1
177 . 1 1 20 20 THR C C 13 173.132 0.300 . 1 . . . . 20 THR C . 11207 1
178 . 1 1 20 20 THR CA C 13 61.933 0.300 . 1 . . . . 20 THR CA . 11207 1
179 . 1 1 20 20 THR CB C 13 70.311 0.300 . 1 . . . . 20 THR CB . 11207 1
180 . 1 1 20 20 THR CG2 C 13 21.291 0.300 . 1 . . . . 20 THR CG2 . 11207 1
181 . 1 1 20 20 THR N N 15 117.950 0.300 . 1 . . . . 20 THR N . 11207 1
182 . 1 1 21 21 ILE H H 1 9.209 0.030 . 1 . . . . 21 ILE H . 11207 1
183 . 1 1 21 21 ILE HA H 1 4.083 0.030 . 1 . . . . 21 ILE HA . 11207 1
184 . 1 1 21 21 ILE HB H 1 1.676 0.030 . 1 . . . . 21 ILE HB . 11207 1
185 . 1 1 21 21 ILE HD11 H 1 0.832 0.030 . 1 . . . . 21 ILE HD1 . 11207 1
186 . 1 1 21 21 ILE HD12 H 1 0.832 0.030 . 1 . . . . 21 ILE HD1 . 11207 1
187 . 1 1 21 21 ILE HD13 H 1 0.832 0.030 . 1 . . . . 21 ILE HD1 . 11207 1
188 . 1 1 21 21 ILE HG12 H 1 1.493 0.030 . 2 . . . . 21 ILE HG12 . 11207 1
189 . 1 1 21 21 ILE HG13 H 1 0.823 0.030 . 2 . . . . 21 ILE HG13 . 11207 1
190 . 1 1 21 21 ILE HG21 H 1 0.721 0.030 . 1 . . . . 21 ILE HG2 . 11207 1
191 . 1 1 21 21 ILE HG22 H 1 0.721 0.030 . 1 . . . . 21 ILE HG2 . 11207 1
192 . 1 1 21 21 ILE HG23 H 1 0.721 0.030 . 1 . . . . 21 ILE HG2 . 11207 1
193 . 1 1 21 21 ILE C C 13 174.489 0.300 . 1 . . . . 21 ILE C . 11207 1
194 . 1 1 21 21 ILE CA C 13 60.423 0.300 . 1 . . . . 21 ILE CA . 11207 1
195 . 1 1 21 21 ILE CB C 13 40.308 0.300 . 1 . . . . 21 ILE CB . 11207 1
196 . 1 1 21 21 ILE CD1 C 13 15.091 0.300 . 1 . . . . 21 ILE CD1 . 11207 1
197 . 1 1 21 21 ILE CG1 C 13 28.344 0.300 . 1 . . . . 21 ILE CG1 . 11207 1
198 . 1 1 21 21 ILE CG2 C 13 19.897 0.300 . 1 . . . . 21 ILE CG2 . 11207 1
199 . 1 1 21 21 ILE N N 15 127.008 0.300 . 1 . . . . 21 ILE N . 11207 1
200 . 1 1 22 22 LEU H H 1 8.412 0.030 . 1 . . . . 22 LEU H . 11207 1
201 . 1 1 22 22 LEU HA H 1 4.961 0.030 . 1 . . . . 22 LEU HA . 11207 1
202 . 1 1 22 22 LEU HB2 H 1 1.700 0.030 . 2 . . . . 22 LEU HB2 . 11207 1
203 . 1 1 22 22 LEU HB3 H 1 1.476 0.030 . 2 . . . . 22 LEU HB3 . 11207 1
204 . 1 1 22 22 LEU HD11 H 1 0.913 0.030 . 1 . . . . 22 LEU HD1 . 11207 1
205 . 1 1 22 22 LEU HD12 H 1 0.913 0.030 . 1 . . . . 22 LEU HD1 . 11207 1
206 . 1 1 22 22 LEU HD13 H 1 0.913 0.030 . 1 . . . . 22 LEU HD1 . 11207 1
207 . 1 1 22 22 LEU HD21 H 1 0.833 0.030 . 1 . . . . 22 LEU HD2 . 11207 1
208 . 1 1 22 22 LEU HD22 H 1 0.833 0.030 . 1 . . . . 22 LEU HD2 . 11207 1
209 . 1 1 22 22 LEU HD23 H 1 0.833 0.030 . 1 . . . . 22 LEU HD2 . 11207 1
210 . 1 1 22 22 LEU HG H 1 1.613 0.030 . 1 . . . . 22 LEU HG . 11207 1
211 . 1 1 22 22 LEU C C 13 175.828 0.300 . 1 . . . . 22 LEU C . 11207 1
212 . 1 1 22 22 LEU CA C 13 53.588 0.300 . 1 . . . . 22 LEU CA . 11207 1
213 . 1 1 22 22 LEU CB C 13 41.310 0.300 . 1 . . . . 22 LEU CB . 11207 1
214 . 1 1 22 22 LEU CD1 C 13 24.871 0.300 . 2 . . . . 22 LEU CD1 . 11207 1
215 . 1 1 22 22 LEU CD2 C 13 23.444 0.300 . 2 . . . . 22 LEU CD2 . 11207 1
216 . 1 1 22 22 LEU CG C 13 27.134 0.300 . 1 . . . . 22 LEU CG . 11207 1
217 . 1 1 22 22 LEU N N 15 128.570 0.300 . 1 . . . . 22 LEU N . 11207 1
218 . 1 1 23 23 ARG H H 1 8.600 0.030 . 1 . . . . 23 ARG H . 11207 1
219 . 1 1 23 23 ARG HA H 1 3.999 0.030 . 1 . . . . 23 ARG HA . 11207 1
220 . 1 1 23 23 ARG HB2 H 1 1.687 0.030 . 1 . . . . 23 ARG HB2 . 11207 1
221 . 1 1 23 23 ARG HB3 H 1 1.687 0.030 . 1 . . . . 23 ARG HB3 . 11207 1
222 . 1 1 23 23 ARG HD2 H 1 3.196 0.030 . 2 . . . . 23 ARG HD2 . 11207 1
223 . 1 1 23 23 ARG HD3 H 1 3.046 0.030 . 2 . . . . 23 ARG HD3 . 11207 1
224 . 1 1 23 23 ARG HG2 H 1 1.533 0.030 . 2 . . . . 23 ARG HG2 . 11207 1
225 . 1 1 23 23 ARG HG3 H 1 1.439 0.030 . 2 . . . . 23 ARG HG3 . 11207 1
226 . 1 1 23 23 ARG C C 13 175.524 0.300 . 1 . . . . 23 ARG C . 11207 1
227 . 1 1 23 23 ARG CA C 13 57.045 0.300 . 1 . . . . 23 ARG CA . 11207 1
228 . 1 1 23 23 ARG CB C 13 31.589 0.300 . 1 . . . . 23 ARG CB . 11207 1
229 . 1 1 23 23 ARG CD C 13 43.337 0.300 . 1 . . . . 23 ARG CD . 11207 1
230 . 1 1 23 23 ARG CG C 13 27.221 0.300 . 1 . . . . 23 ARG CG . 11207 1
231 . 1 1 23 23 ARG N N 15 123.828 0.300 . 1 . . . . 23 ARG N . 11207 1
232 . 1 1 24 24 GLN H H 1 7.971 0.030 . 1 . . . . 24 GLN H . 11207 1
233 . 1 1 24 24 GLN HA H 1 4.648 0.030 . 1 . . . . 24 GLN HA . 11207 1
234 . 1 1 24 24 GLN HB2 H 1 2.296 0.030 . 2 . . . . 24 GLN HB2 . 11207 1
235 . 1 1 24 24 GLN HB3 H 1 1.993 0.030 . 2 . . . . 24 GLN HB3 . 11207 1
236 . 1 1 24 24 GLN HE21 H 1 7.498 0.030 . 2 . . . . 24 GLN HE21 . 11207 1
237 . 1 1 24 24 GLN HE22 H 1 6.944 0.030 . 2 . . . . 24 GLN HE22 . 11207 1
238 . 1 1 24 24 GLN HG2 H 1 2.414 0.030 . 1 . . . . 24 GLN HG2 . 11207 1
239 . 1 1 24 24 GLN HG3 H 1 2.414 0.030 . 1 . . . . 24 GLN HG3 . 11207 1
240 . 1 1 24 24 GLN C C 13 176.283 0.300 . 1 . . . . 24 GLN C . 11207 1
241 . 1 1 24 24 GLN CA C 13 55.219 0.300 . 1 . . . . 24 GLN CA . 11207 1
242 . 1 1 24 24 GLN CB C 13 30.926 0.300 . 1 . . . . 24 GLN CB . 11207 1
243 . 1 1 24 24 GLN CG C 13 33.838 0.300 . 1 . . . . 24 GLN CG . 11207 1
244 . 1 1 24 24 GLN N N 15 122.182 0.300 . 1 . . . . 24 GLN N . 11207 1
245 . 1 1 24 24 GLN NE2 N 15 112.320 0.300 . 1 . . . . 24 GLN NE2 . 11207 1
246 . 1 1 25 25 THR H H 1 8.075 0.030 . 1 . . . . 25 THR H . 11207 1
247 . 1 1 25 25 THR HA H 1 4.158 0.030 . 1 . . . . 25 THR HA . 11207 1
248 . 1 1 25 25 THR HB H 1 4.232 0.030 . 1 . . . . 25 THR HB . 11207 1
249 . 1 1 25 25 THR HG21 H 1 1.241 0.030 . 1 . . . . 25 THR HG2 . 11207 1
250 . 1 1 25 25 THR HG22 H 1 1.241 0.030 . 1 . . . . 25 THR HG2 . 11207 1
251 . 1 1 25 25 THR HG23 H 1 1.241 0.030 . 1 . . . . 25 THR HG2 . 11207 1
252 . 1 1 25 25 THR CA C 13 63.546 0.300 . 1 . . . . 25 THR CA . 11207 1
253 . 1 1 25 25 THR CB C 13 69.104 0.300 . 1 . . . . 25 THR CB . 11207 1
254 . 1 1 25 25 THR CG2 C 13 21.804 0.300 . 1 . . . . 25 THR CG2 . 11207 1
255 . 1 1 25 25 THR N N 15 116.919 0.300 . 1 . . . . 25 THR N . 11207 1
256 . 1 1 26 26 GLY HA2 H 1 4.115 0.030 . 2 . . . . 26 GLY HA2 . 11207 1
257 . 1 1 26 26 GLY HA3 H 1 3.973 0.030 . 2 . . . . 26 GLY HA3 . 11207 1
258 . 1 1 26 26 GLY C C 13 174.533 0.300 . 1 . . . . 26 GLY C . 11207 1
259 . 1 1 26 26 GLY CA C 13 45.271 0.300 . 1 . . . . 26 GLY CA . 11207 1
260 . 1 1 27 27 GLY H H 1 8.212 0.030 . 1 . . . . 27 GLY H . 11207 1
261 . 1 1 27 27 GLY HA2 H 1 4.315 0.030 . 2 . . . . 27 GLY HA2 . 11207 1
262 . 1 1 27 27 GLY HA3 H 1 4.127 0.030 . 2 . . . . 27 GLY HA3 . 11207 1
263 . 1 1 27 27 GLY C C 13 174.116 0.300 . 1 . . . . 27 GLY C . 11207 1
264 . 1 1 27 27 GLY CA C 13 44.665 0.300 . 1 . . . . 27 GLY CA . 11207 1
265 . 1 1 27 27 GLY N N 15 108.286 0.300 . 1 . . . . 27 GLY N . 11207 1
266 . 1 1 28 28 LEU HA H 1 4.205 0.030 . 1 . . . . 28 LEU HA . 11207 1
267 . 1 1 28 28 LEU HB2 H 1 1.825 0.030 . 2 . . . . 28 LEU HB2 . 11207 1
268 . 1 1 28 28 LEU HB3 H 1 1.404 0.030 . 2 . . . . 28 LEU HB3 . 11207 1
269 . 1 1 28 28 LEU HD11 H 1 0.892 0.030 . 1 . . . . 28 LEU HD1 . 11207 1
270 . 1 1 28 28 LEU HD12 H 1 0.892 0.030 . 1 . . . . 28 LEU HD1 . 11207 1
271 . 1 1 28 28 LEU HD13 H 1 0.892 0.030 . 1 . . . . 28 LEU HD1 . 11207 1
272 . 1 1 28 28 LEU HD21 H 1 0.726 0.030 . 1 . . . . 28 LEU HD2 . 11207 1
273 . 1 1 28 28 LEU HD22 H 1 0.726 0.030 . 1 . . . . 28 LEU HD2 . 11207 1
274 . 1 1 28 28 LEU HD23 H 1 0.726 0.030 . 1 . . . . 28 LEU HD2 . 11207 1
275 . 1 1 28 28 LEU HG H 1 1.782 0.030 . 1 . . . . 28 LEU HG . 11207 1
276 . 1 1 28 28 LEU C C 13 177.132 0.300 . 1 . . . . 28 LEU C . 11207 1
277 . 1 1 28 28 LEU CA C 13 55.466 0.300 . 1 . . . . 28 LEU CA . 11207 1
278 . 1 1 28 28 LEU CB C 13 43.862 0.300 . 1 . . . . 28 LEU CB . 11207 1
279 . 1 1 28 28 LEU CD1 C 13 26.730 0.300 . 2 . . . . 28 LEU CD1 . 11207 1
280 . 1 1 28 28 LEU CD2 C 13 23.071 0.300 . 2 . . . . 28 LEU CD2 . 11207 1
281 . 1 1 28 28 LEU CG C 13 27.020 0.300 . 1 . . . . 28 LEU CG . 11207 1
282 . 1 1 29 29 GLY H H 1 8.732 0.030 . 1 . . . . 29 GLY H . 11207 1
283 . 1 1 29 29 GLY HA2 H 1 4.076 0.030 . 2 . . . . 29 GLY HA2 . 11207 1
284 . 1 1 29 29 GLY HA3 H 1 3.984 0.030 . 2 . . . . 29 GLY HA3 . 11207 1
285 . 1 1 29 29 GLY C C 13 175.723 0.300 . 1 . . . . 29 GLY C . 11207 1
286 . 1 1 29 29 GLY CA C 13 46.867 0.300 . 1 . . . . 29 GLY CA . 11207 1
287 . 1 1 29 29 GLY N N 15 106.076 0.300 . 1 . . . . 29 GLY N . 11207 1
288 . 1 1 30 30 ILE H H 1 7.288 0.030 . 1 . . . . 30 ILE H . 11207 1
289 . 1 1 30 30 ILE HA H 1 5.317 0.030 . 1 . . . . 30 ILE HA . 11207 1
290 . 1 1 30 30 ILE HB H 1 1.828 0.030 . 1 . . . . 30 ILE HB . 11207 1
291 . 1 1 30 30 ILE HD11 H 1 0.603 0.030 . 1 . . . . 30 ILE HD1 . 11207 1
292 . 1 1 30 30 ILE HD12 H 1 0.603 0.030 . 1 . . . . 30 ILE HD1 . 11207 1
293 . 1 1 30 30 ILE HD13 H 1 0.603 0.030 . 1 . . . . 30 ILE HD1 . 11207 1
294 . 1 1 30 30 ILE HG12 H 1 1.275 0.030 . 2 . . . . 30 ILE HG12 . 11207 1
295 . 1 1 30 30 ILE HG13 H 1 0.799 0.030 . 2 . . . . 30 ILE HG13 . 11207 1
296 . 1 1 30 30 ILE HG21 H 1 0.821 0.030 . 1 . . . . 30 ILE HG2 . 11207 1
297 . 1 1 30 30 ILE HG22 H 1 0.821 0.030 . 1 . . . . 30 ILE HG2 . 11207 1
298 . 1 1 30 30 ILE HG23 H 1 0.821 0.030 . 1 . . . . 30 ILE HG2 . 11207 1
299 . 1 1 30 30 ILE C C 13 175.653 0.300 . 1 . . . . 30 ILE C . 11207 1
300 . 1 1 30 30 ILE CA C 13 59.075 0.300 . 1 . . . . 30 ILE CA . 11207 1
301 . 1 1 30 30 ILE CB C 13 43.180 0.300 . 1 . . . . 30 ILE CB . 11207 1
302 . 1 1 30 30 ILE CD1 C 13 13.807 0.300 . 1 . . . . 30 ILE CD1 . 11207 1
303 . 1 1 30 30 ILE CG1 C 13 25.292 0.300 . 1 . . . . 30 ILE CG1 . 11207 1
304 . 1 1 30 30 ILE CG2 C 13 19.537 0.300 . 1 . . . . 30 ILE CG2 . 11207 1
305 . 1 1 30 30 ILE N N 15 111.226 0.300 . 1 . . . . 30 ILE N . 11207 1
306 . 1 1 31 31 SER H H 1 8.210 0.030 . 1 . . . . 31 SER H . 11207 1
307 . 1 1 31 31 SER HA H 1 4.864 0.030 . 1 . . . . 31 SER HA . 11207 1
