data_11160
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11160
_Entry.Title
;
Solution structure of the HMG box of human Myeloid/lymphoid or mixed-lineage
leukemia protein 3 homolog
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-04-15
_Entry.Accession_date 2010-04-15
_Entry.Last_release_date 2011-05-05
_Entry.Original_release_date 2011-05-05
_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 H. Abe . . . 11160
2 N. Tochio . . . 11160
3 K. Miyamoto . . . 11160
4 S. Koshiba . . . 11160
5 T. Harada . . . 11160
6 S. Watanabe . . . 11160
7 T. Kigawa . . . 11160
8 S. Yokoyama . . . 11160
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)' . 11160
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11160
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 380 11160
'15N chemical shifts' 89 11160
'1H chemical shifts' 603 11160
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 . . 2011-05-05 2010-04-15 original author . 11160
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2YUK 'BMRB Entry Tracking System' 11160
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 11160
_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 HMG box of human Myeloid/lymphoid or mixed-lineage
leukemia protein 3 homolog
;
_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 H. Abe . . . 11160 1
2 N. Tochio . . . 11160 1
3 K. Miyamoto . . . 11160 1
4 S. Koshiba . . . 11160 1
5 T. Harada . . . 11160 1
6 S. Watanabe . . . 11160 1
7 T. Kigawa . . . 11160 1
8 S. Yokoyama . . . 11160 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11160
_Assembly.ID 1
_Assembly.Name 'Myeloid/lymphoid or mixed-lineage leukemia protein 3 homolog'
_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 E.C.2.1.1.43
_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 'HMG (high mobility group) box, UNP residues 1631-1713' 1 $entity_1 A . yes native no no . . . 11160 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 2yuk . . . . . . 11160 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 11160
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'HMG (high mobility group) box, UNP residues 1631-1713'
_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
;
GSSGSSGNAQRSTLKWEKEE
ALGEMATVAPVLYTNINFPN
LKEEFPDWTTRVKQIAKLWR
KASSQERAPYVQKARDNRAA
LRINKVQMSN
;
_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 90
_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 2YUK . "Solution Structure Of The Hmg Box Of Human MyeloidLYMPHOID Or Mixed-Lineage Leukemia Protein 3 Homolog" . . . . . 100.00 90 100.00 100.00 7.90e-58 . . . . 11160 1
2 no GB KFP32916 . "Histone-lysine N-methyltransferase 2C, partial [Colius striatus]" . . . . . 92.22 3499 98.80 98.80 1.44e-47 . . . . 11160 1
3 no REF XP_010203152 . "PREDICTED: histone-lysine N-methyltransferase 2C, partial [Colius striatus]" . . . . . 92.22 3564 98.80 98.80 1.50e-47 . . . . 11160 1
4 no REF XP_012426828 . "PREDICTED: histone-lysine N-methyltransferase 2C isoform X1 [Taeniopygia guttata]" . . . . . 92.22 4630 97.59 97.59 6.43e-47 . . . . 11160 1
5 no REF XP_012426830 . "PREDICTED: histone-lysine N-methyltransferase 2C isoform X2 [Taeniopygia guttata]" . . . . . 92.22 4626 97.59 97.59 6.43e-47 . . . . 11160 1
6 no REF XP_012426831 . "PREDICTED: histone-lysine N-methyltransferase 2C isoform X3 [Taeniopygia guttata]" . . . . . 92.22 4614 97.59 97.59 7.42e-47 . . . . 11160 1
7 no REF XP_012426832 . "PREDICTED: histone-lysine N-methyltransferase 2C isoform X4 [Taeniopygia guttata]" . . . . . 92.22 4608 97.59 97.59 6.93e-47 . . . . 11160 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'HMG (high mobility group) box, UNP residues 1631-1713' . 11160 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 . 11160 1
2 . SER . 11160 1
3 . SER . 11160 1
4 . GLY . 11160 1
5 . SER . 11160 1
6 . SER . 11160 1
7 . GLY . 11160 1
8 . ASN . 11160 1
9 . ALA . 11160 1
10 . GLN . 11160 1
11 . ARG . 11160 1
12 . SER . 11160 1
13 . THR . 11160 1
14 . LEU . 11160 1
15 . LYS . 11160 1
16 . TRP . 11160 1
17 . GLU . 11160 1
18 . LYS . 11160 1
19 . GLU . 11160 1
20 . GLU . 11160 1
21 . ALA . 11160 1
22 . LEU . 11160 1
23 . GLY . 11160 1
24 . GLU . 11160 1
25 . MET . 11160 1
26 . ALA . 11160 1
27 . THR . 11160 1
28 . VAL . 11160 1
29 . ALA . 11160 1
30 . PRO . 11160 1
31 . VAL . 11160 1
32 . LEU . 11160 1
33 . TYR . 11160 1
34 . THR . 11160 1
35 . ASN . 11160 1
36 . ILE . 11160 1
37 . ASN . 11160 1
38 . PHE . 11160 1
39 . PRO . 11160 1
40 . ASN . 11160 1
41 . LEU . 11160 1
42 . LYS . 11160 1
43 . GLU . 11160 1
44 . GLU . 11160 1
45 . PHE . 11160 1
46 . PRO . 11160 1
47 . ASP . 11160 1
48 . TRP . 11160 1
49 . THR . 11160 1
50 . THR . 11160 1
51 . ARG . 11160 1
52 . VAL . 11160 1
53 . LYS . 11160 1
54 . GLN . 11160 1
55 . ILE . 11160 1
56 . ALA . 11160 1
57 . LYS . 11160 1
58 . LEU . 11160 1
59 . TRP . 11160 1
60 . ARG . 11160 1
61 . LYS . 11160 1
62 . ALA . 11160 1
63 . SER . 11160 1
64 . SER . 11160 1
65 . GLN . 11160 1
66 . GLU . 11160 1
67 . ARG . 11160 1
68 . ALA . 11160 1
69 . PRO . 11160 1
70 . TYR . 11160 1
71 . VAL . 11160 1
72 . GLN . 11160 1
73 . LYS . 11160 1
74 . ALA . 11160 1
75 . ARG . 11160 1
76 . ASP . 11160 1
77 . ASN . 11160 1
78 . ARG . 11160 1
79 . ALA . 11160 1
80 . ALA . 11160 1
81 . LEU . 11160 1
82 . ARG . 11160 1
83 . ILE . 11160 1
84 . ASN . 11160 1
85 . LYS . 11160 1
86 . VAL . 11160 1
87 . GLN . 11160 1
88 . MET . 11160 1
89 . SER . 11160 1
90 . ASN . 11160 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 11160 1
. SER 2 2 11160 1
. SER 3 3 11160 1
. GLY 4 4 11160 1
. SER 5 5 11160 1
. SER 6 6 11160 1
. GLY 7 7 11160 1
. ASN 8 8 11160 1
. ALA 9 9 11160 1
. GLN 10 10 11160 1
. ARG 11 11 11160 1
. SER 12 12 11160 1
. THR 13 13 11160 1
. LEU 14 14 11160 1
. LYS 15 15 11160 1
. TRP 16 16 11160 1
. GLU 17 17 11160 1
. LYS 18 18 11160 1
. GLU 19 19 11160 1
. GLU 20 20 11160 1
. ALA 21 21 11160 1
. LEU 22 22 11160 1
. GLY 23 23 11160 1
. GLU 24 24 11160 1
. MET 25 25 11160 1
. ALA 26 26 11160 1
. THR 27 27 11160 1
. VAL 28 28 11160 1
. ALA 29 29 11160 1
. PRO 30 30 11160 1
. VAL 31 31 11160 1
. LEU 32 32 11160 1
. TYR 33 33 11160 1
. THR 34 34 11160 1
. ASN 35 35 11160 1
. ILE 36 36 11160 1
. ASN 37 37 11160 1
. PHE 38 38 11160 1
. PRO 39 39 11160 1
. ASN 40 40 11160 1
. LEU 41 41 11160 1
. LYS 42 42 11160 1
. GLU 43 43 11160 1
. GLU 44 44 11160 1
. PHE 45 45 11160 1
. PRO 46 46 11160 1
. ASP 47 47 11160 1
. TRP 48 48 11160 1
. THR 49 49 11160 1
. THR 50 50 11160 1
. ARG 51 51 11160 1
. VAL 52 52 11160 1
. LYS 53 53 11160 1
. GLN 54 54 11160 1
. ILE 55 55 11160 1
. ALA 56 56 11160 1
. LYS 57 57 11160 1
. LEU 58 58 11160 1
. TRP 59 59 11160 1
. ARG 60 60 11160 1
. LYS 61 61 11160 1
. ALA 62 62 11160 1
. SER 63 63 11160 1
. SER 64 64 11160 1
. GLN 65 65 11160 1
. GLU 66 66 11160 1
. ARG 67 67 11160 1
. ALA 68 68 11160 1
. PRO 69 69 11160 1
. TYR 70 70 11160 1
. VAL 71 71 11160 1
. GLN 72 72 11160 1
. LYS 73 73 11160 1
. ALA 74 74 11160 1
. ARG 75 75 11160 1
. ASP 76 76 11160 1
. ASN 77 77 11160 1
. ARG 78 78 11160 1
. ALA 79 79 11160 1
. ALA 80 80 11160 1
. LEU 81 81 11160 1
. ARG 82 82 11160 1
. ILE 83 83 11160 1
. ASN 84 84 11160 1
. LYS 85 85 11160 1
. VAL 86 86 11160 1
. GLN 87 87 11160 1
. MET 88 88 11160 1
. SER 89 89 11160 1
. ASN 90 90 11160 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 11160
_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 . . . . . . . . . . . . . . . . . . . . . 11160 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 11160
_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 . . . . . . . . . . . . . . . . P060327-10 . . . . . . 11160 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11160
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
1.11mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;}
90% H2O, 10% D2O
;
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'HMG (high mobility group) box, UNP residues 1631-1713' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.11 . . mM . . . . 11160 1
2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11160 1
3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11160 1
4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11160 1
5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11160 1
6 H2O . . . . . . solvent 90 . . % . . . . 11160 1
7 D2O . . . . . . solvent 10 . . % . . . . 11160 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 11160
_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 11160 1
pH 7.0 0.05 pH 11160 1
pressure 1 0.001 atm 11160 1
temperature 298 0.1 K 11160 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 11160
_Software.ID 1
_Software.Name xwinnmr
_Software.Version 3.5
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Bruker . . 11160 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11160 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 11160
_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
'Delaglio, F.' . . 11160 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 11160 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 11160
_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
'Johnson, B. A.' . . 11160 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11160 3
stop_
save_
save_Kujira
_Software.Sf_category software
_Software.Sf_framecode Kujira
_Software.Entry_ID 11160
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.9747
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi, N.' . . 11160 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11160 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11160
_Software.ID 5
_Software.Name CYANA
_Software.Version 2.0.17