308 . 1 1 31 31 SER HB2 H 1 3.923 0.030 . 2 . . . . 31 SER HB2 . 11207 1
309 . 1 1 31 31 SER HB3 H 1 3.535 0.030 . 2 . . . . 31 SER HB3 . 11207 1
310 . 1 1 31 31 SER C C 13 172.762 0.300 . 1 . . . . 31 SER C . 11207 1
311 . 1 1 31 31 SER CA C 13 57.732 0.300 . 1 . . . . 31 SER CA . 11207 1
312 . 1 1 31 31 SER CB C 13 65.248 0.300 . 1 . . . . 31 SER CB . 11207 1
313 . 1 1 31 31 SER N N 15 116.099 0.300 . 1 . . . . 31 SER N . 11207 1
314 . 1 1 32 32 ILE H H 1 8.575 0.030 . 1 . . . . 32 ILE H . 11207 1
315 . 1 1 32 32 ILE HA H 1 5.468 0.030 . 1 . . . . 32 ILE HA . 11207 1
316 . 1 1 32 32 ILE HB H 1 1.626 0.030 . 1 . . . . 32 ILE HB . 11207 1
317 . 1 1 32 32 ILE HD11 H 1 0.325 0.030 . 1 . . . . 32 ILE HD1 . 11207 1
318 . 1 1 32 32 ILE HD12 H 1 0.325 0.030 . 1 . . . . 32 ILE HD1 . 11207 1
319 . 1 1 32 32 ILE HD13 H 1 0.325 0.030 . 1 . . . . 32 ILE HD1 . 11207 1
320 . 1 1 32 32 ILE HG12 H 1 1.331 0.030 . 2 . . . . 32 ILE HG12 . 11207 1
321 . 1 1 32 32 ILE HG13 H 1 0.855 0.030 . 2 . . . . 32 ILE HG13 . 11207 1
322 . 1 1 32 32 ILE HG21 H 1 0.593 0.030 . 1 . . . . 32 ILE HG2 . 11207 1
323 . 1 1 32 32 ILE HG22 H 1 0.593 0.030 . 1 . . . . 32 ILE HG2 . 11207 1
324 . 1 1 32 32 ILE HG23 H 1 0.593 0.030 . 1 . . . . 32 ILE HG2 . 11207 1
325 . 1 1 32 32 ILE C C 13 175.038 0.300 . 1 . . . . 32 ILE C . 11207 1
326 . 1 1 32 32 ILE CA C 13 58.908 0.300 . 1 . . . . 32 ILE CA . 11207 1
327 . 1 1 32 32 ILE CB C 13 42.530 0.300 . 1 . . . . 32 ILE CB . 11207 1
328 . 1 1 32 32 ILE CD1 C 13 14.709 0.300 . 1 . . . . 32 ILE CD1 . 11207 1
329 . 1 1 32 32 ILE CG1 C 13 25.252 0.300 . 1 . . . . 32 ILE CG1 . 11207 1
330 . 1 1 32 32 ILE CG2 C 13 18.708 0.300 . 1 . . . . 32 ILE CG2 . 11207 1
331 . 1 1 32 32 ILE N N 15 115.795 0.300 . 1 . . . . 32 ILE N . 11207 1
332 . 1 1 33 33 ALA H H 1 9.290 0.030 . 1 . . . . 33 ALA H . 11207 1
333 . 1 1 33 33 ALA HA H 1 4.923 0.030 . 1 . . . . 33 ALA HA . 11207 1
334 . 1 1 33 33 ALA HB1 H 1 1.505 0.030 . 1 . . . . 33 ALA HB . 11207 1
335 . 1 1 33 33 ALA HB2 H 1 1.505 0.030 . 1 . . . . 33 ALA HB . 11207 1
336 . 1 1 33 33 ALA HB3 H 1 1.505 0.030 . 1 . . . . 33 ALA HB . 11207 1
337 . 1 1 33 33 ALA C C 13 175.714 0.300 . 1 . . . . 33 ALA C . 11207 1
338 . 1 1 33 33 ALA CA C 13 51.015 0.300 . 1 . . . . 33 ALA CA . 11207 1
339 . 1 1 33 33 ALA CB C 13 24.240 0.300 . 1 . . . . 33 ALA CB . 11207 1
340 . 1 1 33 33 ALA N N 15 124.091 0.300 . 1 . . . . 33 ALA N . 11207 1
341 . 1 1 34 34 GLY H H 1 8.768 0.030 . 1 . . . . 34 GLY H . 11207 1
342 . 1 1 34 34 GLY HA2 H 1 5.328 0.030 . 2 . . . . 34 GLY HA2 . 11207 1
343 . 1 1 34 34 GLY HA3 H 1 4.000 0.030 . 2 . . . . 34 GLY HA3 . 11207 1
344 . 1 1 34 34 GLY C C 13 174.352 0.300 . 1 . . . . 34 GLY C . 11207 1
345 . 1 1 34 34 GLY CA C 13 44.298 0.300 . 1 . . . . 34 GLY CA . 11207 1
346 . 1 1 34 34 GLY N N 15 107.535 0.300 . 1 . . . . 34 GLY N . 11207 1
347 . 1 1 35 35 GLY H H 1 6.851 0.030 . 1 . . . . 35 GLY H . 11207 1
348 . 1 1 35 35 GLY HA2 H 1 4.566 0.030 . 2 . . . . 35 GLY HA2 . 11207 1
349 . 1 1 35 35 GLY HA3 H 1 3.684 0.030 . 2 . . . . 35 GLY HA3 . 11207 1
350 . 1 1 35 35 GLY C C 13 174.722 0.300 . 1 . . . . 35 GLY C . 11207 1
351 . 1 1 35 35 GLY CA C 13 43.981 0.300 . 1 . . . . 35 GLY CA . 11207 1
352 . 1 1 35 35 GLY N N 15 106.621 0.300 . 1 . . . . 35 GLY N . 11207 1
353 . 1 1 36 36 LYS H H 1 8.277 0.030 . 1 . . . . 36 LYS H . 11207 1
354 . 1 1 36 36 LYS HA H 1 4.164 0.030 . 1 . . . . 36 LYS HA . 11207 1
355 . 1 1 36 36 LYS HB2 H 1 1.526 0.030 . 1 . . . . 36 LYS HB2 . 11207 1
356 . 1 1 36 36 LYS HB3 H 1 1.526 0.030 . 1 . . . . 36 LYS HB3 . 11207 1
357 . 1 1 36 36 LYS HD2 H 1 1.744 0.030 . 2 . . . . 36 LYS HD2 . 11207 1
358 . 1 1 36 36 LYS HD3 H 1 1.674 0.030 . 2 . . . . 36 LYS HD3 . 11207 1
359 . 1 1 36 36 LYS HE2 H 1 3.013 0.030 . 1 . . . . 36 LYS HE2 . 11207 1
360 . 1 1 36 36 LYS HE3 H 1 3.013 0.030 . 1 . . . . 36 LYS HE3 . 11207 1
361 . 1 1 36 36 LYS HG2 H 1 1.331 0.030 . 2 . . . . 36 LYS HG2 . 11207 1
362 . 1 1 36 36 LYS HG3 H 1 1.482 0.030 . 2 . . . . 36 LYS HG3 . 11207 1
363 . 1 1 36 36 LYS C C 13 178.697 0.300 . 1 . . . . 36 LYS C . 11207 1
364 . 1 1 36 36 LYS CA C 13 58.315 0.300 . 1 . . . . 36 LYS CA . 11207 1
365 . 1 1 36 36 LYS CB C 13 32.203 0.300 . 1 . . . . 36 LYS CB . 11207 1
366 . 1 1 36 36 LYS CD C 13 29.294 0.300 . 1 . . . . 36 LYS CD . 11207 1
367 . 1 1 36 36 LYS CE C 13 42.029 0.300 . 1 . . . . 36 LYS CE . 11207 1
368 . 1 1 36 36 LYS CG C 13 24.279 0.300 . 1 . . . . 36 LYS CG . 11207 1
369 . 1 1 36 36 LYS N N 15 123.232 0.300 . 1 . . . . 36 LYS N . 11207 1
370 . 1 1 37 37 GLY H H 1 9.391 0.030 . 1 . . . . 37 GLY H . 11207 1
371 . 1 1 37 37 GLY HA2 H 1 4.364 0.030 . 2 . . . . 37 GLY HA2 . 11207 1
372 . 1 1 37 37 GLY HA3 H 1 3.841 0.030 . 2 . . . . 37 GLY HA3 . 11207 1
373 . 1 1 37 37 GLY C C 13 174.386 0.300 . 1 . . . . 37 GLY C . 11207 1
374 . 1 1 37 37 GLY CA C 13 45.778 0.300 . 1 . . . . 37 GLY CA . 11207 1
375 . 1 1 37 37 GLY N N 15 117.296 0.300 . 1 . . . . 37 GLY N . 11207 1
376 . 1 1 38 38 SER H H 1 7.971 0.030 . 1 . . . . 38 SER H . 11207 1
377 . 1 1 38 38 SER HA H 1 4.782 0.030 . 1 . . . . 38 SER HA . 11207 1
378 . 1 1 38 38 SER HB2 H 1 3.804 0.030 . 2 . . . . 38 SER HB2 . 11207 1
379 . 1 1 38 38 SER HB3 H 1 3.662 0.030 . 2 . . . . 38 SER HB3 . 11207 1
380 . 1 1 38 38 SER C C 13 173.933 0.300 . 1 . . . . 38 SER C . 11207 1
381 . 1 1 38 38 SER CA C 13 57.353 0.300 . 1 . . . . 38 SER CA . 11207 1
382 . 1 1 38 38 SER CB C 13 64.693 0.300 . 1 . . . . 38 SER CB . 11207 1
383 . 1 1 38 38 SER N N 15 116.157 0.300 . 1 . . . . 38 SER N . 11207 1
384 . 1 1 39 39 THR H H 1 8.442 0.030 . 1 . . . . 39 THR H . 11207 1
385 . 1 1 39 39 THR HA H 1 4.384 0.030 . 1 . . . . 39 THR HA . 11207 1
386 . 1 1 39 39 THR HB H 1 3.985 0.030 . 1 . . . . 39 THR HB . 11207 1
387 . 1 1 39 39 THR HG21 H 1 1.285 0.030 . 1 . . . . 39 THR HG2 . 11207 1
388 . 1 1 39 39 THR HG22 H 1 1.285 0.030 . 1 . . . . 39 THR HG2 . 11207 1
389 . 1 1 39 39 THR HG23 H 1 1.285 0.030 . 1 . . . . 39 THR HG2 . 11207 1
390 . 1 1 39 39 THR C C 13 172.738 0.300 . 1 . . . . 39 THR C . 11207 1
391 . 1 1 39 39 THR CA C 13 61.633 0.300 . 1 . . . . 39 THR CA . 11207 1
392 . 1 1 39 39 THR CB C 13 69.843 0.300 . 1 . . . . 39 THR CB . 11207 1
393 . 1 1 39 39 THR CG2 C 13 21.543 0.300 . 1 . . . . 39 THR CG2 . 11207 1
394 . 1 1 39 39 THR N N 15 121.207 0.300 . 1 . . . . 39 THR N . 11207 1
395 . 1 1 40 40 PRO HA H 1 4.685 0.030 . 1 . . . . 40 PRO HA . 11207 1
396 . 1 1 40 40 PRO HB2 H 1 2.318 0.030 . 2 . . . . 40 PRO HB2 . 11207 1
397 . 1 1 40 40 PRO HB3 H 1 1.659 0.030 . 2 . . . . 40 PRO HB3 . 11207 1
398 . 1 1 40 40 PRO HD2 H 1 3.676 0.030 . 2 . . . . 40 PRO HD2 . 11207 1
399 . 1 1 40 40 PRO HD3 H 1 4.112 0.030 . 2 . . . . 40 PRO HD3 . 11207 1
400 . 1 1 40 40 PRO HG2 H 1 1.912 0.030 . 2 . . . . 40 PRO HG2 . 11207 1
401 . 1 1 40 40 PRO HG3 H 1 2.085 0.030 . 2 . . . . 40 PRO HG3 . 11207 1
402 . 1 1 40 40 PRO C C 13 178.123 0.300 . 1 . . . . 40 PRO C . 11207 1
403 . 1 1 40 40 PRO CA C 13 63.086 0.300 . 1 . . . . 40 PRO CA . 11207 1
404 . 1 1 40 40 PRO CB C 13 32.776 0.300 . 1 . . . . 40 PRO CB . 11207 1
405 . 1 1 40 40 PRO CD C 13 51.584 0.300 . 1 . . . . 40 PRO CD . 11207 1
406 . 1 1 40 40 PRO CG C 13 27.920 0.300 . 1 . . . . 40 PRO CG . 11207 1
407 . 1 1 41 41 TYR H H 1 10.013 0.030 . 1 . . . . 41 TYR H . 11207 1
408 . 1 1 41 41 TYR HA H 1 4.112 0.030 . 1 . . . . 41 TYR HA . 11207 1
409 . 1 1 41 41 TYR HB2 H 1 2.859 0.030 . 2 . . . . 41 TYR HB2 . 11207 1
410 . 1 1 41 41 TYR HB3 H 1 2.415 0.030 . 2 . . . . 41 TYR HB3 . 11207 1
411 . 1 1 41 41 TYR HD1 H 1 6.281 0.030 . 1 . . . . 41 TYR HD1 . 11207 1
412 . 1 1 41 41 TYR HD2 H 1 6.281 0.030 . 1 . . . . 41 TYR HD2 . 11207 1
413 . 1 1 41 41 TYR HE1 H 1 6.555 0.030 . 1 . . . . 41 TYR HE1 . 11207 1
414 . 1 1 41 41 TYR HE2 H 1 6.555 0.030 . 1 . . . . 41 TYR HE2 . 11207 1
415 . 1 1 41 41 TYR C C 13 175.117 0.300 . 1 . . . . 41 TYR C . 11207 1
416 . 1 1 41 41 TYR CA C 13 59.844 0.300 . 1 . . . . 41 TYR CA . 11207 1
417 . 1 1 41 41 TYR CB C 13 39.691 0.300 . 1 . . . . 41 TYR CB . 11207 1
418 . 1 1 41 41 TYR CD1 C 13 133.205 0.300 . 1 . . . . 41 TYR CD1 . 11207 1
419 . 1 1 41 41 TYR CD2 C 13 133.205 0.300 . 1 . . . . 41 TYR CD2 . 11207 1
420 . 1 1 41 41 TYR CE1 C 13 116.829 0.300 . 1 . . . . 41 TYR CE1 . 11207 1
421 . 1 1 41 41 TYR CE2 C 13 116.829 0.300 . 1 . . . . 41 TYR CE2 . 11207 1
422 . 1 1 41 41 TYR N N 15 124.942 0.300 . 1 . . . . 41 TYR N . 11207 1
423 . 1 1 42 42 LYS H H 1 6.744 0.030 . 1 . . . . 42 LYS H . 11207 1
424 . 1 1 42 42 LYS HA H 1 4.180 0.030 . 1 . . . . 42 LYS HA . 11207 1
425 . 1 1 42 42 LYS HB2 H 1 1.356 0.030 . 2 . . . . 42 LYS HB2 . 11207 1
426 . 1 1 42 42 LYS HB3 H 1 1.250 0.030 . 2 . . . . 42 LYS HB3 . 11207 1
427 . 1 1 42 42 LYS HD2 H 1 1.580 0.030 . 1 . . . . 42 LYS HD2 . 11207 1
428 . 1 1 42 42 LYS HD3 H 1 1.580 0.030 . 1 . . . . 42 LYS HD3 . 11207 1
429 . 1 1 42 42 LYS HE2 H 1 2.929 0.030 . 1 . . . . 42 LYS HE2 . 11207 1
430 . 1 1 42 42 LYS HE3 H 1 2.929 0.030 . 1 . . . . 42 LYS HE3 . 11207 1
431 . 1 1 42 42 LYS HG2 H 1 1.131 0.030 . 2 . . . . 42 LYS HG2 . 11207 1
432 . 1 1 42 42 LYS HG3 H 1 1.011 0.030 . 2 . . . . 42 LYS HG3 . 11207 1
433 . 1 1 42 42 LYS C C 13 174.647 0.300 . 1 . . . . 42 LYS C . 11207 1
434 . 1 1 42 42 LYS CA C 13 54.374 0.300 . 1 . . . . 42 LYS CA . 11207 1
435 . 1 1 42 42 LYS CB C 13 35.251 0.300 . 1 . . . . 42 LYS CB . 11207 1
436 . 1 1 42 42 LYS CD C 13 29.701 0.300 . 1 . . . . 42 LYS CD . 11207 1
437 . 1 1 42 42 LYS CE C 13 42.044 0.300 . 1 . . . . 42 LYS CE . 11207 1
438 . 1 1 42 42 LYS CG C 13 23.774 0.300 . 1 . . . . 42 LYS CG . 11207 1
439 . 1 1 42 42 LYS N N 15 113.274 0.300 . 1 . . . . 42 LYS N . 11207 1
440 . 1 1 43 43 GLY H H 1 8.516 0.030 . 1 . . . . 43 GLY H . 11207 1
441 . 1 1 43 43 GLY HA2 H 1 3.818 0.030 . 2 . . . . 43 GLY HA2 . 11207 1
442 . 1 1 43 43 GLY HA3 H 1 3.684 0.030 . 2 . . . . 43 GLY HA3 . 11207 1
443 . 1 1 43 43 GLY C C 13 173.400 0.300 . 1 . . . . 43 GLY C . 11207 1
444 . 1 1 43 43 GLY CA C 13 47.119 0.300 . 1 . . . . 43 GLY CA . 11207 1
445 . 1 1 43 43 GLY N N 15 110.912 0.300 . 1 . . . . 43 GLY N . 11207 1
446 . 1 1 44 44 ASP H H 1 8.435 0.030 . 1 . . . . 44 ASP H . 11207 1
447 . 1 1 44 44 ASP HA H 1 4.715 0.030 . 1 . . . . 44 ASP HA . 11207 1
448 . 1 1 44 44 ASP HB2 H 1 2.732 0.030 . 2 . . . . 44 ASP HB2 . 11207 1
449 . 1 1 44 44 ASP HB3 H 1 2.704 0.030 . 2 . . . . 44 ASP HB3 . 11207 1
450 . 1 1 44 44 ASP C C 13 175.904 0.300 . 1 . . . . 44 ASP C . 11207 1
451 . 1 1 44 44 ASP CA C 13 52.819 0.300 . 1 . . . . 44 ASP CA . 11207 1
452 . 1 1 44 44 ASP CB C 13 41.003 0.300 . 1 . . . . 44 ASP CB . 11207 1
453 . 1 1 44 44 ASP N N 15 123.357 0.300 . 1 . . . . 44 ASP N . 11207 1
454 . 1 1 45 45 ASP H H 1 8.070 0.030 . 1 . . . . 45 ASP H . 11207 1
455 . 1 1 45 45 ASP HA H 1 4.580 0.030 . 1 . . . . 45 ASP HA . 11207 1
456 . 1 1 45 45 ASP HB2 H 1 3.313 0.030 . 2 . . . . 45 ASP HB2 . 11207 1
457 . 1 1 45 45 ASP HB3 H 1 2.639 0.030 . 2 . . . . 45 ASP HB3 . 11207 1
458 . 1 1 45 45 ASP C C 13 176.427 0.300 . 1 . . . . 45 ASP C . 11207 1
459 . 1 1 45 45 ASP CA C 13 54.694 0.300 . 1 . . . . 45 ASP CA . 11207 1
460 . 1 1 45 45 ASP CB C 13 43.013 0.300 . 1 . . . . 45 ASP CB . 11207 1
461 . 1 1 45 45 ASP N N 15 122.459 0.300 . 1 . . . . 45 ASP N . 11207 1
462 . 1 1 46 46 GLU H H 1 8.722 0.030 . 1 . . . . 46 GLU H . 11207 1
463 . 1 1 46 46 GLU HA H 1 4.775 0.030 . 1 . . . . 46 GLU HA . 11207 1
464 . 1 1 46 46 GLU HB2 H 1 2.327 0.030 . 2 . . . . 46 GLU HB2 . 11207 1
465 . 1 1 46 46 GLU HB3 H 1 1.918 0.030 . 2 . . . . 46 GLU HB3 . 11207 1
466 . 1 1 46 46 GLU HG2 H 1 2.355 0.030 . 1 . . . . 46 GLU HG2 . 11207 1
467 . 1 1 46 46 GLU HG3 H 1 2.355 0.030 . 1 . . . . 46 GLU HG3 . 11207 1
468 . 1 1 46 46 GLU C C 13 177.579 0.300 . 1 . . . . 46 GLU C . 11207 1
469 . 1 1 46 46 GLU CA C 13 56.544 0.300 . 1 . . . . 46 GLU CA . 11207 1
470 . 1 1 46 46 GLU CB C 13 30.000 0.300 . 1 . . . . 46 GLU CB . 11207 1
471 . 1 1 46 46 GLU CG C 13 37.052 0.300 . 1 . . . . 46 GLU CG . 11207 1
472 . 1 1 46 46 GLU N N 15 125.586 0.300 . 1 . . . . 46 GLU N . 11207 1
473 . 1 1 47 47 GLY H H 1 9.574 0.030 . 1 . . . . 47 GLY H . 11207 1
474 . 1 1 47 47 GLY HA2 H 1 4.170 0.030 . 2 . . . . 47 GLY HA2 . 11207 1
475 . 1 1 47 47 GLY HA3 H 1 3.396 0.030 . 2 . . . . 47 GLY HA3 . 11207 1
476 . 1 1 47 47 GLY C C 13 171.423 0.300 . 1 . . . . 47 GLY C . 11207 1
477 . 1 1 47 47 GLY CA C 13 44.925 0.300 . 1 . . . . 47 GLY CA . 11207 1
478 . 1 1 47 47 GLY N N 15 108.943 0.300 . 1 . . . . 47 GLY N . 11207 1
479 . 1 1 48 48 ILE H H 1 8.577 0.030 . 1 . . . . 48 ILE H . 11207 1
480 . 1 1 48 48 ILE HA H 1 4.655 0.030 . 1 . . . . 48 ILE HA . 11207 1
481 . 1 1 48 48 ILE HB H 1 1.881 0.030 . 1 . . . . 48 ILE HB . 11207 1
482 . 1 1 48 48 ILE HD11 H 1 0.592 0.030 . 1 . . . . 48 ILE HD1 . 11207 1
483 . 1 1 48 48 ILE HD12 H 1 0.592 0.030 . 1 . . . . 48 ILE HD1 . 11207 1
484 . 1 1 48 48 ILE HD13 H 1 0.592 0.030 . 1 . . . . 48 ILE HD1 . 11207 1
485 . 1 1 48 48 ILE HG12 H 1 1.388 0.030 . 2 . . . . 48 ILE HG12 . 11207 1
486 . 1 1 48 48 ILE HG13 H 1 1.300 0.030 . 2 . . . . 48 ILE HG13 . 11207 1
487 . 1 1 48 48 ILE HG21 H 1 0.643 0.030 . 1 . . . . 48 ILE HG2 . 11207 1
488 . 1 1 48 48 ILE HG22 H 1 0.643 0.030 . 1 . . . . 48 ILE HG2 . 11207 1
489 . 1 1 48 48 ILE HG23 H 1 0.643 0.030 . 1 . . . . 48 ILE HG2 . 11207 1
490 . 1 1 48 48 ILE C C 13 174.618 0.300 . 1 . . . . 48 ILE C . 11207 1
491 . 1 1 48 48 ILE CA C 13 58.897 0.300 . 1 . . . . 48 ILE CA . 11207 1
492 . 1 1 48 48 ILE CB C 13 36.567 0.300 . 1 . . . . 48 ILE CB . 11207 1
493 . 1 1 48 48 ILE CD1 C 13 11.420 0.300 . 1 . . . . 48 ILE CD1 . 11207 1
494 . 1 1 48 48 ILE CG1 C 13 27.200 0.300 . 1 . . . . 48 ILE CG1 . 11207 1
495 . 1 1 48 48 ILE CG2 C 13 19.201 0.300 . 1 . . . . 48 ILE CG2 . 11207 1
496 . 1 1 48 48 ILE N N 15 120.649 0.300 . 1 . . . . 48 ILE N . 11207 1
497 . 1 1 49 49 PHE H H 1 8.954 0.030 . 1 . . . . 49 PHE H . 11207 1
498 . 1 1 49 49 PHE HA H 1 5.240 0.030 . 1 . . . . 49 PHE HA . 11207 1
499 . 1 1 49 49 PHE HB2 H 1 1.960 0.030 . 2 . . . . 49 PHE HB2 . 11207 1
500 . 1 1 49 49 PHE HB3 H 1 1.765 0.030 . 2 . . . . 49 PHE HB3 . 11207 1
501 . 1 1 49 49 PHE HD1 H 1 7.170 0.030 . 1 . . . . 49 PHE HD1 . 11207 1
502 . 1 1 49 49 PHE HD2 H 1 7.170 0.030 . 1 . . . . 49 PHE HD2 . 11207 1
503 . 1 1 49 49 PHE HE1 H 1 7.367 0.030 . 1 . . . . 49 PHE HE1 . 11207 1
504 . 1 1 49 49 PHE HE2 H 1 7.367 0.030 . 1 . . . . 49 PHE HE2 . 11207 1
505 . 1 1 49 49 PHE HZ H 1 7.374 0.030 . 1 . . . . 49 PHE HZ . 11207 1
506 . 1 1 49 49 PHE C C 13 175.493 0.300 . 1 . . . . 49 PHE C . 11207 1
507 . 1 1 49 49 PHE CA C 13 55.280 0.300 . 1 . . . . 49 PHE CA . 11207 1
508 . 1 1 49 49 PHE CB C 13 43.974 0.300 . 1 . . . . 49 PHE CB . 11207 1
509 . 1 1 49 49 PHE CD1 C 13 133.200 0.300 . 1 . . . . 49 PHE CD1 . 11207 1
510 . 1 1 49 49 PHE CD2 C 13 133.200 0.300 . 1 . . . . 49 PHE CD2 . 11207 1
511 . 1 1 49 49 PHE CE1 C 13 130.806 0.300 . 1 . . . . 49 PHE CE1 . 11207 1
512 . 1 1 49 49 PHE CE2 C 13 130.806 0.300 . 1 . . . . 49 PHE CE2 . 11207 1
513 . 1 1 49 49 PHE CZ C 13 129.595 0.300 . 1 . . . . 49 PHE CZ . 11207 1
514 . 1 1 49 49 PHE N N 15 124.108 0.300 . 1 . . . . 49 PHE N . 11207 1
515 . 1 1 50 50 ILE H H 1 8.847 0.030 . 1 . . . . 50 ILE H . 11207 1
516 . 1 1 50 50 ILE HA H 1 4.327 0.030 . 1 . . . . 50 ILE HA . 11207 1
517 . 1 1 50 50 ILE HB H 1 2.251 0.030 . 1 . . . . 50 ILE HB . 11207 1
518 . 1 1 50 50 ILE HD11 H 1 0.635 0.030 . 1 . . . . 50 ILE HD1 . 11207 1
519 . 1 1 50 50 ILE HD12 H 1 0.635 0.030 . 1 . . . . 50 ILE HD1 . 11207 1
520 . 1 1 50 50 ILE HD13 H 1 0.635 0.030 . 1 . . . . 50 ILE HD1 . 11207 1
521 . 1 1 50 50 ILE HG12 H 1 1.411 0.030 . 2 . . . . 50 ILE HG12 . 11207 1
522 . 1 1 50 50 ILE HG13 H 1 1.303 0.030 . 2 . . . . 50 ILE HG13 . 11207 1
523 . 1 1 50 50 ILE HG21 H 1 0.736 0.030 . 1 . . . . 50 ILE HG2 . 11207 1
524 . 1 1 50 50 ILE HG22 H 1 0.736 0.030 . 1 . . . . 50 ILE HG2 . 11207 1
525 . 1 1 50 50 ILE HG23 H 1 0.736 0.030 . 1 . . . . 50 ILE HG2 . 11207 1
526 . 1 1 50 50 ILE C C 13 175.291 0.300 . 1 . . . . 50 ILE C . 11207 1
527 . 1 1 50 50 ILE CA C 13 59.510 0.300 . 1 . . . . 50 ILE CA . 11207 1
528 . 1 1 50 50 ILE CB C 13 35.558 0.300 . 1 . . . . 50 ILE CB . 11207 1
529 . 1 1 50 50 ILE CD1 C 13 11.342 0.300 . 1 . . . . 50 ILE CD1 . 11207 1
530 . 1 1 50 50 ILE CG1 C 13 26.561 0.300 . 1 . . . . 50 ILE CG1 . 11207 1
531 . 1 1 50 50 ILE CG2 C 13 19.143 0.300 . 1 . . . . 50 ILE CG2 . 11207 1
532 . 1 1 50 50 ILE N N 15 119.840 0.300 . 1 . . . . 50 ILE N . 11207 1
533 . 1 1 51 51 SER H H 1 8.867 0.030 . 1 . . . . 51 SER H . 11207 1
534 . 1 1 51 51 SER HA H 1 4.540 0.030 . 1 . . . . 51 SER HA . 11207 1
535 . 1 1 51 51 SER HB2 H 1 4.075 0.030 . 2 . . . . 51 SER HB2 . 11207 1
536 . 1 1 51 51 SER HB3 H 1 3.312 0.030 . 2 . . . . 51 SER HB3 . 11207 1
537 . 1 1 51 51 SER C C 13 175.317 0.300 . 1 . . . . 51 SER C . 11207 1
538 . 1 1 51 51 SER CA C 13 57.952 0.300 . 1 . . . . 51 SER CA . 11207 1
539 . 1 1 51 51 SER CB C 13 64.991 0.300 . 1 . . . . 51 SER CB . 11207 1
540 . 1 1 51 51 SER N N 15 123.821 0.300 . 1 . . . . 51 SER N . 11207 1
541 . 1 1 52 52 ARG H H 1 7.483 0.030 . 1 . . . . 52 ARG H . 11207 1
542 . 1 1 52 52 ARG HA H 1 4.381 0.030 . 1 . . . . 52 ARG HA . 11207 1
543 . 1 1 52 52 ARG HB2 H 1 1.765 0.030 . 2 . . . . 52 ARG HB2 . 11207 1
544 . 1 1 52 52 ARG HB3 H 1 1.581 0.030 . 2 . . . . 52 ARG HB3 . 11207 1
545 . 1 1 52 52 ARG HD2 H 1 3.196 0.030 . 2 . . . . 52 ARG HD2 . 11207 1
546 . 1 1 52 52 ARG HD3 H 1 3.109 0.030 . 2 . . . . 52 ARG HD3 . 11207 1
547 . 1 1 52 52 ARG HG2 H 1 1.627 0.030 . 2 . . . . 52 ARG HG2 . 11207 1
548 . 1 1 52 52 ARG HG3 H 1 1.435 0.030 . 2 . . . . 52 ARG HG3 . 11207 1
549 . 1 1 52 52 ARG C C 13 173.601 0.300 . 1 . . . . 52 ARG C . 11207 1
550 . 1 1 52 52 ARG CA C 13 56.648 0.300 . 1 . . . . 52 ARG CA . 11207 1
551 . 1 1 52 52 ARG CB C 13 34.222 0.300 . 1 . . . . 52 ARG CB . 11207 1
552 . 1 1 52 52 ARG CD C 13 43.221 0.300 . 1 . . . . 52 ARG CD . 11207 1
553 . 1 1 52 52 ARG CG C 13 27.348 0.300 . 1 . . . . 52 ARG CG . 11207 1
554 . 1 1 52 52 ARG N N 15 122.736 0.300 . 1 . . . . 52 ARG N . 11207 1
555 . 1 1 53 53 VAL H H 1 8.526 0.030 . 1 . . . . 53 VAL H . 11207 1
556 . 1 1 53 53 VAL HA H 1 4.566 0.030 . 1 . . . . 53 VAL HA . 11207 1
557 . 1 1 53 53 VAL HB H 1 1.852 0.030 . 1 . . . . 53 VAL HB . 11207 1
558 . 1 1 53 53 VAL HG11 H 1 0.773 0.030 . 1 . . . . 53 VAL HG1 . 11207 1
559 . 1 1 53 53 VAL HG12 H 1 0.773 0.030 . 1 . . . . 53 VAL HG1 . 11207 1
560 . 1 1 53 53 VAL HG13 H 1 0.773 0.030 . 1 . . . . 53 VAL HG1 . 11207 1
561 . 1 1 53 53 VAL HG21 H 1 0.659 0.030 . 1 . . . . 53 VAL HG2 . 11207 1
562 . 1 1 53 53 VAL HG22 H 1 0.659 0.030 . 1 . . . . 53 VAL HG2 . 11207 1
563 . 1 1 53 53 VAL HG23 H 1 0.659 0.030 . 1 . . . . 53 VAL HG2 . 11207 1
564 . 1 1 53 53 VAL C C 13 175.541 0.300 . 1 . . . . 53 VAL C . 11207 1
565 . 1 1 53 53 VAL CA C 13 60.997 0.300 . 1 . . . . 53 VAL CA . 11207 1
566 . 1 1 53 53 VAL CB C 13 34.986 0.300 . 1 . . . . 53 VAL CB . 11207 1
567 . 1 1 53 53 VAL CG1 C 13 21.560 0.300 . 2 . . . . 53 VAL CG1 . 11207 1
568 . 1 1 53 53 VAL CG2 C 13 22.445 0.300 . 2 . . . . 53 VAL CG2 . 11207 1
569 . 1 1 53 53 VAL N N 15 123.148 0.300 . 1 . . . . 53 VAL N . 11207 1
570 . 1 1 54 54 SER H H 1 8.453 0.030 . 1 . . . . 54 SER H . 11207 1
571 . 1 1 54 54 SER HA H 1 4.375 0.030 . 1 . . . . 54 SER HA . 11207 1