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, P.' . . 11160 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 11160 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 11160
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
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 11160
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker AVANCE . 800 . . . 11160 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 11160
_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 . . . . . . . . . . . . . . . . 11160 1
2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11160 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 11160
_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 . . . . . . . . . 11160 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11160 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11160 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 11160
_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 11160 1
2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11160 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 $XWINNMR . . 11160 1
2 $NMRPipe . . 11160 1
3 $NMRView . . 11160 1
4 $Kujira . . 11160 1
5 $CYANA . . 11160 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 8 8 ASN HA H 1 4.692 0.030 . 1 . . . . 8 ASN HA . 11160 1
2 . 1 1 8 8 ASN HB2 H 1 2.839 0.030 . 2 . . . . 8 ASN HB2 . 11160 1
3 . 1 1 8 8 ASN HB3 H 1 2.762 0.030 . 2 . . . . 8 ASN HB3 . 11160 1
4 . 1 1 8 8 ASN C C 13 175.531 0.300 . 1 . . . . 8 ASN C . 11160 1
5 . 1 1 8 8 ASN CA C 13 53.503 0.300 . 1 . . . . 8 ASN CA . 11160 1
6 . 1 1 8 8 ASN CB C 13 38.893 0.300 . 1 . . . . 8 ASN CB . 11160 1
7 . 1 1 9 9 ALA H H 1 8.329 0.030 . 1 . . . . 9 ALA H . 11160 1
8 . 1 1 9 9 ALA HA H 1 4.267 0.030 . 1 . . . . 9 ALA HA . 11160 1
9 . 1 1 9 9 ALA HB1 H 1 1.397 0.030 . 1 . . . . 9 ALA HB . 11160 1
10 . 1 1 9 9 ALA HB2 H 1 1.397 0.030 . 1 . . . . 9 ALA HB . 11160 1
11 . 1 1 9 9 ALA HB3 H 1 1.397 0.030 . 1 . . . . 9 ALA HB . 11160 1
12 . 1 1 9 9 ALA C C 13 178.081 0.300 . 1 . . . . 9 ALA C . 11160 1
13 . 1 1 9 9 ALA CA C 13 53.118 0.300 . 1 . . . . 9 ALA CA . 11160 1
14 . 1 1 9 9 ALA CB C 13 19.025 0.300 . 1 . . . . 9 ALA CB . 11160 1
15 . 1 1 9 9 ALA N N 15 124.392 0.300 . 1 . . . . 9 ALA N . 11160 1
16 . 1 1 10 10 GLN H H 1 8.305 0.030 . 1 . . . . 10 GLN H . 11160 1
17 . 1 1 10 10 GLN HA H 1 4.271 0.030 . 1 . . . . 10 GLN HA . 11160 1
18 . 1 1 10 10 GLN HB2 H 1 2.117 0.030 . 2 . . . . 10 GLN HB2 . 11160 1
19 . 1 1 10 10 GLN HB3 H 1 2.003 0.030 . 2 . . . . 10 GLN HB3 . 11160 1
20 . 1 1 10 10 GLN HE21 H 1 7.530 0.030 . 2 . . . . 10 GLN HE21 . 11160 1
21 . 1 1 10 10 GLN HE22 H 1 6.858 0.030 . 2 . . . . 10 GLN HE22 . 11160 1
22 . 1 1 10 10 GLN HG2 H 1 2.376 0.030 . 1 . . . . 10 GLN HG2 . 11160 1
23 . 1 1 10 10 GLN HG3 H 1 2.376 0.030 . 1 . . . . 10 GLN HG3 . 11160 1
24 . 1 1 10 10 GLN C C 13 176.450 0.300 . 1 . . . . 10 GLN C . 11160 1
25 . 1 1 10 10 GLN CA C 13 56.310 0.300 . 1 . . . . 10 GLN CA . 11160 1
26 . 1 1 10 10 GLN CB C 13 29.032 0.300 . 1 . . . . 10 GLN CB . 11160 1
27 . 1 1 10 10 GLN CG C 13 33.959 0.300 . 1 . . . . 10 GLN CG . 11160 1
28 . 1 1 10 10 GLN N N 15 118.975 0.300 . 1 . . . . 10 GLN N . 11160 1
29 . 1 1 10 10 GLN NE2 N 15 112.507 0.300 . 1 . . . . 10 GLN NE2 . 11160 1
30 . 1 1 11 11 ARG H H 1 8.246 0.030 . 1 . . . . 11 ARG H . 11160 1
31 . 1 1 11 11 ARG C C 13 176.940 0.300 . 1 . . . . 11 ARG C . 11160 1
32 . 1 1 11 11 ARG CA C 13 56.218 0.300 . 1 . . . . 11 ARG CA . 11160 1
33 . 1 1 11 11 ARG CB C 13 30.382 0.300 . 1 . . . . 11 ARG CB . 11160 1
34 . 1 1 11 11 ARG N N 15 121.478 0.300 . 1 . . . . 11 ARG N . 11160 1
35 . 1 1 12 12 SER HA H 1 4.287 0.030 . 1 . . . . 12 SER HA . 11160 1
36 . 1 1 12 12 SER HB2 H 1 3.824 0.030 . 2 . . . . 12 SER HB2 . 11160 1
37 . 1 1 12 12 SER HB3 H 1 3.745 0.030 . 2 . . . . 12 SER HB3 . 11160 1
38 . 1 1 12 12 SER C C 13 175.508 0.300 . 1 . . . . 12 SER C . 11160 1
39 . 1 1 12 12 SER CA C 13 59.018 0.300 . 1 . . . . 12 SER CA . 11160 1
40 . 1 1 12 12 SER CB C 13 63.403 0.300 . 1 . . . . 12 SER CB . 11160 1
41 . 1 1 13 13 THR H H 1 7.916 0.030 . 1 . . . . 13 THR H . 11160 1
42 . 1 1 13 13 THR HA H 1 3.519 0.030 . 1 . . . . 13 THR HA . 11160 1
43 . 1 1 13 13 THR HB H 1 3.927 0.030 . 1 . . . . 13 THR HB . 11160 1
44 . 1 1 13 13 THR HG21 H 1 0.550 0.030 . 1 . . . . 13 THR HG2 . 11160 1
45 . 1 1 13 13 THR HG22 H 1 0.550 0.030 . 1 . . . . 13 THR HG2 . 11160 1
46 . 1 1 13 13 THR HG23 H 1 0.550 0.030 . 1 . . . . 13 THR HG2 . 11160 1
47 . 1 1 13 13 THR C C 13 175.632 0.300 . 1 . . . . 13 THR C . 11160 1
48 . 1 1 13 13 THR CA C 13 62.059 0.300 . 1 . . . . 13 THR CA . 11160 1
49 . 1 1 13 13 THR CB C 13 69.096 0.300 . 1 . . . . 13 THR CB . 11160 1
50 . 1 1 13 13 THR CG2 C 13 20.856 0.300 . 1 . . . . 13 THR CG2 . 11160 1
51 . 1 1 13 13 THR N N 15 114.486 0.300 . 1 . . . . 13 THR N . 11160 1