572 . 1 1 54 54 SER HB2 H 1 3.936 0.030 . 2 . . . . 54 SER HB2 . 11207 1
573 . 1 1 54 54 SER HB3 H 1 3.811 0.030 . 2 . . . . 54 SER HB3 . 11207 1
574 . 1 1 54 54 SER C C 13 176.330 0.300 . 1 . . . . 54 SER C . 11207 1
575 . 1 1 54 54 SER CA C 13 58.711 0.300 . 1 . . . . 54 SER CA . 11207 1
576 . 1 1 54 54 SER CB C 13 62.968 0.300 . 1 . . . . 54 SER CB . 11207 1
577 . 1 1 54 54 SER N N 15 122.647 0.300 . 1 . . . . 54 SER N . 11207 1
578 . 1 1 55 55 GLU H H 1 9.488 0.030 . 1 . . . . 55 GLU H . 11207 1
579 . 1 1 55 55 GLU HA H 1 3.946 0.030 . 1 . . . . 55 GLU HA . 11207 1
580 . 1 1 55 55 GLU HB2 H 1 2.064 0.030 . 1 . . . . 55 GLU HB2 . 11207 1
581 . 1 1 55 55 GLU HB3 H 1 2.064 0.030 . 1 . . . . 55 GLU HB3 . 11207 1
582 . 1 1 55 55 GLU HG2 H 1 2.392 0.030 . 1 . . . . 55 GLU HG2 . 11207 1
583 . 1 1 55 55 GLU HG3 H 1 2.392 0.030 . 1 . . . . 55 GLU HG3 . 11207 1
584 . 1 1 55 55 GLU C C 13 176.935 0.300 . 1 . . . . 55 GLU C . 11207 1
585 . 1 1 55 55 GLU CA C 13 59.511 0.300 . 1 . . . . 55 GLU CA . 11207 1
586 . 1 1 55 55 GLU CB C 13 29.494 0.300 . 1 . . . . 55 GLU CB . 11207 1
587 . 1 1 55 55 GLU CG C 13 36.564 0.300 . 1 . . . . 55 GLU CG . 11207 1
588 . 1 1 55 55 GLU N N 15 129.598 0.300 . 1 . . . . 55 GLU N . 11207 1
589 . 1 1 56 56 GLU H H 1 8.823 0.030 . 1 . . . . 56 GLU H . 11207 1
590 . 1 1 56 56 GLU HA H 1 4.268 0.030 . 1 . . . . 56 GLU HA . 11207 1
591 . 1 1 56 56 GLU HB2 H 1 2.246 0.030 . 2 . . . . 56 GLU HB2 . 11207 1
592 . 1 1 56 56 GLU HB3 H 1 2.026 0.030 . 2 . . . . 56 GLU HB3 . 11207 1
593 . 1 1 56 56 GLU HG2 H 1 2.277 0.030 . 2 . . . . 56 GLU HG2 . 11207 1
594 . 1 1 56 56 GLU HG3 H 1 2.181 0.030 . 2 . . . . 56 GLU HG3 . 11207 1
595 . 1 1 56 56 GLU C C 13 176.204 0.300 . 1 . . . . 56 GLU C . 11207 1
596 . 1 1 56 56 GLU CA C 13 56.544 0.300 . 1 . . . . 56 GLU CA . 11207 1
597 . 1 1 56 56 GLU CB C 13 28.833 0.300 . 1 . . . . 56 GLU CB . 11207 1
598 . 1 1 56 56 GLU CG C 13 36.343 0.300 . 1 . . . . 56 GLU CG . 11207 1
599 . 1 1 56 56 GLU N N 15 116.357 0.300 . 1 . . . . 56 GLU N . 11207 1
600 . 1 1 57 57 GLY H H 1 7.553 0.030 . 1 . . . . 57 GLY H . 11207 1
601 . 1 1 57 57 GLY HA2 H 1 4.472 0.030 . 2 . . . . 57 GLY HA2 . 11207 1
602 . 1 1 57 57 GLY HA3 H 1 3.928 0.030 . 2 . . . . 57 GLY HA3 . 11207 1
603 . 1 1 57 57 GLY C C 13 172.404 0.300 . 1 . . . . 57 GLY C . 11207 1
604 . 1 1 57 57 GLY CA C 13 45.384 0.300 . 1 . . . . 57 GLY CA . 11207 1
605 . 1 1 57 57 GLY N N 15 107.078 0.300 . 1 . . . . 57 GLY N . 11207 1
606 . 1 1 58 58 PRO HA H 1 4.240 0.030 . 1 . . . . 58 PRO HA . 11207 1
607 . 1 1 58 58 PRO HB2 H 1 2.508 0.030 . 2 . . . . 58 PRO HB2 . 11207 1
608 . 1 1 58 58 PRO HB3 H 1 1.950 0.030 . 2 . . . . 58 PRO HB3 . 11207 1
609 . 1 1 58 58 PRO HD2 H 1 3.377 0.030 . 2 . . . . 58 PRO HD2 . 11207 1
610 . 1 1 58 58 PRO HD3 H 1 3.692 0.030 . 2 . . . . 58 PRO HD3 . 11207 1
611 . 1 1 58 58 PRO HG2 H 1 2.087 0.030 . 2 . . . . 58 PRO HG2 . 11207 1
612 . 1 1 58 58 PRO HG3 H 1 2.250 0.030 . 2 . . . . 58 PRO HG3 . 11207 1
613 . 1 1 58 58 PRO C C 13 179.531 0.300 . 1 . . . . 58 PRO C . 11207 1
614 . 1 1 58 58 PRO CA C 13 65.084 0.300 . 1 . . . . 58 PRO CA . 11207 1
615 . 1 1 58 58 PRO CB C 13 32.540 0.300 . 1 . . . . 58 PRO CB . 11207 1
616 . 1 1 58 58 PRO CD C 13 49.610 0.300 . 1 . . . . 58 PRO CD . 11207 1
617 . 1 1 58 58 PRO CG C 13 27.969 0.300 . 1 . . . . 58 PRO CG . 11207 1
618 . 1 1 59 59 ALA H H 1 7.677 0.030 . 1 . . . . 59 ALA H . 11207 1
619 . 1 1 59 59 ALA HA H 1 4.043 0.030 . 1 . . . . 59 ALA HA . 11207 1
620 . 1 1 59 59 ALA HB1 H 1 1.349 0.030 . 1 . . . . 59 ALA HB . 11207 1
621 . 1 1 59 59 ALA HB2 H 1 1.349 0.030 . 1 . . . . 59 ALA HB . 11207 1
622 . 1 1 59 59 ALA HB3 H 1 1.349 0.030 . 1 . . . . 59 ALA HB . 11207 1
623 . 1 1 59 59 ALA C C 13 178.752 0.300 . 1 . . . . 59 ALA C . 11207 1
624 . 1 1 59 59 ALA CA C 13 55.215 0.300 . 1 . . . . 59 ALA CA . 11207 1
625 . 1 1 59 59 ALA CB C 13 18.950 0.300 . 1 . . . . 59 ALA CB . 11207 1
626 . 1 1 59 59 ALA N N 15 122.210 0.300 . 1 . . . . 59 ALA N . 11207 1
627 . 1 1 60 60 ALA H H 1 8.337 0.030 . 1 . . . . 60 ALA H . 11207 1
628 . 1 1 60 60 ALA HA H 1 4.035 0.030 . 1 . . . . 60 ALA HA . 11207 1
629 . 1 1 60 60 ALA HB1 H 1 1.519 0.030 . 1 . . . . 60 ALA HB . 11207 1
630 . 1 1 60 60 ALA HB2 H 1 1.519 0.030 . 1 . . . . 60 ALA HB . 11207 1
631 . 1 1 60 60 ALA HB3 H 1 1.519 0.030 . 1 . . . . 60 ALA HB . 11207 1
632 . 1 1 60 60 ALA C C 13 182.314 0.300 . 1 . . . . 60 ALA C . 11207 1
633 . 1 1 60 60 ALA CA C 13 55.189 0.300 . 1 . . . . 60 ALA CA . 11207 1
634 . 1 1 60 60 ALA CB C 13 18.178 0.300 . 1 . . . . 60 ALA CB . 11207 1
635 . 1 1 60 60 ALA N N 15 123.432 0.300 . 1 . . . . 60 ALA N . 11207 1
636 . 1 1 61 61 ARG H H 1 7.754 0.030 . 1 . . . . 61 ARG H . 11207 1
637 . 1 1 61 61 ARG HA H 1 4.065 0.030 . 1 . . . . 61 ARG HA . 11207 1
638 . 1 1 61 61 ARG HB2 H 1 1.907 0.030 . 1 . . . . 61 ARG HB2 . 11207 1
639 . 1 1 61 61 ARG HB3 H 1 1.907 0.030 . 1 . . . . 61 ARG HB3 . 11207 1
640 . 1 1 61 61 ARG HD2 H 1 3.264 0.030 . 2 . . . . 61 ARG HD2 . 11207 1
641 . 1 1 61 61 ARG HD3 H 1 3.172 0.030 . 2 . . . . 61 ARG HD3 . 11207 1
642 . 1 1 61 61 ARG HG2 H 1 1.672 0.030 . 2 . . . . 61 ARG HG2 . 11207 1
643 . 1 1 61 61 ARG HG3 H 1 1.766 0.030 . 2 . . . . 61 ARG HG3 . 11207 1
644 . 1 1 61 61 ARG C C 13 177.578 0.300 . 1 . . . . 61 ARG C . 11207 1
645 . 1 1 61 61 ARG CA C 13 58.834 0.300 . 1 . . . . 61 ARG CA . 11207 1
646 . 1 1 61 61 ARG CB C 13 30.205 0.300 . 1 . . . . 61 ARG CB . 11207 1
647 . 1 1 61 61 ARG CD C 13 43.429 0.300 . 1 . . . . 61 ARG CD . 11207 1
648 . 1 1 61 61 ARG CG C 13 28.054 0.300 . 1 . . . . 61 ARG CG . 11207 1
649 . 1 1 61 61 ARG N N 15 117.463 0.300 . 1 . . . . 61 ARG N . 11207 1
650 . 1 1 62 62 ALA H H 1 7.476 0.030 . 1 . . . . 62 ALA H . 11207 1
651 . 1 1 62 62 ALA HA H 1 4.416 0.030 . 1 . . . . 62 ALA HA . 11207 1
652 . 1 1 62 62 ALA HB1 H 1 1.556 0.030 . 1 . . . . 62 ALA HB . 11207 1
653 . 1 1 62 62 ALA HB2 H 1 1.556 0.030 . 1 . . . . 62 ALA HB . 11207 1
654 . 1 1 62 62 ALA HB3 H 1 1.556 0.030 . 1 . . . . 62 ALA HB . 11207 1
655 . 1 1 62 62 ALA C C 13 177.319 0.300 . 1 . . . . 62 ALA C . 11207 1
656 . 1 1 62 62 ALA CA C 13 52.648 0.300 . 1 . . . . 62 ALA CA . 11207 1
657 . 1 1 62 62 ALA CB C 13 20.965 0.300 . 1 . . . . 62 ALA CB . 11207 1
658 . 1 1 62 62 ALA N N 15 119.349 0.300 . 1 . . . . 62 ALA N . 11207 1
659 . 1 1 63 63 GLY H H 1 7.568 0.030 . 1 . . . . 63 GLY H . 11207 1
660 . 1 1 63 63 GLY HA2 H 1 4.338 0.030 . 2 . . . . 63 GLY HA2 . 11207 1
661 . 1 1 63 63 GLY HA3 H 1 3.718 0.030 . 2 . . . . 63 GLY HA3 . 11207 1
662 . 1 1 63 63 GLY C C 13 174.766 0.300 . 1 . . . . 63 GLY C . 11207 1
663 . 1 1 63 63 GLY CA C 13 45.124 0.300 . 1 . . . . 63 GLY CA . 11207 1
664 . 1 1 63 63 GLY N N 15 102.964 0.300 . 1 . . . . 63 GLY N . 11207 1
665 . 1 1 64 64 VAL H H 1 7.721 0.030 . 1 . . . . 64 VAL H . 11207 1
666 . 1 1 64 64 VAL HA H 1 3.416 0.030 . 1 . . . . 64 VAL HA . 11207 1
667 . 1 1 64 64 VAL HB H 1 1.564 0.030 . 1 . . . . 64 VAL HB . 11207 1
668 . 1 1 64 64 VAL HG11 H 1 0.900 0.030 . 1 . . . . 64 VAL HG1 . 11207 1
669 . 1 1 64 64 VAL HG12 H 1 0.900 0.030 . 1 . . . . 64 VAL HG1 . 11207 1
670 . 1 1 64 64 VAL HG13 H 1 0.900 0.030 . 1 . . . . 64 VAL HG1 . 11207 1
671 . 1 1 64 64 VAL HG21 H 1 0.903 0.030 . 1 . . . . 64 VAL HG2 . 11207 1
672 . 1 1 64 64 VAL HG22 H 1 0.903 0.030 . 1 . . . . 64 VAL HG2 . 11207 1
673 . 1 1 64 64 VAL HG23 H 1 0.903 0.030 . 1 . . . . 64 VAL HG2 . 11207 1
674 . 1 1 64 64 VAL C C 13 173.811 0.300 . 1 . . . . 64 VAL C . 11207 1
675 . 1 1 64 64 VAL CA C 13 63.597 0.300 . 1 . . . . 64 VAL CA . 11207 1
676 . 1 1 64 64 VAL CB C 13 31.847 0.300 . 1 . . . . 64 VAL CB . 11207 1
677 . 1 1 64 64 VAL CG1 C 13 23.421 0.300 . 2 . . . . 64 VAL CG1 . 11207 1
678 . 1 1 64 64 VAL CG2 C 13 23.055 0.300 . 2 . . . . 64 VAL CG2 . 11207 1
679 . 1 1 64 64 VAL N N 15 121.840 0.300 . 1 . . . . 64 VAL N . 11207 1
680 . 1 1 65 65 ARG H H 1 8.556 0.030 . 1 . . . . 65 ARG H . 11207 1
681 . 1 1 65 65 ARG HA H 1 4.674 0.030 . 1 . . . . 65 ARG HA . 11207 1
682 . 1 1 65 65 ARG HB2 H 1 1.765 0.030 . 2 . . . . 65 ARG HB2 . 11207 1
683 . 1 1 65 65 ARG HB3 H 1 1.655 0.030 . 2 . . . . 65 ARG HB3 . 11207 1
684 . 1 1 65 65 ARG HD2 H 1 3.085 0.030 . 2 . . . . 65 ARG HD2 . 11207 1
685 . 1 1 65 65 ARG HD3 H 1 2.926 0.030 . 2 . . . . 65 ARG HD3 . 11207 1
686 . 1 1 65 65 ARG HG2 H 1 1.569 0.030 . 1 . . . . 65 ARG HG2 . 11207 1
687 . 1 1 65 65 ARG HG3 H 1 1.569 0.030 . 1 . . . . 65 ARG HG3 . 11207 1
688 . 1 1 65 65 ARG C C 13 175.425 0.300 . 1 . . . . 65 ARG C . 11207 1
689 . 1 1 65 65 ARG CA C 13 54.368 0.300 . 1 . . . . 65 ARG CA . 11207 1
690 . 1 1 65 65 ARG CB C 13 34.461 0.300 . 1 . . . . 65 ARG CB . 11207 1
691 . 1 1 65 65 ARG CD C 13 44.143 0.300 . 1 . . . . 65 ARG CD . 11207 1
692 . 1 1 65 65 ARG CG C 13 27.094 0.300 . 1 . . . . 65 ARG CG . 11207 1
693 . 1 1 65 65 ARG N N 15 126.015 0.300 . 1 . . . . 65 ARG N . 11207 1
694 . 1 1 66 66 VAL H H 1 8.394 0.030 . 1 . . . . 66 VAL H . 11207 1
695 . 1 1 66 66 VAL HA H 1 3.341 0.030 . 1 . . . . 66 VAL HA . 11207 1
696 . 1 1 66 66 VAL HB H 1 1.874 0.030 . 1 . . . . 66 VAL HB . 11207 1
697 . 1 1 66 66 VAL HG11 H 1 0.996 0.030 . 1 . . . . 66 VAL HG1 . 11207 1
698 . 1 1 66 66 VAL HG12 H 1 0.996 0.030 . 1 . . . . 66 VAL HG1 . 11207 1
699 . 1 1 66 66 VAL HG13 H 1 0.996 0.030 . 1 . . . . 66 VAL HG1 . 11207 1
700 . 1 1 66 66 VAL HG21 H 1 0.967 0.030 . 1 . . . . 66 VAL HG2 . 11207 1
701 . 1 1 66 66 VAL HG22 H 1 0.967 0.030 . 1 . . . . 66 VAL HG2 . 11207 1
702 . 1 1 66 66 VAL HG23 H 1 0.967 0.030 . 1 . . . . 66 VAL HG2 . 11207 1
703 . 1 1 66 66 VAL C C 13 178.101 0.300 . 1 . . . . 66 VAL C . 11207 1