52 . 1 1 14 14 LEU H H 1 7.785 0.030 . 1 . . . . 14 LEU H . 11160 1
53 . 1 1 14 14 LEU HA H 1 4.222 0.030 . 1 . . . . 14 LEU HA . 11160 1
54 . 1 1 14 14 LEU HB2 H 1 1.670 0.030 . 2 . . . . 14 LEU HB2 . 11160 1
55 . 1 1 14 14 LEU HB3 H 1 1.508 0.030 . 2 . . . . 14 LEU HB3 . 11160 1
56 . 1 1 14 14 LEU HD11 H 1 0.846 0.030 . 1 . . . . 14 LEU HD1 . 11160 1
57 . 1 1 14 14 LEU HD12 H 1 0.846 0.030 . 1 . . . . 14 LEU HD1 . 11160 1
58 . 1 1 14 14 LEU HD13 H 1 0.846 0.030 . 1 . . . . 14 LEU HD1 . 11160 1
59 . 1 1 14 14 LEU HD21 H 1 0.835 0.030 . 1 . . . . 14 LEU HD2 . 11160 1
60 . 1 1 14 14 LEU HD22 H 1 0.835 0.030 . 1 . . . . 14 LEU HD2 . 11160 1
61 . 1 1 14 14 LEU HD23 H 1 0.835 0.030 . 1 . . . . 14 LEU HD2 . 11160 1
62 . 1 1 14 14 LEU HG H 1 1.619 0.030 . 1 . . . . 14 LEU HG . 11160 1
63 . 1 1 14 14 LEU C C 13 178.844 0.300 . 1 . . . . 14 LEU C . 11160 1
64 . 1 1 14 14 LEU CA C 13 57.109 0.300 . 1 . . . . 14 LEU CA . 11160 1
65 . 1 1 14 14 LEU CB C 13 42.030 0.300 . 1 . . . . 14 LEU CB . 11160 1
66 . 1 1 14 14 LEU CD1 C 13 24.783 0.300 . 2 . . . . 14 LEU CD1 . 11160 1
67 . 1 1 14 14 LEU CD2 C 13 23.641 0.300 . 2 . . . . 14 LEU CD2 . 11160 1
68 . 1 1 14 14 LEU CG C 13 27.036 0.300 . 1 . . . . 14 LEU CG . 11160 1
69 . 1 1 14 14 LEU N N 15 123.568 0.300 . 1 . . . . 14 LEU N . 11160 1
70 . 1 1 15 15 LYS H H 1 8.437 0.030 . 1 . . . . 15 LYS H . 11160 1
71 . 1 1 15 15 LYS HA H 1 4.398 0.030 . 1 . . . . 15 LYS HA . 11160 1
72 . 1 1 15 15 LYS HB2 H 1 2.070 0.030 . 2 . . . . 15 LYS HB2 . 11160 1
73 . 1 1 15 15 LYS HB3 H 1 1.928 0.030 . 2 . . . . 15 LYS HB3 . 11160 1
74 . 1 1 15 15 LYS HD2 H 1 1.702 0.030 . 2 . . . . 15 LYS HD2 . 11160 1
75 . 1 1 15 15 LYS HD3 H 1 1.659 0.030 . 2 . . . . 15 LYS HD3 . 11160 1
76 . 1 1 15 15 LYS HE2 H 1 2.931 0.030 . 1 . . . . 15 LYS HE2 . 11160 1
77 . 1 1 15 15 LYS HE3 H 1 2.931 0.030 . 1 . . . . 15 LYS HE3 . 11160 1
78 . 1 1 15 15 LYS HG2 H 1 1.433 0.030 . 2 . . . . 15 LYS HG2 . 11160 1
79 . 1 1 15 15 LYS HG3 H 1 1.497 0.030 . 2 . . . . 15 LYS HG3 . 11160 1
80 . 1 1 15 15 LYS C C 13 177.964 0.300 . 1 . . . . 15 LYS C . 11160 1
81 . 1 1 15 15 LYS CA C 13 57.296 0.300 . 1 . . . . 15 LYS CA . 11160 1
82 . 1 1 15 15 LYS CB C 13 31.903 0.300 . 1 . . . . 15 LYS CB . 11160 1
83 . 1 1 15 15 LYS CD C 13 29.091 0.300 . 1 . . . . 15 LYS CD . 11160 1
84 . 1 1 15 15 LYS CE C 13 42.057 0.300 . 1 . . . . 15 LYS CE . 11160 1
85 . 1 1 15 15 LYS CG C 13 25.163 0.300 . 1 . . . . 15 LYS CG . 11160 1
86 . 1 1 15 15 LYS N N 15 118.572 0.300 . 1 . . . . 15 LYS N . 11160 1
87 . 1 1 16 16 TRP H H 1 8.513 0.030 . 1 . . . . 16 TRP H . 11160 1
88 . 1 1 16 16 TRP HA H 1 4.482 0.030 . 1 . . . . 16 TRP HA . 11160 1
89 . 1 1 16 16 TRP HB2 H 1 3.717 0.030 . 2 . . . . 16 TRP HB2 . 11160 1
90 . 1 1 16 16 TRP HB3 H 1 3.501 0.030 . 2 . . . . 16 TRP HB3 . 11160 1
91 . 1 1 16 16 TRP HD1 H 1 6.992 0.030 . 1 . . . . 16 TRP HD1 . 11160 1
92 . 1 1 16 16 TRP HE1 H 1 10.250 0.030 . 1 . . . . 16 TRP HE1 . 11160 1
93 . 1 1 16 16 TRP HE3 H 1 7.311 0.030 . 1 . . . . 16 TRP HE3 . 11160 1
94 . 1 1 16 16 TRP HH2 H 1 7.012 0.030 . 1 . . . . 16 TRP HH2 . 11160 1
95 . 1 1 16 16 TRP HZ2 H 1 7.344 0.030 . 1 . . . . 16 TRP HZ2 . 11160 1
96 . 1 1 16 16 TRP HZ3 H 1 6.806 0.030 . 1 . . . . 16 TRP HZ3 . 11160 1
97 . 1 1 16 16 TRP C C 13 177.159 0.300 . 1 . . . . 16 TRP C . 11160 1
98 . 1 1 16 16 TRP CA C 13 59.368 0.300 . 1 . . . . 16 TRP CA . 11160 1
99 . 1 1 16 16 TRP CB C 13 29.112 0.300 . 1 . . . . 16 TRP CB . 11160 1
100 . 1 1 16 16 TRP CD1 C 13 122.983 0.300 . 1 . . . . 16 TRP CD1 . 11160 1
101 . 1 1 16 16 TRP CE3 C 13 120.091 0.300 . 1 . . . . 16 TRP CE3 . 11160 1
102 . 1 1 16 16 TRP CH2 C 13 124.550 0.300 . 1 . . . . 16 TRP CH2 . 11160 1
103 . 1 1 16 16 TRP CZ2 C 13 114.638 0.300 . 1 . . . . 16 TRP CZ2 . 11160 1
104 . 1 1 16 16 TRP CZ3 C 13 121.043 0.300 . 1 . . . . 16 TRP CZ3 . 11160 1
105 . 1 1 16 16 TRP N N 15 119.998 0.300 . 1 . . . . 16 TRP N . 11160 1
106 . 1 1 16 16 TRP NE1 N 15 128.779 0.300 . 1 . . . . 16 TRP NE1 . 11160 1
107 . 1 1 17 17 GLU H H 1 8.345 0.030 . 1 . . . . 17 GLU H . 11160 1
108 . 1 1 17 17 GLU HA H 1 2.998 0.030 . 1 . . . . 17 GLU HA . 11160 1
109 . 1 1 17 17 GLU HB2 H 1 0.954 0.030 . 2 . . . . 17 GLU HB2 . 11160 1
110 . 1 1 17 17 GLU HB3 H 1 1.483 0.030 . 2 . . . . 17 GLU HB3 . 11160 1
111 . 1 1 17 17 GLU HG2 H 1 1.327 0.030 . 2 . . . . 17 GLU HG2 . 11160 1
112 . 1 1 17 17 GLU HG3 H 1 1.610 0.030 . 2 . . . . 17 GLU HG3 . 11160 1
113 . 1 1 17 17 GLU C C 13 179.536 0.300 . 1 . . . . 17 GLU C . 11160 1
114 . 1 1 17 17 GLU CA C 13 59.897 0.300 . 1 . . . . 17 GLU CA . 11160 1
115 . 1 1 17 17 GLU CB C 13 28.735 0.300 . 1 . . . . 17 GLU CB . 11160 1
116 . 1 1 17 17 GLU CG C 13 35.612 0.300 . 1 . . . . 17 GLU CG . 11160 1
117 . 1 1 17 17 GLU N N 15 121.723 0.300 . 1 . . . . 17 GLU N . 11160 1
118 . 1 1 18 18 LYS H H 1 7.728 0.030 . 1 . . . . 18 LYS H . 11160 1