704 . 1 1 66 66 VAL CA C 13 65.095 0.300 . 1 . . . . 66 VAL CA . 11207 1
705 . 1 1 66 66 VAL CB C 13 31.424 0.300 . 1 . . . . 66 VAL CB . 11207 1
706 . 1 1 66 66 VAL CG1 C 13 23.983 0.300 . 2 . . . . 66 VAL CG1 . 11207 1
707 . 1 1 66 66 VAL CG2 C 13 21.565 0.300 . 2 . . . . 66 VAL CG2 . 11207 1
708 . 1 1 66 66 VAL N N 15 120.753 0.300 . 1 . . . . 66 VAL N . 11207 1
709 . 1 1 67 67 GLY H H 1 9.633 0.030 . 1 . . . . 67 GLY H . 11207 1
710 . 1 1 67 67 GLY HA2 H 1 4.642 0.030 . 2 . . . . 67 GLY HA2 . 11207 1
711 . 1 1 67 67 GLY HA3 H 1 3.610 0.030 . 2 . . . . 67 GLY HA3 . 11207 1
712 . 1 1 67 67 GLY C C 13 174.513 0.300 . 1 . . . . 67 GLY C . 11207 1
713 . 1 1 67 67 GLY CA C 13 45.066 0.300 . 1 . . . . 67 GLY CA . 11207 1
714 . 1 1 67 67 GLY N N 15 117.593 0.300 . 1 . . . . 67 GLY N . 11207 1
715 . 1 1 68 68 ASP H H 1 7.931 0.030 . 1 . . . . 68 ASP H . 11207 1
716 . 1 1 68 68 ASP HA H 1 4.656 0.030 . 1 . . . . 68 ASP HA . 11207 1
717 . 1 1 68 68 ASP HB2 H 1 2.701 0.030 . 2 . . . . 68 ASP HB2 . 11207 1
718 . 1 1 68 68 ASP HB3 H 1 2.261 0.030 . 2 . . . . 68 ASP HB3 . 11207 1
719 . 1 1 68 68 ASP C C 13 174.752 0.300 . 1 . . . . 68 ASP C . 11207 1
720 . 1 1 68 68 ASP CA C 13 56.013 0.300 . 1 . . . . 68 ASP CA . 11207 1
721 . 1 1 68 68 ASP CB C 13 40.783 0.300 . 1 . . . . 68 ASP CB . 11207 1
722 . 1 1 68 68 ASP N N 15 123.802 0.300 . 1 . . . . 68 ASP N . 11207 1
723 . 1 1 69 69 LYS H H 1 8.934 0.030 . 1 . . . . 69 LYS H . 11207 1
724 . 1 1 69 69 LYS HA H 1 4.244 0.030 . 1 . . . . 69 LYS HA . 11207 1
725 . 1 1 69 69 LYS HB2 H 1 2.097 0.030 . 2 . . . . 69 LYS HB2 . 11207 1
726 . 1 1 69 69 LYS HB3 H 1 1.628 0.030 . 2 . . . . 69 LYS HB3 . 11207 1
727 . 1 1 69 69 LYS HD2 H 1 1.432 0.030 . 2 . . . . 69 LYS HD2 . 11207 1
728 . 1 1 69 69 LYS HD3 H 1 1.400 0.030 . 2 . . . . 69 LYS HD3 . 11207 1
729 . 1 1 69 69 LYS HE2 H 1 2.625 0.030 . 1 . . . . 69 LYS HE2 . 11207 1
730 . 1 1 69 69 LYS HE3 H 1 2.625 0.030 . 1 . . . . 69 LYS HE3 . 11207 1
731 . 1 1 69 69 LYS HG2 H 1 0.748 0.030 . 2 . . . . 69 LYS HG2 . 11207 1
732 . 1 1 69 69 LYS HG3 H 1 0.200 0.030 . 2 . . . . 69 LYS HG3 . 11207 1
733 . 1 1 69 69 LYS C C 13 175.950 0.300 . 1 . . . . 69 LYS C . 11207 1
734 . 1 1 69 69 LYS CA C 13 55.077 0.300 . 1 . . . . 69 LYS CA . 11207 1
735 . 1 1 69 69 LYS CB C 13 35.321 0.300 . 1 . . . . 69 LYS CB . 11207 1
736 . 1 1 69 69 LYS CD C 13 30.153 0.300 . 1 . . . . 69 LYS CD . 11207 1
737 . 1 1 69 69 LYS CE C 13 41.971 0.300 . 1 . . . . 69 LYS CE . 11207 1
738 . 1 1 69 69 LYS CG C 13 24.871 0.300 . 1 . . . . 69 LYS CG . 11207 1
739 . 1 1 69 69 LYS N N 15 124.449 0.300 . 1 . . . . 69 LYS N . 11207 1
740 . 1 1 70 70 LEU H H 1 8.983 0.030 . 1 . . . . 70 LEU H . 11207 1
741 . 1 1 70 70 LEU HA H 1 4.247 0.030 . 1 . . . . 70 LEU HA . 11207 1
742 . 1 1 70 70 LEU HB2 H 1 1.377 0.030 . 2 . . . . 70 LEU HB2 . 11207 1
743 . 1 1 70 70 LEU HB3 H 1 1.101 0.030 . 2 . . . . 70 LEU HB3 . 11207 1
744 . 1 1 70 70 LEU HD11 H 1 0.737 0.030 . 1 . . . . 70 LEU HD1 . 11207 1
745 . 1 1 70 70 LEU HD12 H 1 0.737 0.030 . 1 . . . . 70 LEU HD1 . 11207 1
746 . 1 1 70 70 LEU HD13 H 1 0.737 0.030 . 1 . . . . 70 LEU HD1 . 11207 1
747 . 1 1 70 70 LEU HD21 H 1 0.592 0.030 . 1 . . . . 70 LEU HD2 . 11207 1
748 . 1 1 70 70 LEU HD22 H 1 0.592 0.030 . 1 . . . . 70 LEU HD2 . 11207 1
749 . 1 1 70 70 LEU HD23 H 1 0.592 0.030 . 1 . . . . 70 LEU HD2 . 11207 1
750 . 1 1 70 70 LEU HG H 1 1.316 0.030 . 1 . . . . 70 LEU HG . 11207 1
751 . 1 1 70 70 LEU C C 13 174.363 0.300 . 1 . . . . 70 LEU C . 11207 1
752 . 1 1 70 70 LEU CA C 13 55.197 0.300 . 1 . . . . 70 LEU CA . 11207 1
753 . 1 1 70 70 LEU CB C 13 42.740 0.300 . 1 . . . . 70 LEU CB . 11207 1
754 . 1 1 70 70 LEU CD1 C 13 24.573 0.300 . 2 . . . . 70 LEU CD1 . 11207 1
755 . 1 1 70 70 LEU CD2 C 13 25.285 0.300 . 2 . . . . 70 LEU CD2 . 11207 1
756 . 1 1 70 70 LEU CG C 13 27.344 0.300 . 1 . . . . 70 LEU CG . 11207 1
757 . 1 1 70 70 LEU N N 15 128.308 0.300 . 1 . . . . 70 LEU N . 11207 1
758 . 1 1 71 71 LEU H H 1 8.848 0.030 . 1 . . . . 71 LEU H . 11207 1
759 . 1 1 71 71 LEU HA H 1 4.376 0.030 . 1 . . . . 71 LEU HA . 11207 1
760 . 1 1 71 71 LEU HB2 H 1 1.449 0.030 . 1 . . . . 71 LEU HB2 . 11207 1
761 . 1 1 71 71 LEU HB3 H 1 1.449 0.030 . 1 . . . . 71 LEU HB3 . 11207 1
762 . 1 1 71 71 LEU HD11 H 1 0.816 0.030 . 1 . . . . 71 LEU HD1 . 11207 1
763 . 1 1 71 71 LEU HD12 H 1 0.816 0.030 . 1 . . . . 71 LEU HD1 . 11207 1
764 . 1 1 71 71 LEU HD13 H 1 0.816 0.030 . 1 . . . . 71 LEU HD1 . 11207 1
765 . 1 1 71 71 LEU HD21 H 1 0.643 0.030 . 1 . . . . 71 LEU HD2 . 11207 1
766 . 1 1 71 71 LEU HD22 H 1 0.643 0.030 . 1 . . . . 71 LEU HD2 . 11207 1
767 . 1 1 71 71 LEU HD23 H 1 0.643 0.030 . 1 . . . . 71 LEU HD2 . 11207 1
768 . 1 1 71 71 LEU HG H 1 1.652 0.030 . 1 . . . . 71 LEU HG . 11207 1
769 . 1 1 71 71 LEU C C 13 178.774 0.300 . 1 . . . . 71 LEU C . 11207 1
770 . 1 1 71 71 LEU CA C 13 55.533 0.300 . 1 . . . . 71 LEU CA . 11207 1
771 . 1 1 71 71 LEU CB C 13 42.831 0.300 . 1 . . . . 71 LEU CB . 11207 1
772 . 1 1 71 71 LEU CD1 C 13 25.831 0.300 . 2 . . . . 71 LEU CD1 . 11207 1
773 . 1 1 71 71 LEU CD2 C 13 21.804 0.300 . 2 . . . . 71 LEU CD2 . 11207 1
774 . 1 1 71 71 LEU CG C 13 26.776 0.300 . 1 . . . . 71 LEU CG . 11207 1
775 . 1 1 71 71 LEU N N 15 123.143 0.300 . 1 . . . . 71 LEU N . 11207 1
776 . 1 1 72 72 GLU H H 1 7.702 0.030 . 1 . . . . 72 GLU H . 11207 1
777 . 1 1 72 72 GLU HA H 1 5.117 0.030 . 1 . . . . 72 GLU HA . 11207 1
778 . 1 1 72 72 GLU HB2 H 1 1.945 0.030 . 2 . . . . 72 GLU HB2 . 11207 1
779 . 1 1 72 72 GLU HB3 H 1 1.683 0.030 . 2 . . . . 72 GLU HB3 . 11207 1
780 . 1 1 72 72 GLU HG2 H 1 1.872 0.030 . 1 . . . . 72 GLU HG2 . 11207 1
781 . 1 1 72 72 GLU HG3 H 1 1.872 0.030 . 1 . . . . 72 GLU HG3 . 11207 1
782 . 1 1 72 72 GLU C C 13 174.853 0.300 . 1 . . . . 72 GLU C . 11207 1
783 . 1 1 72 72 GLU CA C 13 55.319 0.300 . 1 . . . . 72 GLU CA . 11207 1
784 . 1 1 72 72 GLU CB C 13 35.140 0.300 . 1 . . . . 72 GLU CB . 11207 1
785 . 1 1 72 72 GLU CG C 13 36.451 0.300 . 1 . . . . 72 GLU CG . 11207 1
786 . 1 1 72 72 GLU N N 15 118.119 0.300 . 1 . . . . 72 GLU N . 11207 1
787 . 1 1 73 73 VAL H H 1 8.176 0.030 . 1 . . . . 73 VAL H . 11207 1
788 . 1 1 73 73 VAL HA H 1 4.730 0.030 . 1 . . . . 73 VAL HA . 11207 1
789 . 1 1 73 73 VAL HB H 1 1.743 0.030 . 1 . . . . 73 VAL HB . 11207 1
790 . 1 1 73 73 VAL HG11 H 1 0.722 0.030 . 1 . . . . 73 VAL HG1 . 11207 1
791 . 1 1 73 73 VAL HG12 H 1 0.722 0.030 . 1 . . . . 73 VAL HG1 . 11207 1
792 . 1 1 73 73 VAL HG13 H 1 0.722 0.030 . 1 . . . . 73 VAL HG1 . 11207 1
793 . 1 1 73 73 VAL HG21 H 1 0.788 0.030 . 1 . . . . 73 VAL HG2 . 11207 1
794 . 1 1 73 73 VAL HG22 H 1 0.788 0.030 . 1 . . . . 73 VAL HG2 . 11207 1
795 . 1 1 73 73 VAL HG23 H 1 0.788 0.030 . 1 . . . . 73 VAL HG2 . 11207 1
796 . 1 1 73 73 VAL C C 13 175.192 0.300 . 1 . . . . 73 VAL C . 11207 1
797 . 1 1 73 73 VAL CA C 13 60.856 0.300 . 1 . . . . 73 VAL CA . 11207 1
798 . 1 1 73 73 VAL CB C 13 35.140 0.300 . 1 . . . . 73 VAL CB . 11207 1
799 . 1 1 73 73 VAL CG1 C 13 21.179 0.300 . 2 . . . . 73 VAL CG1 . 11207 1
800 . 1 1 73 73 VAL CG2 C 13 22.975 0.300 . 2 . . . . 73 VAL CG2 . 11207 1
801 . 1 1 73 73 VAL N N 15 121.681 0.300 . 1 . . . . 73 VAL N . 11207 1
802 . 1 1 74 74 ASN H H 1 9.687 0.030 . 1 . . . . 74 ASN H . 11207 1
803 . 1 1 74 74 ASN HA H 1 4.493 0.030 . 1 . . . . 74 ASN HA . 11207 1
804 . 1 1 74 74 ASN HB2 H 1 3.262 0.030 . 2 . . . . 74 ASN HB2 . 11207 1
805 . 1 1 74 74 ASN HB3 H 1 2.754 0.030 . 2 . . . . 74 ASN HB3 . 11207 1
806 . 1 1 74 74 ASN HD21 H 1 6.937 0.030 . 2 . . . . 74 ASN HD21 . 11207 1
807 . 1 1 74 74 ASN HD22 H 1 7.979 0.030 . 2 . . . . 74 ASN HD22 . 11207 1
808 . 1 1 74 74 ASN C C 13 175.022 0.300 . 1 . . . . 74 ASN C . 11207 1
809 . 1 1 74 74 ASN CA C 13 54.242 0.300 . 1 . . . . 74 ASN CA . 11207 1
810 . 1 1 74 74 ASN CB C 13 37.108 0.300 . 1 . . . . 74 ASN CB . 11207 1
811 . 1 1 74 74 ASN N N 15 128.177 0.300 . 1 . . . . 74 ASN N . 11207 1
812 . 1 1 74 74 ASN ND2 N 15 111.950 0.300 . 1 . . . . 74 ASN ND2 . 11207 1
813 . 1 1 75 75 GLY H H 1 8.689 0.030 . 1 . . . . 75 GLY H . 11207 1
814 . 1 1 75 75 GLY HA2 H 1 4.059 0.030 . 2 . . . . 75 GLY HA2 . 11207 1
815 . 1 1 75 75 GLY HA3 H 1 3.681 0.030 . 2 . . . . 75 GLY HA3 . 11207 1
816 . 1 1 75 75 GLY C C 13 173.851 0.300 . 1 . . . . 75 GLY C . 11207 1
817 . 1 1 75 75 GLY CA C 13 45.525 0.300 . 1 . . . . 75 GLY CA . 11207 1
818 . 1 1 75 75 GLY N N 15 103.267 0.300 . 1 . . . . 75 GLY N . 11207 1
819 . 1 1 76 76 VAL H H 1 8.109 0.030 . 1 . . . . 76 VAL H . 11207 1
820 . 1 1 76 76 VAL HA H 1 3.998 0.030 . 1 . . . . 76 VAL HA . 11207 1
821 . 1 1 76 76 VAL HB H 1 2.213 0.030 . 1 . . . . 76 VAL HB . 11207 1
822 . 1 1 76 76 VAL HG11 H 1 0.937 0.030 . 1 . . . . 76 VAL HG1 . 11207 1
823 . 1 1 76 76 VAL HG12 H 1 0.937 0.030 . 1 . . . . 76 VAL HG1 . 11207 1
824 . 1 1 76 76 VAL HG13 H 1 0.937 0.030 . 1 . . . . 76 VAL HG1 . 11207 1
825 . 1 1 76 76 VAL HG21 H 1 0.834 0.030 . 1 . . . . 76 VAL HG2 . 11207 1
826 . 1 1 76 76 VAL HG22 H 1 0.834 0.030 . 1 . . . . 76 VAL HG2 . 11207 1
827 . 1 1 76 76 VAL HG23 H 1 0.834 0.030 . 1 . . . . 76 VAL HG2 . 11207 1
828 . 1 1 76 76 VAL C C 13 175.089 0.300 . 1 . . . . 76 VAL C . 11207 1
829 . 1 1 76 76 VAL CA C 13 62.172 0.300 . 1 . . . . 76 VAL CA . 11207 1
830 . 1 1 76 76 VAL CB C 13 32.085 0.300 . 1 . . . . 76 VAL CB . 11207 1
831 . 1 1 76 76 VAL CG1 C 13 21.088 0.300 . 2 . . . . 76 VAL CG1 . 11207 1
832 . 1 1 76 76 VAL CG2 C 13 20.825 0.300 . 2 . . . . 76 VAL CG2 . 11207 1
833 . 1 1 76 76 VAL N N 15 123.496 0.300 . 1 . . . . 76 VAL N . 11207 1
834 . 1 1 77 77 ALA H H 1 8.597 0.030 . 1 . . . . 77 ALA H . 11207 1
835 . 1 1 77 77 ALA HA H 1 4.418 0.030 . 1 . . . . 77 ALA HA . 11207 1