119 . 1 1 18 18 LYS HA H 1 4.059 0.030 . 1 . . . . 18 LYS HA . 11160 1
120 . 1 1 18 18 LYS HB2 H 1 1.921 0.030 . 2 . . . . 18 LYS HB2 . 11160 1
121 . 1 1 18 18 LYS HB3 H 1 1.861 0.030 . 2 . . . . 18 LYS HB3 . 11160 1
122 . 1 1 18 18 LYS HD2 H 1 1.653 0.030 . 1 . . . . 18 LYS HD2 . 11160 1
123 . 1 1 18 18 LYS HD3 H 1 1.653 0.030 . 1 . . . . 18 LYS HD3 . 11160 1
124 . 1 1 18 18 LYS HE2 H 1 2.956 0.030 . 1 . . . . 18 LYS HE2 . 11160 1
125 . 1 1 18 18 LYS HE3 H 1 2.956 0.030 . 1 . . . . 18 LYS HE3 . 11160 1
126 . 1 1 18 18 LYS HG2 H 1 1.437 0.030 . 1 . . . . 18 LYS HG2 . 11160 1
127 . 1 1 18 18 LYS HG3 H 1 1.437 0.030 . 1 . . . . 18 LYS HG3 . 11160 1
128 . 1 1 18 18 LYS C C 13 178.703 0.300 . 1 . . . . 18 LYS C . 11160 1
129 . 1 1 18 18 LYS CA C 13 58.099 0.300 . 1 . . . . 18 LYS CA . 11160 1
130 . 1 1 18 18 LYS CB C 13 31.903 0.300 . 1 . . . . 18 LYS CB . 11160 1
131 . 1 1 18 18 LYS CD C 13 28.966 0.300 . 1 . . . . 18 LYS CD . 11160 1
132 . 1 1 18 18 LYS CE C 13 42.131 0.300 . 1 . . . . 18 LYS CE . 11160 1
133 . 1 1 18 18 LYS CG C 13 24.970 0.300 . 1 . . . . 18 LYS CG . 11160 1
134 . 1 1 18 18 LYS N N 15 117.935 0.300 . 1 . . . . 18 LYS N . 11160 1
135 . 1 1 19 19 GLU H H 1 7.535 0.030 . 1 . . . . 19 GLU H . 11160 1
136 . 1 1 19 19 GLU HA H 1 3.942 0.030 . 1 . . . . 19 GLU HA . 11160 1
137 . 1 1 19 19 GLU HB2 H 1 2.216 0.030 . 2 . . . . 19 GLU HB2 . 11160 1
138 . 1 1 19 19 GLU HB3 H 1 2.086 0.030 . 2 . . . . 19 GLU HB3 . 11160 1
139 . 1 1 19 19 GLU HG2 H 1 2.289 0.030 . 2 . . . . 19 GLU HG2 . 11160 1
140 . 1 1 19 19 GLU HG3 H 1 2.057 0.030 . 2 . . . . 19 GLU HG3 . 11160 1
141 . 1 1 19 19 GLU C C 13 179.443 0.300 . 1 . . . . 19 GLU C . 11160 1
142 . 1 1 19 19 GLU CA C 13 58.352 0.300 . 1 . . . . 19 GLU CA . 11160 1
143 . 1 1 19 19 GLU CB C 13 29.327 0.300 . 1 . . . . 19 GLU CB . 11160 1
144 . 1 1 19 19 GLU CG C 13 35.931 0.300 . 1 . . . . 19 GLU CG . 11160 1
145 . 1 1 19 19 GLU N N 15 118.013 0.300 . 1 . . . . 19 GLU N . 11160 1
146 . 1 1 20 20 GLU H H 1 7.934 0.030 . 1 . . . . 20 GLU H . 11160 1
147 . 1 1 20 20 GLU HA H 1 4.288 0.030 . 1 . . . . 20 GLU HA . 11160 1
148 . 1 1 20 20 GLU HB2 H 1 2.180 0.030 . 2 . . . . 20 GLU HB2 . 11160 1
149 . 1 1 20 20 GLU HB3 H 1 2.100 0.030 . 2 . . . . 20 GLU HB3 . 11160 1
150 . 1 1 20 20 GLU HG2 H 1 2.517 0.030 . 2 . . . . 20 GLU HG2 . 11160 1
151 . 1 1 20 20 GLU HG3 H 1 2.239 0.030 . 2 . . . . 20 GLU HG3 . 11160 1
152 . 1 1 20 20 GLU C C 13 178.929 0.300 . 1 . . . . 20 GLU C . 11160 1
153 . 1 1 20 20 GLU CA C 13 59.301 0.300 . 1 . . . . 20 GLU CA . 11160 1
154 . 1 1 20 20 GLU CB C 13 29.955 0.300 . 1 . . . . 20 GLU CB . 11160 1
155 . 1 1 20 20 GLU CG C 13 37.684 0.300 . 1 . . . . 20 GLU CG . 11160 1
156 . 1 1 20 20 GLU N N 15 119.875 0.300 . 1 . . . . 20 GLU N . 11160 1
157 . 1 1 21 21 ALA H H 1 7.273 0.030 . 1 . . . . 21 ALA H . 11160 1
158 . 1 1 21 21 ALA HA H 1 4.244 0.030 . 1 . . . . 21 ALA HA . 11160 1
159 . 1 1 21 21 ALA HB1 H 1 1.458 0.030 . 1 . . . . 21 ALA HB . 11160 1
160 . 1 1 21 21 ALA HB2 H 1 1.458 0.030 . 1 . . . . 21 ALA HB . 11160 1
161 . 1 1 21 21 ALA HB3 H 1 1.458 0.030 . 1 . . . . 21 ALA HB . 11160 1
162 . 1 1 21 21 ALA C C 13 178.374 0.300 . 1 . . . . 21 ALA C . 11160 1
163 . 1 1 21 21 ALA CA C 13 53.258 0.300 . 1 . . . . 21 ALA CA . 11160 1
164 . 1 1 21 21 ALA CB C 13 18.452 0.300 . 1 . . . . 21 ALA CB . 11160 1
165 . 1 1 21 21 ALA N N 15 119.167 0.300 . 1 . . . . 21 ALA N . 11160 1
166 . 1 1 22 22 LEU H H 1 7.258 0.030 . 1 . . . . 22 LEU H . 11160 1
167 . 1 1 22 22 LEU HA H 1 4.186 0.030 . 1 . . . . 22 LEU HA . 11160 1
168 . 1 1 22 22 LEU HB2 H 1 1.141 0.030 . 2 . . . . 22 LEU HB2 . 11160 1
169 . 1 1 22 22 LEU HB3 H 1 1.783 0.030 . 2 . . . . 22 LEU HB3 . 11160 1
170 . 1 1 22 22 LEU HD11 H 1 0.874 0.030 . 1 . . . . 22 LEU HD1 . 11160 1
171 . 1 1 22 22 LEU HD12 H 1 0.874 0.030 . 1 . . . . 22 LEU HD1 . 11160 1
172 . 1 1 22 22 LEU HD13 H 1 0.874 0.030 . 1 . . . . 22 LEU HD1 . 11160 1
173 . 1 1 22 22 LEU HD21 H 1 0.770 0.030 . 1 . . . . 22 LEU HD2 . 11160 1
174 . 1 1 22 22 LEU HD22 H 1 0.770 0.030 . 1 . . . . 22 LEU HD2 . 11160 1
175 . 1 1 22 22 LEU HD23 H 1 0.770 0.030 . 1 . . . . 22 LEU HD2 . 11160 1
176 . 1 1 22 22 LEU HG H 1 1.720 0.030 . 1 . . . . 22 LEU HG . 11160 1
177 . 1 1 22 22 LEU C C 13 179.362 0.300 . 1 . . . . 22 LEU C . 11160 1
178 . 1 1 22 22 LEU CA C 13 54.977 0.300 . 1 . . . . 22 LEU CA . 11160 1
179 . 1 1 22 22 LEU CB C 13 42.188 0.300 . 1 . . . . 22 LEU CB . 11160 1
180 . 1 1 22 22 LEU CD1 C 13 25.875 0.300 . 2 . . . . 22 LEU CD1 . 11160 1
181 . 1 1 22 22 LEU CD2 C 13 22.446 0.300 . 2 . . . . 22 LEU CD2 . 11160 1
182 . 1 1 22 22 LEU CG C 13 26.569 0.300 . 1 . . . . 22 LEU CG . 11160 1
183 . 1 1 22 22 LEU N N 15 116.138 0.300 . 1 . . . . 22 LEU N . 11160 1
184 . 1 1 23 23 GLY H H 1 7.550 0.030 . 1 . . . . 23 GLY H . 11160 1
185 . 1 1 23 23 GLY HA2 H 1 3.930 0.030 . 2 . . . . 23 GLY HA2 . 11160 1
186 . 1 1 23 23 GLY HA3 H 1 3.839 0.030 . 2 . . . . 23 GLY HA3 . 11160 1
187 . 1 1 23 23 GLY C C 13 176.763 0.300 . 1 . . . . 23 GLY C . 11160 1
188 . 1 1 23 23 GLY CA C 13 47.399 0.300 . 1 . . . . 23 GLY CA . 11160 1
189 . 1 1 23 23 GLY N N 15 110.105 0.300 . 1 . . . . 23 GLY N . 11160 1
190 . 1 1 24 24 GLU H H 1 9.465 0.030 . 1 . . . . 24 GLU H . 11160 1
191 . 1 1 24 24 GLU HA H 1 4.080 0.030 . 1 . . . . 24 GLU HA . 11160 1
192 . 1 1 24 24 GLU HB2 H 1 2.184 0.030 . 2 . . . . 24 GLU HB2 . 11160 1
193 . 1 1 24 24 GLU HB3 H 1 2.075 0.030 . 2 . . . . 24 GLU HB3 . 11160 1
194 . 1 1 24 24 GLU HG2 H 1 2.327 0.030 . 2 . . . . 24 GLU HG2 . 11160 1
195 . 1 1 24 24 GLU HG3 H 1 2.239 0.030 . 2 . . . . 24 GLU HG3 . 11160 1
196 . 1 1 24 24 GLU C C 13 175.067 0.300 . 1 . . . . 24 GLU C . 11160 1
197 . 1 1 24 24 GLU CA C 13 58.029 0.300 . 1 . . . . 24 GLU CA . 11160 1
198 . 1 1 24 24 GLU CB C 13 28.811 0.300 . 1 . . . . 24 GLU CB . 11160 1
199 . 1 1 24 24 GLU CG C 13 36.592 0.300 . 1 . . . . 24 GLU CG . 11160 1
200 . 1 1 24 24 GLU N N 15 127.402 0.300 . 1 . . . . 24 GLU N . 11160 1
201 . 1 1 25 25 MET H H 1 7.949 0.030 . 1 . . . . 25 MET H . 11160 1
202 . 1 1 25 25 MET HA H 1 4.653 0.030 . 1 . . . . 25 MET HA . 11160 1
203 . 1 1 25 25 MET HB2 H 1 2.017 0.030 . 2 . . . . 25 MET HB2 . 11160 1
204 . 1 1 25 25 MET HB3 H 1 2.333 0.030 . 2 . . . . 25 MET HB3 . 11160 1
205 . 1 1 25 25 MET HE1 H 1 1.999 0.030 . 1 . . . . 25 MET HE . 11160 1
206 . 1 1 25 25 MET HE2 H 1 1.999 0.030 . 1 . . . . 25 MET HE . 11160 1
207 . 1 1 25 25 MET HE3 H 1 1.999 0.030 . 1 . . . . 25 MET HE . 11160 1
208 . 1 1 25 25 MET HG2 H 1 2.697 0.030 . 2 . . . . 25 MET HG2 . 11160 1
209 . 1 1 25 25 MET HG3 H 1 2.388 0.030 . 2 . . . . 25 MET HG3 . 11160 1
210 . 1 1 25 25 MET C C 13 175.084 0.300 . 1 . . . . 25 MET C . 11160 1
211 . 1 1 25 25 MET CA C 13 53.704 0.300 . 1 . . . . 25 MET CA . 11160 1
212 . 1 1 25 25 MET CB C 13 30.546 0.300 . 1 . . . . 25 MET CB . 11160 1
213 . 1 1 25 25 MET CE C 13 16.123 0.300 . 1 . . . . 25 MET CE . 11160 1
214 . 1 1 25 25 MET CG C 13 32.247 0.300 . 1 . . . . 25 MET CG . 11160 1
215 . 1 1 25 25 MET N N 15 116.254 0.300 . 1 . . . . 25 MET N . 11160 1
216 . 1 1 26 26 ALA H H 1 6.735 0.030 . 1 . . . . 26 ALA H . 11160 1
217 . 1 1 26 26 ALA HA H 1 4.178 0.030 . 1 . . . . 26 ALA HA . 11160 1
218 . 1 1 26 26 ALA HB1 H 1 1.362 0.030 . 1 . . . . 26 ALA HB . 11160 1
219 . 1 1 26 26 ALA HB2 H 1 1.362 0.030 . 1 . . . . 26 ALA HB . 11160 1
220 . 1 1 26 26 ALA HB3 H 1 1.362 0.030 . 1 . . . . 26 ALA HB . 11160 1
221 . 1 1 26 26 ALA C C 13 177.393 0.300 . 1 . . . . 26 ALA C . 11160 1
222 . 1 1 26 26 ALA CA C 13 53.574 0.300 . 1 . . . . 26 ALA CA . 11160 1
223 . 1 1 26 26 ALA CB C 13 18.941 0.300 . 1 . . . . 26 ALA CB . 11160 1
224 . 1 1 26 26 ALA N N 15 119.781 0.300 . 1 . . . . 26 ALA N . 11160 1
225 . 1 1 27 27 THR H H 1 10.188 0.030 . 1 . . . . 27 THR H . 11160 1
226 . 1 1 27 27 THR HA H 1 4.604 0.030 . 1 . . . . 27 THR HA . 11160 1
227 . 1 1 27 27 THR HB H 1 4.320 0.030 . 1 . . . . 27 THR HB . 11160 1
228 . 1 1 27 27 THR HG21 H 1 1.181 0.030 . 1 . . . . 27 THR HG2 . 11160 1
229 . 1 1 27 27 THR HG22 H 1 1.181 0.030 . 1 . . . . 27 THR HG2 . 11160 1
230 . 1 1 27 27 THR HG23 H 1 1.181 0.030 . 1 . . . . 27 THR HG2 . 11160 1
231 . 1 1 27 27 THR C C 13 173.567 0.300 . 1 . . . . 27 THR C . 11160 1
232 . 1 1 27 27 THR CA C 13 61.782 0.300 . 1 . . . . 27 THR CA . 11160 1
233 . 1 1 27 27 THR CB C 13 70.105 0.300 . 1 . . . . 27 THR CB . 11160 1
234 . 1 1 27 27 THR CG2 C 13 21.868 0.300 . 1 . . . . 27 THR CG2 . 11160 1
235 . 1 1 27 27 THR N N 15 110.963 0.300 . 1 . . . . 27 THR N . 11160 1
236 . 1 1 28 28 VAL H H 1 6.650 0.030 . 1 . . . . 28 VAL H . 11160 1
237 . 1 1 28 28 VAL HA H 1 4.154 0.030 . 1 . . . . 28 VAL HA . 11160 1
238 . 1 1 28 28 VAL HB H 1 1.275 0.030 . 1 . . . . 28 VAL HB . 11160 1
239 . 1 1 28 28 VAL HG11 H 1 0.184 0.030 . 1 . . . . 28 VAL HG1 . 11160 1
240 . 1 1 28 28 VAL HG12 H 1 0.184 0.030 . 1 . . . . 28 VAL HG1 . 11160 1
241 . 1 1 28 28 VAL HG13 H 1 0.184 0.030 . 1 . . . . 28 VAL HG1 . 11160 1
242 . 1 1 28 28 VAL HG21 H 1 0.679 0.030 . 1 . . . . 28 VAL HG2 . 11160 1
243 . 1 1 28 28 VAL HG22 H 1 0.679 0.030 . 1 . . . . 28 VAL HG2 . 11160 1
244 . 1 1 28 28 VAL HG23 H 1 0.679 0.030 . 1 . . . . 28 VAL HG2 . 11160 1
245 . 1 1 28 28 VAL C C 13 176.031 0.300 . 1 . . . . 28 VAL C . 11160 1
246 . 1 1 28 28 VAL CA C 13 60.038 0.300 . 1 . . . . 28 VAL CA . 11160 1
247 . 1 1 28 28 VAL CB C 13 34.014 0.300 . 1 . . . . 28 VAL CB . 11160 1
248 . 1 1 28 28 VAL CG1 C 13 20.875 0.300 . 2 . . . . 28 VAL CG1 . 11160 1
249 . 1 1 28 28 VAL CG2 C 13 20.715 0.300 . 2 . . . . 28 VAL CG2 . 11160 1
250 . 1 1 28 28 VAL N N 15 121.391 0.300 . 1 . . . . 28 VAL N . 11160 1