836 . 1 1 77 77 ALA HB1 H 1 1.533 0.030 . 1 . . . . 77 ALA HB . 11207 1
837 . 1 1 77 77 ALA HB2 H 1 1.533 0.030 . 1 . . . . 77 ALA HB . 11207 1
838 . 1 1 77 77 ALA HB3 H 1 1.533 0.030 . 1 . . . . 77 ALA HB . 11207 1
839 . 1 1 77 77 ALA C C 13 178.527 0.300 . 1 . . . . 77 ALA C . 11207 1
840 . 1 1 77 77 ALA CA C 13 52.799 0.300 . 1 . . . . 77 ALA CA . 11207 1
841 . 1 1 77 77 ALA CB C 13 19.201 0.300 . 1 . . . . 77 ALA CB . 11207 1
842 . 1 1 77 77 ALA N N 15 130.848 0.300 . 1 . . . . 77 ALA N . 11207 1
843 . 1 1 78 78 LEU H H 1 7.975 0.030 . 1 . . . . 78 LEU H . 11207 1
844 . 1 1 78 78 LEU HA H 1 4.483 0.030 . 1 . . . . 78 LEU HA . 11207 1
845 . 1 1 78 78 LEU HB2 H 1 1.565 0.030 . 2 . . . . 78 LEU HB2 . 11207 1
846 . 1 1 78 78 LEU HB3 H 1 1.213 0.030 . 2 . . . . 78 LEU HB3 . 11207 1
847 . 1 1 78 78 LEU HD11 H 1 0.617 0.030 . 1 . . . . 78 LEU HD1 . 11207 1
848 . 1 1 78 78 LEU HD12 H 1 0.617 0.030 . 1 . . . . 78 LEU HD1 . 11207 1
849 . 1 1 78 78 LEU HD13 H 1 0.617 0.030 . 1 . . . . 78 LEU HD1 . 11207 1
850 . 1 1 78 78 LEU HD21 H 1 0.526 0.030 . 1 . . . . 78 LEU HD2 . 11207 1
851 . 1 1 78 78 LEU HD22 H 1 0.526 0.030 . 1 . . . . 78 LEU HD2 . 11207 1
852 . 1 1 78 78 LEU HD23 H 1 0.526 0.030 . 1 . . . . 78 LEU HD2 . 11207 1
853 . 1 1 78 78 LEU HG H 1 1.561 0.030 . 1 . . . . 78 LEU HG . 11207 1
854 . 1 1 78 78 LEU C C 13 177.334 0.300 . 1 . . . . 78 LEU C . 11207 1
855 . 1 1 78 78 LEU CA C 13 53.725 0.300 . 1 . . . . 78 LEU CA . 11207 1
856 . 1 1 78 78 LEU CB C 13 42.529 0.300 . 1 . . . . 78 LEU CB . 11207 1
857 . 1 1 78 78 LEU CD1 C 13 26.880 0.300 . 2 . . . . 78 LEU CD1 . 11207 1
858 . 1 1 78 78 LEU CD2 C 13 22.571 0.300 . 2 . . . . 78 LEU CD2 . 11207 1
859 . 1 1 78 78 LEU CG C 13 26.327 0.300 . 1 . . . . 78 LEU CG . 11207 1
860 . 1 1 78 78 LEU N N 15 120.083 0.300 . 1 . . . . 78 LEU N . 11207 1
861 . 1 1 79 79 GLN H H 1 7.859 0.030 . 1 . . . . 79 GLN H . 11207 1
862 . 1 1 79 79 GLN HA H 1 4.227 0.030 . 1 . . . . 79 GLN HA . 11207 1
863 . 1 1 79 79 GLN HB2 H 1 2.100 0.030 . 2 . . . . 79 GLN HB2 . 11207 1
864 . 1 1 79 79 GLN HB3 H 1 1.994 0.030 . 2 . . . . 79 GLN HB3 . 11207 1
865 . 1 1 79 79 GLN HE21 H 1 7.554 0.030 . 2 . . . . 79 GLN HE21 . 11207 1
866 . 1 1 79 79 GLN HE22 H 1 6.856 0.030 . 2 . . . . 79 GLN HE22 . 11207 1
867 . 1 1 79 79 GLN HG2 H 1 2.338 0.030 . 1 . . . . 79 GLN HG2 . 11207 1
868 . 1 1 79 79 GLN HG3 H 1 2.338 0.030 . 1 . . . . 79 GLN HG3 . 11207 1
869 . 1 1 79 79 GLN C C 13 176.957 0.300 . 1 . . . . 79 GLN C . 11207 1
870 . 1 1 79 79 GLN CA C 13 58.143 0.300 . 1 . . . . 79 GLN CA . 11207 1
871 . 1 1 79 79 GLN CB C 13 27.907 0.300 . 1 . . . . 79 GLN CB . 11207 1
872 . 1 1 79 79 GLN CG C 13 33.906 0.300 . 1 . . . . 79 GLN CG . 11207 1
873 . 1 1 79 79 GLN N N 15 122.675 0.300 . 1 . . . . 79 GLN N . 11207 1
874 . 1 1 79 79 GLN NE2 N 15 112.003 0.300 . 1 . . . . 79 GLN NE2 . 11207 1
875 . 1 1 80 80 GLY H H 1 8.946 0.030 . 1 . . . . 80 GLY H . 11207 1
876 . 1 1 80 80 GLY HA2 H 1 4.035 0.030 . 2 . . . . 80 GLY HA2 . 11207 1
877 . 1 1 80 80 GLY HA3 H 1 3.818 0.030 . 2 . . . . 80 GLY HA3 . 11207 1
878 . 1 1 80 80 GLY C C 13 173.595 0.300 . 1 . . . . 80 GLY C . 11207 1
879 . 1 1 80 80 GLY CA C 13 45.629 0.300 . 1 . . . . 80 GLY CA . 11207 1
880 . 1 1 80 80 GLY N N 15 116.109 0.300 . 1 . . . . 80 GLY N . 11207 1
881 . 1 1 81 81 ALA H H 1 7.381 0.030 . 1 . . . . 81 ALA H . 11207 1
882 . 1 1 81 81 ALA HA H 1 4.342 0.030 . 1 . . . . 81 ALA HA . 11207 1
883 . 1 1 81 81 ALA HB1 H 1 1.332 0.030 . 1 . . . . 81 ALA HB . 11207 1
884 . 1 1 81 81 ALA HB2 H 1 1.332 0.030 . 1 . . . . 81 ALA HB . 11207 1
885 . 1 1 81 81 ALA HB3 H 1 1.332 0.030 . 1 . . . . 81 ALA HB . 11207 1
886 . 1 1 81 81 ALA C C 13 179.560 0.300 . 1 . . . . 81 ALA C . 11207 1
887 . 1 1 81 81 ALA CA C 13 52.150 0.300 . 1 . . . . 81 ALA CA . 11207 1
888 . 1 1 81 81 ALA CB C 13 20.168 0.300 . 1 . . . . 81 ALA CB . 11207 1
889 . 1 1 81 81 ALA N N 15 120.471 0.300 . 1 . . . . 81 ALA N . 11207 1
890 . 1 1 82 82 GLU H H 1 9.087 0.030 . 1 . . . . 82 GLU H . 11207 1
891 . 1 1 82 82 GLU HA H 1 4.566 0.030 . 1 . . . . 82 GLU HA . 11207 1
892 . 1 1 82 82 GLU HB2 H 1 2.455 0.030 . 2 . . . . 82 GLU HB2 . 11207 1
893 . 1 1 82 82 GLU HB3 H 1 1.705 0.030 . 2 . . . . 82 GLU HB3 . 11207 1
894 . 1 1 82 82 GLU HG2 H 1 2.495 0.030 . 1 . . . . 82 GLU HG2 . 11207 1
895 . 1 1 82 82 GLU HG3 H 1 2.495 0.030 . 1 . . . . 82 GLU HG3 . 11207 1
896 . 1 1 82 82 GLU C C 13 177.620 0.300 . 1 . . . . 82 GLU C . 11207 1
897 . 1 1 82 82 GLU CA C 13 56.346 0.300 . 1 . . . . 82 GLU CA . 11207 1
898 . 1 1 82 82 GLU CB C 13 31.944 0.300 . 1 . . . . 82 GLU CB . 11207 1
899 . 1 1 82 82 GLU CG C 13 37.598 0.300 . 1 . . . . 82 GLU CG . 11207 1
900 . 1 1 82 82 GLU N N 15 120.582 0.300 . 1 . . . . 82 GLU N . 11207 1
901 . 1 1 83 83 HIS H H 1 9.742 0.030 . 1 . . . . 83 HIS H . 11207 1
902 . 1 1 83 83 HIS HA H 1 3.798 0.030 . 1 . . . . 83 HIS HA . 11207 1
903 . 1 1 83 83 HIS HB2 H 1 3.646 0.030 . 2 . . . . 83 HIS HB2 . 11207 1
904 . 1 1 83 83 HIS HB3 H 1 3.233 0.030 . 2 . . . . 83 HIS HB3 . 11207 1
905 . 1 1 83 83 HIS HD2 H 1 6.807 0.030 . 1 . . . . 83 HIS HD2 . 11207 1
906 . 1 1 83 83 HIS HE1 H 1 7.635 0.030 . 1 . . . . 83 HIS HE1 . 11207 1
907 . 1 1 83 83 HIS C C 13 177.959 0.300 . 1 . . . . 83 HIS C . 11207 1
908 . 1 1 83 83 HIS CA C 13 62.322 0.300 . 1 . . . . 83 HIS CA . 11207 1
909 . 1 1 83 83 HIS CB C 13 29.527 0.300 . 1 . . . . 83 HIS CB . 11207 1
910 . 1 1 83 83 HIS CD2 C 13 123.260 0.300 . 1 . . . . 83 HIS CD2 . 11207 1
911 . 1 1 83 83 HIS CE1 C 13 137.483 0.300 . 1 . . . . 83 HIS CE1 . 11207 1
912 . 1 1 83 83 HIS N N 15 123.803 0.300 . 1 . . . . 83 HIS N . 11207 1
913 . 1 1 84 84 HIS H H 1 8.712 0.030 . 1 . . . . 84 HIS H . 11207 1
914 . 1 1 84 84 HIS HA H 1 4.297 0.030 . 1 . . . . 84 HIS HA . 11207 1
915 . 1 1 84 84 HIS HB2 H 1 3.337 0.030 . 2 . . . . 84 HIS HB2 . 11207 1
916 . 1 1 84 84 HIS HB3 H 1 3.242 0.030 . 2 . . . . 84 HIS HB3 . 11207 1
917 . 1 1 84 84 HIS HD2 H 1 7.211 0.030 . 1 . . . . 84 HIS HD2 . 11207 1
918 . 1 1 84 84 HIS HE1 H 1 7.948 0.030 . 1 . . . . 84 HIS HE1 . 11207 1
919 . 1 1 84 84 HIS C C 13 177.343 0.300 . 1 . . . . 84 HIS C . 11207 1
920 . 1 1 84 84 HIS CA C 13 59.365 0.300 . 1 . . . . 84 HIS CA . 11207 1
921 . 1 1 84 84 HIS CB C 13 29.396 0.300 . 1 . . . . 84 HIS CB . 11207 1
922 . 1 1 84 84 HIS CD2 C 13 119.419 0.300 . 1 . . . . 84 HIS CD2 . 11207 1
923 . 1 1 84 84 HIS CE1 C 13 138.762 0.300 . 1 . . . . 84 HIS CE1 . 11207 1
924 . 1 1 84 84 HIS N N 15 112.919 0.300 . 1 . . . . 84 HIS N . 11207 1
925 . 1 1 85 85 GLU H H 1 6.755 0.030 . 1 . . . . 85 GLU H . 11207 1
926 . 1 1 85 85 GLU HA H 1 3.929 0.030 . 1 . . . . 85 GLU HA . 11207 1
927 . 1 1 85 85 GLU HB2 H 1 2.221 0.030 . 2 . . . . 85 GLU HB2 . 11207 1
928 . 1 1 85 85 GLU HB3 H 1 1.881 0.030 . 2 . . . . 85 GLU HB3 . 11207 1
929 . 1 1 85 85 GLU HG2 H 1 1.666 0.030 . 2 . . . . 85 GLU HG2 . 11207 1
930 . 1 1 85 85 GLU HG3 H 1 2.020 0.030 . 2 . . . . 85 GLU HG3 . 11207 1
931 . 1 1 85 85 GLU C C 13 179.617 0.300 . 1 . . . . 85 GLU C . 11207 1
932 . 1 1 85 85 GLU CA C 13 58.507 0.300 . 1 . . . . 85 GLU CA . 11207 1
933 . 1 1 85 85 GLU CB C 13 29.787 0.300 . 1 . . . . 85 GLU CB . 11207 1
934 . 1 1 85 85 GLU CG C 13 37.422 0.300 . 1 . . . . 85 GLU CG . 11207 1
935 . 1 1 85 85 GLU N N 15 119.718 0.300 . 1 . . . . 85 GLU N . 11207 1
936 . 1 1 86 86 ALA H H 1 7.351 0.030 . 1 . . . . 86 ALA H . 11207 1
937 . 1 1 86 86 ALA HA H 1 3.922 0.030 . 1 . . . . 86 ALA HA . 11207 1
938 . 1 1 86 86 ALA HB1 H 1 1.216 0.030 . 1 . . . . 86 ALA HB . 11207 1
939 . 1 1 86 86 ALA HB2 H 1 1.216 0.030 . 1 . . . . 86 ALA HB . 11207 1
940 . 1 1 86 86 ALA HB3 H 1 1.216 0.030 . 1 . . . . 86 ALA HB . 11207 1
941 . 1 1 86 86 ALA C C 13 177.994 0.300 . 1 . . . . 86 ALA C . 11207 1
942 . 1 1 86 86 ALA CA C 13 54.734 0.300 . 1 . . . . 86 ALA CA . 11207 1
943 . 1 1 86 86 ALA CB C 13 19.334 0.300 . 1 . . . . 86 ALA CB . 11207 1
944 . 1 1 86 86 ALA N N 15 122.434 0.300 . 1 . . . . 86 ALA N . 11207 1
945 . 1 1 87 87 VAL H H 1 7.688 0.030 . 1 . . . . 87 VAL H . 11207 1
946 . 1 1 87 87 VAL HA H 1 3.314 0.030 . 1 . . . . 87 VAL HA . 11207 1
947 . 1 1 87 87 VAL HB H 1 2.113 0.030 . 1 . . . . 87 VAL HB . 11207 1
948 . 1 1 87 87 VAL HG11 H 1 0.899 0.030 . 1 . . . . 87 VAL HG1 . 11207 1
949 . 1 1 87 87 VAL HG12 H 1 0.899 0.030 . 1 . . . . 87 VAL HG1 . 11207 1
950 . 1 1 87 87 VAL HG13 H 1 0.899 0.030 . 1 . . . . 87 VAL HG1 . 11207 1
951 . 1 1 87 87 VAL HG21 H 1 0.939 0.030 . 1 . . . . 87 VAL HG2 . 11207 1
952 . 1 1 87 87 VAL HG22 H 1 0.939 0.030 . 1 . . . . 87 VAL HG2 . 11207 1
953 . 1 1 87 87 VAL HG23 H 1 0.939 0.030 . 1 . . . . 87 VAL HG2 . 11207 1
954 . 1 1 87 87 VAL C C 13 179.324 0.300 . 1 . . . . 87 VAL C . 11207 1
955 . 1 1 87 87 VAL CA C 13 67.133 0.300 . 1 . . . . 87 VAL CA . 11207 1
956 . 1 1 87 87 VAL CB C 13 31.921 0.300 . 1 . . . . 87 VAL CB . 11207 1
957 . 1 1 87 87 VAL CG1 C 13 23.356 0.300 . 2 . . . . 87 VAL CG1 . 11207 1
958 . 1 1 87 87 VAL CG2 C 13 21.155 0.300 . 2 . . . . 87 VAL CG2 . 11207 1
959 . 1 1 87 87 VAL N N 15 117.783 0.300 . 1 . . . . 87 VAL N . 11207 1
960 . 1 1 88 88 GLU H H 1 7.970 0.030 . 1 . . . . 88 GLU H . 11207 1
961 . 1 1 88 88 GLU HA H 1 4.058 0.030 . 1 . . . . 88 GLU HA . 11207 1
962 . 1 1 88 88 GLU HB2 H 1 2.072 0.030 . 2 . . . . 88 GLU HB2 . 11207 1
963 . 1 1 88 88 GLU HB3 H 1 2.007 0.030 . 2 . . . . 88 GLU HB3 . 11207 1
964 . 1 1 88 88 GLU HG2 H 1 2.332 0.030 . 1 . . . . 88 GLU HG2 . 11207 1
965 . 1 1 88 88 GLU HG3 H 1 2.332 0.030 . 1 . . . . 88 GLU HG3 . 11207 1
966 . 1 1 88 88 GLU C C 13 179.006 0.300 . 1 . . . . 88 GLU C . 11207 1