251 . 1 1 29 29 ALA H H 1 9.157 0.030 . 1 . . . . 29 ALA H . 11160 1
252 . 1 1 29 29 ALA HA H 1 3.725 0.030 . 1 . . . . 29 ALA HA . 11160 1
253 . 1 1 29 29 ALA HB1 H 1 1.177 0.030 . 1 . . . . 29 ALA HB . 11160 1
254 . 1 1 29 29 ALA HB2 H 1 1.177 0.030 . 1 . . . . 29 ALA HB . 11160 1
255 . 1 1 29 29 ALA HB3 H 1 1.177 0.030 . 1 . . . . 29 ALA HB . 11160 1
256 . 1 1 29 29 ALA C C 13 173.760 0.300 . 1 . . . . 29 ALA C . 11160 1
257 . 1 1 29 29 ALA CA C 13 57.146 0.300 . 1 . . . . 29 ALA CA . 11160 1
258 . 1 1 29 29 ALA CB C 13 16.843 0.300 . 1 . . . . 29 ALA CB . 11160 1
259 . 1 1 29 29 ALA N N 15 131.246 0.300 . 1 . . . . 29 ALA N . 11160 1
260 . 1 1 30 30 PRO HA H 1 2.939 0.030 . 1 . . . . 30 PRO HA . 11160 1
261 . 1 1 30 30 PRO HB2 H 1 0.626 0.030 . 2 . . . . 30 PRO HB2 . 11160 1
262 . 1 1 30 30 PRO HB3 H 1 1.144 0.030 . 2 . . . . 30 PRO HB3 . 11160 1
263 . 1 1 30 30 PRO HD2 H 1 3.107 0.030 . 2 . . . . 30 PRO HD2 . 11160 1
264 . 1 1 30 30 PRO HD3 H 1 2.376 0.030 . 2 . . . . 30 PRO HD3 . 11160 1
265 . 1 1 30 30 PRO HG2 H 1 1.116 0.030 . 2 . . . . 30 PRO HG2 . 11160 1
266 . 1 1 30 30 PRO HG3 H 1 0.458 0.030 . 2 . . . . 30 PRO HG3 . 11160 1
267 . 1 1 30 30 PRO CA C 13 65.510 0.300 . 1 . . . . 30 PRO CA . 11160 1
268 . 1 1 30 30 PRO CB C 13 30.084 0.300 . 1 . . . . 30 PRO CB . 11160 1
269 . 1 1 30 30 PRO CD C 13 48.662 0.300 . 1 . . . . 30 PRO CD . 11160 1
270 . 1 1 30 30 PRO CG C 13 26.968 0.300 . 1 . . . . 30 PRO CG . 11160 1
271 . 1 1 31 31 VAL H H 1 5.453 0.030 . 1 . . . . 31 VAL H . 11160 1
272 . 1 1 31 31 VAL HA H 1 3.672 0.030 . 1 . . . . 31 VAL HA . 11160 1
273 . 1 1 31 31 VAL HB H 1 1.380 0.030 . 1 . . . . 31 VAL HB . 11160 1
274 . 1 1 31 31 VAL HG11 H 1 0.805 0.030 . 1 . . . . 31 VAL HG1 . 11160 1
275 . 1 1 31 31 VAL HG12 H 1 0.805 0.030 . 1 . . . . 31 VAL HG1 . 11160 1
276 . 1 1 31 31 VAL HG13 H 1 0.805 0.030 . 1 . . . . 31 VAL HG1 . 11160 1
277 . 1 1 31 31 VAL HG21 H 1 0.270 0.030 . 1 . . . . 31 VAL HG2 . 11160 1
278 . 1 1 31 31 VAL HG22 H 1 0.270 0.030 . 1 . . . . 31 VAL HG2 . 11160 1
279 . 1 1 31 31 VAL HG23 H 1 0.270 0.030 . 1 . . . . 31 VAL HG2 . 11160 1
280 . 1 1 31 31 VAL C C 13 176.546 0.300 . 1 . . . . 31 VAL C . 11160 1
281 . 1 1 31 31 VAL CA C 13 63.589 0.300 . 1 . . . . 31 VAL CA . 11160 1
282 . 1 1 31 31 VAL CB C 13 32.084 0.300 . 1 . . . . 31 VAL CB . 11160 1
283 . 1 1 31 31 VAL CG1 C 13 21.353 0.300 . 2 . . . . 31 VAL CG1 . 11160 1
284 . 1 1 31 31 VAL CG2 C 13 22.429 0.300 . 2 . . . . 31 VAL CG2 . 11160 1
285 . 1 1 31 31 VAL N N 15 111.271 0.300 . 1 . . . . 31 VAL N . 11160 1
286 . 1 1 32 32 LEU H H 1 7.873 0.030 . 1 . . . . 32 LEU H . 11160 1
287 . 1 1 32 32 LEU HA H 1 3.860 0.030 . 1 . . . . 32 LEU HA . 11160 1
288 . 1 1 32 32 LEU HB2 H 1 2.043 0.030 . 2 . . . . 32 LEU HB2 . 11160 1
289 . 1 1 32 32 LEU HB3 H 1 1.283 0.030 . 2 . . . . 32 LEU HB3 . 11160 1
290 . 1 1 32 32 LEU HD11 H 1 1.108 0.030 . 1 . . . . 32 LEU HD1 . 11160 1
291 . 1 1 32 32 LEU HD12 H 1 1.108 0.030 . 1 . . . . 32 LEU HD1 . 11160 1
292 . 1 1 32 32 LEU HD13 H 1 1.108 0.030 . 1 . . . . 32 LEU HD1 . 11160 1
293 . 1 1 32 32 LEU HD21 H 1 1.081 0.030 . 1 . . . . 32 LEU HD2 . 11160 1
294 . 1 1 32 32 LEU HD22 H 1 1.081 0.030 . 1 . . . . 32 LEU HD2 . 11160 1
295 . 1 1 32 32 LEU HD23 H 1 1.081 0.030 . 1 . . . . 32 LEU HD2 . 11160 1
296 . 1 1 32 32 LEU HG H 1 1.752 0.030 . 1 . . . . 32 LEU HG . 11160 1
297 . 1 1 32 32 LEU C C 13 177.601 0.300 . 1 . . . . 32 LEU C . 11160 1
298 . 1 1 32 32 LEU CA C 13 58.506 0.300 . 1 . . . . 32 LEU CA . 11160 1
299 . 1 1 32 32 LEU CB C 13 42.126 0.300 . 1 . . . . 32 LEU CB . 11160 1
300 . 1 1 32 32 LEU CD1 C 13 24.339 0.300 . 2 . . . . 32 LEU CD1 . 11160 1
301 . 1 1 32 32 LEU CD2 C 13 27.222 0.300 . 2 . . . . 32 LEU CD2 . 11160 1
302 . 1 1 32 32 LEU CG C 13 27.354 0.300 . 1 . . . . 32 LEU CG . 11160 1
303 . 1 1 32 32 LEU N N 15 121.258 0.300 . 1 . . . . 32 LEU N . 11160 1
304 . 1 1 33 33 TYR H H 1 8.253 0.030 . 1 . . . . 33 TYR H . 11160 1
305 . 1 1 33 33 TYR HA H 1 3.586 0.030 . 1 . . . . 33 TYR HA . 11160 1
306 . 1 1 33 33 TYR HB2 H 1 3.240 0.030 . 2 . . . . 33 TYR HB2 . 11160 1
307 . 1 1 33 33 TYR HB3 H 1 2.750 0.030 . 2 . . . . 33 TYR HB3 . 11160 1
308 . 1 1 33 33 TYR HD1 H 1 6.420 0.030 . 1 . . . . 33 TYR HD1 . 11160 1
309 . 1 1 33 33 TYR HD2 H 1 6.420 0.030 . 1 . . . . 33 TYR HD2 . 11160 1
310 . 1 1 33 33 TYR HE1 H 1 6.657 0.030 . 1 . . . . 33 TYR HE1 . 11160 1
311 . 1 1 33 33 TYR HE2 H 1 6.657 0.030 . 1 . . . . 33 TYR HE2 . 11160 1
312 . 1 1 33 33 TYR C C 13 178.997 0.300 . 1 . . . . 33 TYR C . 11160 1
313 . 1 1 33 33 TYR CA C 13 61.642 0.300 . 1 . . . . 33 TYR CA . 11160 1
314 . 1 1 33 33 TYR CB C 13 38.970 0.300 . 1 . . . . 33 TYR CB . 11160 1
315 . 1 1 33 33 TYR CD1 C 13 132.895 0.300 . 1 . . . . 33 TYR CD1 . 11160 1
316 . 1 1 33 33 TYR CD2 C 13 132.895 0.300 . 1 . . . . 33 TYR CD2 . 11160 1