967 . 1 1 88 88 GLU CA C 13 58.859 0.300 . 1 . . . . 88 GLU CA . 11207 1
968 . 1 1 88 88 GLU CB C 13 29.155 0.300 . 1 . . . . 88 GLU CB . 11207 1
969 . 1 1 88 88 GLU CG C 13 35.878 0.300 . 1 . . . . 88 GLU CG . 11207 1
970 . 1 1 88 88 GLU N N 15 118.624 0.300 . 1 . . . . 88 GLU N . 11207 1
971 . 1 1 89 89 ALA H H 1 7.810 0.030 . 1 . . . . 89 ALA H . 11207 1
972 . 1 1 89 89 ALA HA H 1 4.132 0.030 . 1 . . . . 89 ALA HA . 11207 1
973 . 1 1 89 89 ALA HB1 H 1 1.408 0.030 . 1 . . . . 89 ALA HB . 11207 1
974 . 1 1 89 89 ALA HB2 H 1 1.408 0.030 . 1 . . . . 89 ALA HB . 11207 1
975 . 1 1 89 89 ALA HB3 H 1 1.408 0.030 . 1 . . . . 89 ALA HB . 11207 1
976 . 1 1 89 89 ALA C C 13 180.163 0.300 . 1 . . . . 89 ALA C . 11207 1
977 . 1 1 89 89 ALA CA C 13 54.754 0.300 . 1 . . . . 89 ALA CA . 11207 1
978 . 1 1 89 89 ALA CB C 13 17.472 0.300 . 1 . . . . 89 ALA CB . 11207 1
979 . 1 1 89 89 ALA N N 15 122.677 0.300 . 1 . . . . 89 ALA N . 11207 1
980 . 1 1 90 90 LEU H H 1 7.782 0.030 . 1 . . . . 90 LEU H . 11207 1
981 . 1 1 90 90 LEU HA H 1 3.849 0.030 . 1 . . . . 90 LEU HA . 11207 1
982 . 1 1 90 90 LEU HB2 H 1 1.915 0.030 . 2 . . . . 90 LEU HB2 . 11207 1
983 . 1 1 90 90 LEU HB3 H 1 1.384 0.030 . 2 . . . . 90 LEU HB3 . 11207 1
984 . 1 1 90 90 LEU HD11 H 1 0.665 0.030 . 1 . . . . 90 LEU HD1 . 11207 1
985 . 1 1 90 90 LEU HD12 H 1 0.665 0.030 . 1 . . . . 90 LEU HD1 . 11207 1
986 . 1 1 90 90 LEU HD13 H 1 0.665 0.030 . 1 . . . . 90 LEU HD1 . 11207 1
987 . 1 1 90 90 LEU HD21 H 1 0.645 0.030 . 1 . . . . 90 LEU HD2 . 11207 1
988 . 1 1 90 90 LEU HD22 H 1 0.645 0.030 . 1 . . . . 90 LEU HD2 . 11207 1
989 . 1 1 90 90 LEU HD23 H 1 0.645 0.030 . 1 . . . . 90 LEU HD2 . 11207 1
990 . 1 1 90 90 LEU HG H 1 1.643 0.030 . 1 . . . . 90 LEU HG . 11207 1
991 . 1 1 90 90 LEU C C 13 178.600 0.300 . 1 . . . . 90 LEU C . 11207 1
992 . 1 1 90 90 LEU CA C 13 57.581 0.300 . 1 . . . . 90 LEU CA . 11207 1
993 . 1 1 90 90 LEU CB C 13 41.807 0.300 . 1 . . . . 90 LEU CB . 11207 1
994 . 1 1 90 90 LEU CD1 C 13 25.567 0.300 . 2 . . . . 90 LEU CD1 . 11207 1
995 . 1 1 90 90 LEU CD2 C 13 23.785 0.300 . 2 . . . . 90 LEU CD2 . 11207 1
996 . 1 1 90 90 LEU CG C 13 27.134 0.300 . 1 . . . . 90 LEU CG . 11207 1
997 . 1 1 90 90 LEU N N 15 116.438 0.300 . 1 . . . . 90 LEU N . 11207 1
998 . 1 1 91 91 ARG H H 1 8.068 0.030 . 1 . . . . 91 ARG H . 11207 1
999 . 1 1 91 91 ARG HA H 1 4.132 0.030 . 1 . . . . 91 ARG HA . 11207 1
1000 . 1 1 91 91 ARG HB2 H 1 1.913 0.030 . 1 . . . . 91 ARG HB2 . 11207 1
1001 . 1 1 91 91 ARG HB3 H 1 1.913 0.030 . 1 . . . . 91 ARG HB3 . 11207 1
1002 . 1 1 91 91 ARG HD2 H 1 3.216 0.030 . 2 . . . . 91 ARG HD2 . 11207 1
1003 . 1 1 91 91 ARG HD3 H 1 3.157 0.030 . 2 . . . . 91 ARG HD3 . 11207 1
1004 . 1 1 91 91 ARG HG2 H 1 1.762 0.030 . 2 . . . . 91 ARG HG2 . 11207 1
1005 . 1 1 91 91 ARG HG3 H 1 1.652 0.030 . 2 . . . . 91 ARG HG3 . 11207 1
1006 . 1 1 91 91 ARG C C 13 178.269 0.300 . 1 . . . . 91 ARG C . 11207 1
1007 . 1 1 91 91 ARG CA C 13 58.719 0.300 . 1 . . . . 91 ARG CA . 11207 1
1008 . 1 1 91 91 ARG CB C 13 30.543 0.300 . 1 . . . . 91 ARG CB . 11207 1
1009 . 1 1 91 91 ARG CD C 13 43.543 0.300 . 1 . . . . 91 ARG CD . 11207 1
1010 . 1 1 91 91 ARG CG C 13 27.149 0.300 . 1 . . . . 91 ARG CG . 11207 1
1011 . 1 1 91 91 ARG N N 15 120.179 0.300 . 1 . . . . 91 ARG N . 11207 1
1012 . 1 1 92 92 GLY H H 1 7.941 0.030 . 1 . . . . 92 GLY H . 11207 1
1013 . 1 1 92 92 GLY HA2 H 1 4.145 0.030 . 2 . . . . 92 GLY HA2 . 11207 1
1014 . 1 1 92 92 GLY HA3 H 1 3.828 0.030 . 2 . . . . 92 GLY HA3 . 11207 1
1015 . 1 1 92 92 GLY C C 13 174.242 0.300 . 1 . . . . 92 GLY C . 11207 1
1016 . 1 1 92 92 GLY CA C 13 45.297 0.300 . 1 . . . . 92 GLY CA . 11207 1
1017 . 1 1 92 92 GLY N N 15 105.021 0.300 . 1 . . . . 92 GLY N . 11207 1
1018 . 1 1 93 93 ALA H H 1 7.158 0.030 . 1 . . . . 93 ALA H . 11207 1
1019 . 1 1 93 93 ALA HA H 1 4.253 0.030 . 1 . . . . 93 ALA HA . 11207 1
1020 . 1 1 93 93 ALA HB1 H 1 1.483 0.030 . 1 . . . . 93 ALA HB . 11207 1
1021 . 1 1 93 93 ALA HB2 H 1 1.483 0.030 . 1 . . . . 93 ALA HB . 11207 1
1022 . 1 1 93 93 ALA HB3 H 1 1.483 0.030 . 1 . . . . 93 ALA HB . 11207 1
1023 . 1 1 93 93 ALA C C 13 176.976 0.300 . 1 . . . . 93 ALA C . 11207 1
1024 . 1 1 93 93 ALA CA C 13 52.938 0.300 . 1 . . . . 93 ALA CA . 11207 1
1025 . 1 1 93 93 ALA CB C 13 20.431 0.300 . 1 . . . . 93 ALA CB . 11207 1
1026 . 1 1 93 93 ALA N N 15 120.966 0.300 . 1 . . . . 93 ALA N . 11207 1
1027 . 1 1 94 94 GLY H H 1 8.252 0.030 . 1 . . . . 94 GLY H . 11207 1
1028 . 1 1 94 94 GLY HA2 H 1 4.158 0.030 . 2 . . . . 94 GLY HA2 . 11207 1
1029 . 1 1 94 94 GLY HA3 H 1 3.899 0.030 . 2 . . . . 94 GLY HA3 . 11207 1
1030 . 1 1 94 94 GLY C C 13 174.733 0.300 . 1 . . . . 94 GLY C . 11207 1
1031 . 1 1 94 94 GLY CA C 13 44.715 0.300 . 1 . . . . 94 GLY CA . 11207 1
1032 . 1 1 94 94 GLY N N 15 106.585 0.300 . 1 . . . . 94 GLY N . 11207 1
1033 . 1 1 95 95 THR H H 1 8.341 0.030 . 1 . . . . 95 THR H . 11207 1
1034 . 1 1 95 95 THR HA H 1 4.094 0.030 . 1 . . . . 95 THR HA . 11207 1
1035 . 1 1 95 95 THR HB H 1 4.274 0.030 . 1 . . . . 95 THR HB . 11207 1
1036 . 1 1 95 95 THR HG21 H 1 1.270 0.030 . 1 . . . . 95 THR HG2 . 11207 1
1037 . 1 1 95 95 THR HG22 H 1 1.270 0.030 . 1 . . . . 95 THR HG2 . 11207 1
1038 . 1 1 95 95 THR HG23 H 1 1.270 0.030 . 1 . . . . 95 THR HG2 . 11207 1
1039 . 1 1 95 95 THR C C 13 173.611 0.300 . 1 . . . . 95 THR C . 11207 1
1040 . 1 1 95 95 THR CA C 13 64.350 0.300 . 1 . . . . 95 THR CA . 11207 1
1041 . 1 1 95 95 THR CB C 13 69.298 0.300 . 1 . . . . 95 THR CB . 11207 1
1042 . 1 1 95 95 THR CG2 C 13 22.268 0.300 . 1 . . . . 95 THR CG2 . 11207 1
1043 . 1 1 95 95 THR N N 15 113.693 0.300 . 1 . . . . 95 THR N . 11207 1
1044 . 1 1 96 96 ALA H H 1 7.831 0.030 . 1 . . . . 96 ALA H . 11207 1
1045 . 1 1 96 96 ALA HA H 1 5.006 0.030 . 1 . . . . 96 ALA HA . 11207 1
1046 . 1 1 96 96 ALA HB1 H 1 1.184 0.030 . 1 . . . . 96 ALA HB . 11207 1
1047 . 1 1 96 96 ALA HB2 H 1 1.184 0.030 . 1 . . . . 96 ALA HB . 11207 1
1048 . 1 1 96 96 ALA HB3 H 1 1.184 0.030 . 1 . . . . 96 ALA HB . 11207 1
1049 . 1 1 96 96 ALA C C 13 175.862 0.300 . 1 . . . . 96 ALA C . 11207 1
1050 . 1 1 96 96 ALA CA C 13 50.951 0.300 . 1 . . . . 96 ALA CA . 11207 1
1051 . 1 1 96 96 ALA CB C 13 19.825 0.300 . 1 . . . . 96 ALA CB . 11207 1
1052 . 1 1 96 96 ALA N N 15 123.834 0.300 . 1 . . . . 96 ALA N . 11207 1
1053 . 1 1 97 97 VAL H H 1 9.146 0.030 . 1 . . . . 97 VAL H . 11207 1
1054 . 1 1 97 97 VAL HA H 1 4.179 0.030 . 1 . . . . 97 VAL HA . 11207 1
1055 . 1 1 97 97 VAL HB H 1 2.072 0.030 . 1 . . . . 97 VAL HB . 11207 1
1056 . 1 1 97 97 VAL HG11 H 1 0.735 0.030 . 1 . . . . 97 VAL HG1 . 11207 1
1057 . 1 1 97 97 VAL HG12 H 1 0.735 0.030 . 1 . . . . 97 VAL HG1 . 11207 1
1058 . 1 1 97 97 VAL HG13 H 1 0.735 0.030 . 1 . . . . 97 VAL HG1 . 11207 1
1059 . 1 1 97 97 VAL HG21 H 1 0.837 0.030 . 1 . . . . 97 VAL HG2 . 11207 1
1060 . 1 1 97 97 VAL HG22 H 1 0.837 0.030 . 1 . . . . 97 VAL HG2 . 11207 1
1061 . 1 1 97 97 VAL HG23 H 1 0.837 0.030 . 1 . . . . 97 VAL HG2 . 11207 1
1062 . 1 1 97 97 VAL C C 13 174.292 0.300 . 1 . . . . 97 VAL C . 11207 1
1063 . 1 1 97 97 VAL CA C 13 61.870 0.300 . 1 . . . . 97 VAL CA . 11207 1
1064 . 1 1 97 97 VAL CB C 13 33.181 0.300 . 1 . . . . 97 VAL CB . 11207 1
1065 . 1 1 97 97 VAL CG1 C 13 21.620 0.300 . 2 . . . . 97 VAL CG1 . 11207 1
1066 . 1 1 97 97 VAL CG2 C 13 21.809 0.300 . 2 . . . . 97 VAL CG2 . 11207 1
1067 . 1 1 97 97 VAL N N 15 124.956 0.300 . 1 . . . . 97 VAL N . 11207 1
1068 . 1 1 98 98 GLN H H 1 9.040 0.030 . 1 . . . . 98 GLN H . 11207 1
1069 . 1 1 98 98 GLN HA H 1 5.054 0.030 . 1 . . . . 98 GLN HA . 11207 1
1070 . 1 1 98 98 GLN HB2 H 1 2.047 0.030 . 2 . . . . 98 GLN HB2 . 11207 1
1071 . 1 1 98 98 GLN HB3 H 1 1.969 0.030 . 2 . . . . 98 GLN HB3 . 11207 1
1072 . 1 1 98 98 GLN HE21 H 1 7.346 0.030 . 2 . . . . 98 GLN HE21 . 11207 1
1073 . 1 1 98 98 GLN HE22 H 1 6.820 0.030 . 2 . . . . 98 GLN HE22 . 11207 1
1074 . 1 1 98 98 GLN HG2 H 1 2.248 0.030 . 2 . . . . 98 GLN HG2 . 11207 1
1075 . 1 1 98 98 GLN HG3 H 1 2.113 0.030 . 2 . . . . 98 GLN HG3 . 11207 1
1076 . 1 1 98 98 GLN C C 13 175.252 0.300 . 1 . . . . 98 GLN C . 11207 1
1077 . 1 1 98 98 GLN CA C 13 54.928 0.300 . 1 . . . . 98 GLN CA . 11207 1
1078 . 1 1 98 98 GLN CB C 13 30.231 0.300 . 1 . . . . 98 GLN CB . 11207 1
1079 . 1 1 98 98 GLN CG C 13 34.485 0.300 . 1 . . . . 98 GLN CG . 11207 1
1080 . 1 1 98 98 GLN N N 15 128.366 0.300 . 1 . . . . 98 GLN N . 11207 1
1081 . 1 1 98 98 GLN NE2 N 15 111.679 0.300 . 1 . . . . 98 GLN NE2 . 11207 1
1082 . 1 1 99 99 MET H H 1 9.389 0.030 . 1 . . . . 99 MET H . 11207 1
1083 . 1 1 99 99 MET HA H 1 5.223 0.030 . 1 . . . . 99 MET HA . 11207 1
1084 . 1 1 99 99 MET HB2 H 1 1.853 0.030 . 2 . . . . 99 MET HB2 . 11207 1
1085 . 1 1 99 99 MET HB3 H 1 1.802 0.030 . 2 . . . . 99 MET HB3 . 11207 1
1086 . 1 1 99 99 MET HE1 H 1 1.708 0.030 . 1 . . . . 99 MET HE . 11207 1
1087 . 1 1 99 99 MET HE2 H 1 1.708 0.030 . 1 . . . . 99 MET HE . 11207 1
1088 . 1 1 99 99 MET HE3 H 1 1.708 0.030 . 1 . . . . 99 MET HE . 11207 1
1089 . 1 1 99 99 MET HG2 H 1 2.323 0.030 . 2 . . . . 99 MET HG2 . 11207 1
1090 . 1 1 99 99 MET HG3 H 1 2.242 0.030 . 2 . . . . 99 MET HG3 . 11207 1
1091 . 1 1 99 99 MET C C 13 173.661 0.300 . 1 . . . . 99 MET C . 11207 1
1092 . 1 1 99 99 MET CA C 13 54.231 0.300 . 1 . . . . 99 MET CA . 11207 1
1093 . 1 1 99 99 MET CB C 13 36.457 0.300 . 1 . . . . 99 MET CB . 11207 1
1094 . 1 1 99 99 MET CE C 13 17.208 0.300 . 1 . . . . 99 MET CE . 11207 1
1095 . 1 1 99 99 MET CG C 13 31.792 0.300 . 1 . . . . 99 MET CG . 11207 1
1096 . 1 1 99 99 MET N N 15 125.174 0.300 . 1 . . . . 99 MET N . 11207 1
1097 . 1 1 100 100 ARG H H 1 8.479 0.030 . 1 . . . . 100 ARG H . 11207 1
1098 . 1 1 100 100 ARG HA H 1 5.506 0.030 . 1 . . . . 100 ARG HA . 11207 1
1099 . 1 1 100 100 ARG HB2 H 1 1.740 0.030 . 2 . . . . 100 ARG HB2 . 11207 1
1100 . 1 1 100 100 ARG HB3 H 1 1.622 0.030 . 2 . . . . 100 ARG HB3 . 11207 1
1101 . 1 1 100 100 ARG HD2 H 1 3.144 0.030 . 2 . . . . 100 ARG HD2 . 11207 1
1102 . 1 1 100 100 ARG HD3 H 1 3.051 0.030 . 2 . . . . 100 ARG HD3 . 11207 1
1103 . 1 1 100 100 ARG HE H 1 7.277 0.030 . 1 . . . . 100 ARG HE . 11207 1
1104 . 1 1 100 100 ARG HG2 H 1 1.556 0.030 . 2 . . . . 100 ARG HG2 . 11207 1
1105 . 1 1 100 100 ARG HG3 H 1 1.452 0.030 . 2 . . . . 100 ARG HG3 . 11207 1
1106 . 1 1 100 100 ARG C C 13 175.775 0.300 . 1 . . . . 100 ARG C . 11207 1
1107 . 1 1 100 100 ARG CA C 13 54.799 0.300 . 1 . . . . 100 ARG CA . 11207 1
1108 . 1 1 100 100 ARG CB C 13 33.103 0.300 . 1 . . . . 100 ARG CB . 11207 1
1109 . 1 1 100 100 ARG CD C 13 43.482 0.300 . 1 . . . . 100 ARG CD . 11207 1
1110 . 1 1 100 100 ARG CG C 13 27.709 0.300 . 1 . . . . 100 ARG CG . 11207 1
1111 . 1 1 100 100 ARG N N 15 124.595 0.300 . 1 . . . . 100 ARG N . 11207 1
1112 . 1 1 100 100 ARG NE N 15 83.545 0.300 . 1 . . . . 100 ARG NE . 11207 1
1113 . 1 1 101 101 VAL H H 1 9.308 0.030 . 1 . . . . 101 VAL H . 11207 1
1114 . 1 1 101 101 VAL HA H 1 5.677 0.030 . 1 . . . . 101 VAL HA . 11207 1
1115 . 1 1 101 101 VAL HB H 1 2.018 0.030 . 1 . . . . 101 VAL HB . 11207 1
1116 . 1 1 101 101 VAL HG11 H 1 0.786 0.030 . 1 . . . . 101 VAL HG1 . 11207 1
1117 . 1 1 101 101 VAL HG12 H 1 0.786 0.030 . 1 . . . . 101 VAL HG1 . 11207 1
1118 . 1 1 101 101 VAL HG13 H 1 0.786 0.030 . 1 . . . . 101 VAL HG1 . 11207 1
1119 . 1 1 101 101 VAL HG21 H 1 0.767 0.030 . 1 . . . . 101 VAL HG2 . 11207 1
1120 . 1 1 101 101 VAL HG22 H 1 0.767 0.030 . 1 . . . . 101 VAL HG2 . 11207 1
1121 . 1 1 101 101 VAL HG23 H 1 0.767 0.030 . 1 . . . . 101 VAL HG2 . 11207 1
1122 . 1 1 101 101 VAL C C 13 173.651 0.300 . 1 . . . . 101 VAL C . 11207 1
1123 . 1 1 101 101 VAL CA C 13 58.086 0.300 . 1 . . . . 101 VAL CA . 11207 1
1124 . 1 1 101 101 VAL CB C 13 36.106 0.300 . 1 . . . . 101 VAL CB . 11207 1
1125 . 1 1 101 101 VAL CG1 C 13 21.097 0.300 . 2 . . . . 101 VAL CG1 . 11207 1
1126 . 1 1 101 101 VAL CG2 C 13 18.539 0.300 . 2 . . . . 101 VAL CG2 . 11207 1
1127 . 1 1 101 101 VAL N N 15 119.486 0.300 . 1 . . . . 101 VAL N . 11207 1
1128 . 1 1 102 102 TRP H H 1 9.221 0.030 . 1 . . . . 102 TRP H . 11207 1
1129 . 1 1 102 102 TRP HA H 1 5.356 0.030 . 1 . . . . 102 TRP HA . 11207 1
1130 . 1 1 102 102 TRP HB2 H 1 3.185 0.030 . 2 . . . . 102 TRP HB2 . 11207 1
1131 . 1 1 102 102 TRP HB3 H 1 3.123 0.030 . 2 . . . . 102 TRP HB3 . 11207 1
1132 . 1 1 102 102 TRP HD1 H 1 7.208 0.030 . 1 . . . . 102 TRP HD1 . 11207 1
1133 . 1 1 102 102 TRP HE1 H 1 10.595 0.030 . 1 . . . . 102 TRP HE1 . 11207 1
1134 . 1 1 102 102 TRP HE3 H 1 7.494 0.030 . 1 . . . . 102 TRP HE3 . 11207 1
1135 . 1 1 102 102 TRP HH2 H 1 7.224 0.030 . 1 . . . . 102 TRP HH2 . 11207 1
1136 . 1 1 102 102 TRP HZ2 H 1 7.459 0.030 . 1 . . . . 102 TRP HZ2 . 11207 1
1137 . 1 1 102 102 TRP HZ3 H 1 7.215 0.030 . 1 . . . . 102 TRP HZ3 . 11207 1
1138 . 1 1 102 102 TRP C C 13 174.714 0.300 . 1 . . . . 102 TRP C . 11207 1
1139 . 1 1 102 102 TRP CA C 13 56.100 0.300 . 1 . . . . 102 TRP CA . 11207 1
1140 . 1 1 102 102 TRP CB C 13 32.607 0.300 . 1 . . . . 102 TRP CB . 11207 1
1141 . 1 1 102 102 TRP CD1 C 13 126.788 0.300 . 1 . . . . 102 TRP CD1 . 11207 1
1142 . 1 1 102 102 TRP CE3 C 13 120.238 0.300 . 1 . . . . 102 TRP CE3 . 11207 1
1143 . 1 1 102 102 TRP CH2 C 13 124.733 0.300 . 1 . . . . 102 TRP CH2 . 11207 1
1144 . 1 1 102 102 TRP CZ2 C 13 114.803 0.300 . 1 . . . . 102 TRP CZ2 . 11207 1
1145 . 1 1 102 102 TRP CZ3 C 13 121.767 0.300 . 1 . . . . 102 TRP CZ3 . 11207 1
1146 . 1 1 102 102 TRP N N 15 121.556 0.300 . 1 . . . . 102 TRP N . 11207 1
1147 . 1 1 102 102 TRP NE1 N 15 131.044 0.300 . 1 . . . . 102 TRP NE1 . 11207 1
1148 . 1 1 103 103 ARG H H 1 8.688 0.030 . 1 . . . . 103 ARG H . 11207 1
1149 . 1 1 103 103 ARG HA H 1 4.506 0.030 . 1 . . . . 103 ARG HA . 11207 1
1150 . 1 1 103 103 ARG HB2 H 1 1.661 0.030 . 2 . . . . 103 ARG HB2 . 11207 1
1151 . 1 1 103 103 ARG HB3 H 1 1.484 0.030 . 2 . . . . 103 ARG HB3 . 11207 1
1152 . 1 1 103 103 ARG HD2 H 1 3.050 0.030 . 2 . . . . 103 ARG HD2 . 11207 1
1153 . 1 1 103 103 ARG HD3 H 1 2.903 0.030 . 2 . . . . 103 ARG HD3 . 11207 1
1154 . 1 1 103 103 ARG HE H 1 9.227 0.030 . 1 . . . . 103 ARG HE . 11207 1
1155 . 1 1 103 103 ARG HG2 H 1 1.387 0.030 . 1 . . . . 103 ARG HG2 . 11207 1
1156 . 1 1 103 103 ARG HG3 H 1 1.387 0.030 . 1 . . . . 103 ARG HG3 . 11207 1
1157 . 1 1 103 103 ARG C C 13 173.478 0.300 . 1 . . . . 103 ARG C . 11207 1
1158 . 1 1 103 103 ARG CA C 13 54.659 0.300 . 1 . . . . 103 ARG CA . 11207 1
1159 . 1 1 103 103 ARG CB C 13 33.883 0.300 . 1 . . . . 103 ARG CB . 11207 1
1160 . 1 1 103 103 ARG CD C 13 43.442 0.300 . 1 . . . . 103 ARG CD . 11207 1
1161 . 1 1 103 103 ARG CG C 13 25.778 0.300 . 1 . . . . 103 ARG CG . 11207 1
1162 . 1 1 103 103 ARG N N 15 130.422 0.300 . 1 . . . . 103 ARG N . 11207 1
1163 . 1 1 103 103 ARG NE N 15 84.725 0.300 . 1 . . . . 103 ARG NE . 11207 1
1164 . 1 1 104 104 GLU H H 1 8.273 0.030 . 1 . . . . 104 GLU H . 11207 1
1165 . 1 1 104 104 GLU HA H 1 4.176 0.030 . 1 . . . . 104 GLU HA . 11207 1
1166 . 1 1 104 104 GLU HB2 H 1 1.923 0.030 . 1 . . . . 104 GLU HB2 . 11207 1
1167 . 1 1 104 104 GLU HB3 H 1 1.923 0.030 . 1 . . . . 104 GLU HB3 . 11207 1
1168 . 1 1 104 104 GLU HG2 H 1 2.276 0.030 . 2 . . . . 104 GLU HG2 . 11207 1
1169 . 1 1 104 104 GLU HG3 H 1 2.240 0.030 . 2 . . . . 104 GLU HG3 . 11207 1
1170 . 1 1 104 104 GLU C C 13 176.406 0.300 . 1 . . . . 104 GLU C . 11207 1
1171 . 1 1 104 104 GLU CA C 13 55.872 0.300 . 1 . . . . 104 GLU CA . 11207 1
1172 . 1 1 104 104 GLU CB C 13 31.017 0.300 . 1 . . . . 104 GLU CB . 11207 1
1173 . 1 1 104 104 GLU CG C 13 36.452 0.300 . 1 . . . . 104 GLU CG . 11207 1
1174 . 1 1 104 104 GLU N N 15 124.550 0.300 . 1 . . . . 104 GLU N . 11207 1
1175 . 1 1 105 105 SER H H 1 8.572 0.030 . 1 . . . . 105 SER H . 11207 1
1176 . 1 1 105 105 SER HA H 1 4.439 0.030 . 1 . . . . 105 SER HA . 11207 1
1177 . 1 1 105 105 SER HB2 H 1 3.799 0.030 . 1 . . . . 105 SER HB2 . 11207 1
1178 . 1 1 105 105 SER HB3 H 1 3.799 0.030 . 1 . . . . 105 SER HB3 . 11207 1
1179 . 1 1 105 105 SER C C 13 174.507 0.300 . 1 . . . . 105 SER C . 11207 1
1180 . 1 1 105 105 SER CA C 13 58.358 0.300 . 1 . . . . 105 SER CA . 11207 1
1181 . 1 1 105 105 SER CB C 13 64.210 0.300 . 1 . . . . 105 SER CB . 11207 1
1182 . 1 1 105 105 SER N N 15 118.835 0.300 . 1 . . . . 105 SER N . 11207 1
1183 . 1 1 106 106 GLY H H 1 8.310 0.030 . 1 . . . . 106 GLY H . 11207 1
1184 . 1 1 106 106 GLY HA2 H 1 4.220 0.030 . 2 . . . . 106 GLY HA2 . 11207 1
1185 . 1 1 106 106 GLY HA3 H 1 4.058 0.030 . 2 . . . . 106 GLY HA3 . 11207 1
1186 . 1 1 106 106 GLY C C 13 171.723 0.300 . 1 . . . . 106 GLY C . 11207 1
1187 . 1 1 106 106 GLY CA C 13 44.758 0.300 . 1 . . . . 106 GLY CA . 11207 1
1188 . 1 1 106 106 GLY N N 15 110.613 0.300 . 1 . . . . 106 GLY N . 11207 1
1189 . 1 1 107 107 PRO HA H 1 4.491 0.030 . 1 . . . . 107 PRO HA . 11207 1
1190 . 1 1 107 107 PRO HB2 H 1 2.293 0.030 . 2 . . . . 107 PRO HB2 . 11207 1
1191 . 1 1 107 107 PRO HB3 H 1 1.976 0.030 . 2 . . . . 107 PRO HB3 . 11207 1
1192 . 1 1 107 107 PRO HD2 H 1 3.621 0.030 . 1 . . . . 107 PRO HD2 . 11207 1
1193 . 1 1 107 107 PRO HD3 H 1 3.621 0.030 . 1 . . . . 107 PRO HD3 . 11207 1
1194 . 1 1 107 107 PRO HG2 H 1 2.015 0.030 . 1 . . . . 107 PRO HG2 . 11207 1
1195 . 1 1 107 107 PRO HG3 H 1 2.015 0.030 . 1 . . . . 107 PRO HG3 . 11207 1
1196 . 1 1 107 107 PRO C C 13 177.408 0.300 . 1 . . . . 107 PRO C . 11207 1
1197 . 1 1 107 107 PRO CA C 13 63.209 0.300 . 1 . . . . 107 PRO CA . 11207 1
1198 . 1 1 107 107 PRO CB C 13 32.227 0.300 . 1 . . . . 107 PRO CB . 11207 1
1199 . 1 1 107 107 PRO CD C 13 49.830 0.300 . 1 . . . . 107 PRO CD . 11207 1
1200 . 1 1 107 107 PRO CG C 13 27.221 0.300 . 1 . . . . 107 PRO CG . 11207 1
1201 . 1 1 108 108 SER H H 1 8.546 0.030 . 1 . . . . 108 SER H . 11207 1
1202 . 1 1 108 108 SER HA H 1 4.510 0.030 . 1 . . . . 108 SER HA . 11207 1
1203 . 1 1 108 108 SER HB2 H 1 3.912 0.030 . 1 . . . . 108 SER HB2 . 11207 1
1204 . 1 1 108 108 SER HB3 H 1 3.912 0.030 . 1 . . . . 108 SER HB3 . 11207 1
1205 . 1 1 108 108 SER C C 13 174.768 0.300 . 1 . . . . 108 SER C . 11207 1
1206 . 1 1 108 108 SER CA C 13 58.374 0.300 . 1 . . . . 108 SER CA . 11207 1
1207 . 1 1 108 108 SER CB C 13 63.936 0.300 . 1 . . . . 108 SER CB . 11207 1
1208 . 1 1 108 108 SER N N 15 116.461 0.300 . 1 . . . . 108 SER N . 11207 1
1209 . 1 1 109 109 SER H H 1 8.351 0.030 . 1 . . . . 109 SER H . 11207 1
1210 . 1 1 109 109 SER HA H 1 4.498 0.030 . 1 . . . . 109 SER HA . 11207 1
1211 . 1 1 109 109 SER HB2 H 1 3.916 0.030 . 1 . . . . 109 SER HB2 . 11207 1
1212 . 1 1 109 109 SER HB3 H 1 3.916 0.030 . 1 . . . . 109 SER HB3 . 11207 1
1213 . 1 1 109 109 SER C C 13 174.761 0.300 . 1 . . . . 109 SER C . 11207 1
1214 . 1 1 109 109 SER CA C 13 58.381 0.300 . 1 . . . . 109 SER CA . 11207 1
1215 . 1 1 109 109 SER CB C 13 64.002 0.300 . 1 . . . . 109 SER CB . 11207 1
1216 . 1 1 109 109 SER N N 15 117.965 0.300 . 1 . . . . 109 SER N . 11207 1
1217 . 1 1 110 110 GLY H H 1 8.057 0.030 . 1 . . . . 110 GLY H . 11207 1
1218 . 1 1 110 110 GLY HA2 H 1 3.813 0.030 . 2 . . . . 110 GLY HA2 . 11207 1
1219 . 1 1 110 110 GLY HA3 H 1 3.755 0.030 . 2 . . . . 110 GLY HA3 . 11207 1
1220 . 1 1 110 110 GLY C C 13 173.844 0.300 . 1 . . . . 110 GLY C . 11207 1
1221 . 1 1 110 110 GLY CA C 13 46.246 0.300 . 1 . . . . 110 GLY CA . 11207 1
1222 . 1 1 110 110 GLY N N 15 116.834 0.300 . 1 . . . . 110 GLY N . 11207 1
stop_
save_