317 . 1 1 33 33 TYR CE1 C 13 117.510 0.300 . 1 . . . . 33 TYR CE1 . 11160 1
318 . 1 1 33 33 TYR CE2 C 13 117.510 0.300 . 1 . . . . 33 TYR CE2 . 11160 1
319 . 1 1 33 33 TYR N N 15 114.986 0.300 . 1 . . . . 33 TYR N . 11160 1
320 . 1 1 34 34 THR H H 1 8.101 0.030 . 1 . . . . 34 THR H . 11160 1
321 . 1 1 34 34 THR HA H 1 4.126 0.030 . 1 . . . . 34 THR HA . 11160 1
322 . 1 1 34 34 THR HB H 1 4.345 0.030 . 1 . . . . 34 THR HB . 11160 1
323 . 1 1 34 34 THR HG21 H 1 1.449 0.030 . 1 . . . . 34 THR HG2 . 11160 1
324 . 1 1 34 34 THR HG22 H 1 1.449 0.030 . 1 . . . . 34 THR HG2 . 11160 1
325 . 1 1 34 34 THR HG23 H 1 1.449 0.030 . 1 . . . . 34 THR HG2 . 11160 1
326 . 1 1 34 34 THR C C 13 177.185 0.300 . 1 . . . . 34 THR C . 11160 1
327 . 1 1 34 34 THR CA C 13 66.343 0.300 . 1 . . . . 34 THR CA . 11160 1
328 . 1 1 34 34 THR CB C 13 67.685 0.300 . 1 . . . . 34 THR CB . 11160 1
329 . 1 1 34 34 THR CG2 C 13 24.678 0.300 . 1 . . . . 34 THR CG2 . 11160 1
330 . 1 1 34 34 THR N N 15 112.645 0.300 . 1 . . . . 34 THR N . 11160 1
331 . 1 1 35 35 ASN H H 1 9.287 0.030 . 1 . . . . 35 ASN H . 11160 1
332 . 1 1 35 35 ASN HA H 1 4.453 0.030 . 1 . . . . 35 ASN HA . 11160 1
333 . 1 1 35 35 ASN HB2 H 1 2.582 0.030 . 2 . . . . 35 ASN HB2 . 11160 1
334 . 1 1 35 35 ASN HB3 H 1 3.089 0.030 . 2 . . . . 35 ASN HB3 . 11160 1
335 . 1 1 35 35 ASN HD21 H 1 6.610 0.030 . 2 . . . . 35 ASN HD21 . 11160 1
336 . 1 1 35 35 ASN HD22 H 1 7.866 0.030 . 2 . . . . 35 ASN HD22 . 11160 1
337 . 1 1 35 35 ASN C C 13 178.099 0.300 . 1 . . . . 35 ASN C . 11160 1
338 . 1 1 35 35 ASN CA C 13 55.012 0.300 . 1 . . . . 35 ASN CA . 11160 1
339 . 1 1 35 35 ASN CB C 13 37.178 0.300 . 1 . . . . 35 ASN CB . 11160 1
340 . 1 1 35 35 ASN N N 15 123.450 0.300 . 1 . . . . 35 ASN N . 11160 1
341 . 1 1 35 35 ASN ND2 N 15 106.322 0.300 . 1 . . . . 35 ASN ND2 . 11160 1
342 . 1 1 36 36 ILE H H 1 7.628 0.030 . 1 . . . . 36 ILE H . 11160 1
343 . 1 1 36 36 ILE HA H 1 3.816 0.030 . 1 . . . . 36 ILE HA . 11160 1
344 . 1 1 36 36 ILE HB H 1 1.699 0.030 . 1 . . . . 36 ILE HB . 11160 1
345 . 1 1 36 36 ILE HD11 H 1 1.024 0.030 . 1 . . . . 36 ILE HD1 . 11160 1
346 . 1 1 36 36 ILE HD12 H 1 1.024 0.030 . 1 . . . . 36 ILE HD1 . 11160 1
347 . 1 1 36 36 ILE HD13 H 1 1.024 0.030 . 1 . . . . 36 ILE HD1 . 11160 1
348 . 1 1 36 36 ILE HG12 H 1 1.272 0.030 . 2 . . . . 36 ILE HG12 . 11160 1
349 . 1 1 36 36 ILE HG13 H 1 1.780 0.030 . 2 . . . . 36 ILE HG13 . 11160 1
350 . 1 1 36 36 ILE HG21 H 1 0.906 0.030 . 1 . . . . 36 ILE HG2 . 11160 1
351 . 1 1 36 36 ILE HG22 H 1 0.906 0.030 . 1 . . . . 36 ILE HG2 . 11160 1
352 . 1 1 36 36 ILE HG23 H 1 0.906 0.030 . 1 . . . . 36 ILE HG2 . 11160 1
353 . 1 1 36 36 ILE C C 13 177.061 0.300 . 1 . . . . 36 ILE C . 11160 1
354 . 1 1 36 36 ILE CA C 13 63.783 0.300 . 1 . . . . 36 ILE CA . 11160 1
355 . 1 1 36 36 ILE CB C 13 39.211 0.300 . 1 . . . . 36 ILE CB . 11160 1
356 . 1 1 36 36 ILE CD1 C 13 13.350 0.300 . 1 . . . . 36 ILE CD1 . 11160 1
357 . 1 1 36 36 ILE CG1 C 13 29.231 0.300 . 1 . . . . 36 ILE CG1 . 11160 1
358 . 1 1 36 36 ILE CG2 C 13 16.707 0.300 . 1 . . . . 36 ILE CG2 . 11160 1
359 . 1 1 36 36 ILE N N 15 115.073 0.300 . 1 . . . . 36 ILE N . 11160 1
360 . 1 1 37 37 ASN H H 1 7.801 0.030 . 1 . . . . 37 ASN H . 11160 1
361 . 1 1 37 37 ASN HA H 1 4.294 0.030 . 1 . . . . 37 ASN HA . 11160 1
362 . 1 1 37 37 ASN HB2 H 1 1.872 0.030 . 2 . . . . 37 ASN HB2 . 11160 1
363 . 1 1 37 37 ASN HB3 H 1 1.757 0.030 . 2 . . . . 37 ASN HB3 . 11160 1
364 . 1 1 37 37 ASN HD21 H 1 6.973 0.030 . 2 . . . . 37 ASN HD21 . 11160 1
365 . 1 1 37 37 ASN HD22 H 1 6.393 0.030 . 2 . . . . 37 ASN HD22 . 11160 1
366 . 1 1 37 37 ASN C C 13 174.154 0.300 . 1 . . . . 37 ASN C . 11160 1
367 . 1 1 37 37 ASN CA C 13 55.643 0.300 . 1 . . . . 37 ASN CA . 11160 1
368 . 1 1 37 37 ASN CB C 13 40.573 0.300 . 1 . . . . 37 ASN CB . 11160 1
369 . 1 1 37 37 ASN N N 15 113.567 0.300 . 1 . . . . 37 ASN N . 11160 1
370 . 1 1 37 37 ASN ND2 N 15 115.175 0.300 . 1 . . . . 37 ASN ND2 . 11160 1
371 . 1 1 38 38 PHE H H 1 8.587 0.030 . 1 . . . . 38 PHE H . 11160 1
372 . 1 1 38 38 PHE HA H 1 5.049 0.030 . 1 . . . . 38 PHE HA . 11160 1
373 . 1 1 38 38 PHE HB2 H 1 2.807 0.030 . 2 . . . . 38 PHE HB2 . 11160 1
374 . 1 1 38 38 PHE HB3 H 1 3.214 0.030 . 2 . . . . 38 PHE HB3 . 11160 1
375 . 1 1 38 38 PHE HD1 H 1 7.056 0.030 . 1 . . . . 38 PHE HD1 . 11160 1
376 . 1 1 38 38 PHE HD2 H 1 7.056 0.030 . 1 . . . . 38 PHE HD2 . 11160 1
377 . 1 1 38 38 PHE HE1 H 1 7.222 0.030 . 1 . . . . 38 PHE HE1 . 11160 1
378 . 1 1 38 38 PHE HE2 H 1 7.222 0.030 . 1 . . . . 38 PHE HE2 . 11160 1
379 . 1 1 38 38 PHE HZ H 1 7.356 0.030 . 1 . . . . 38 PHE HZ . 11160 1
380 . 1 1 38 38 PHE C C 13 174.076 0.300 . 1 . . . . 38 PHE C . 11160 1
381 . 1 1 38 38 PHE CA C 13 55.798 0.300 . 1 . . . . 38 PHE CA . 11160 1
382 . 1 1 38 38 PHE CB C 13 39.663 0.300 . 1 . . . . 38 PHE CB . 11160 1
383 . 1 1 38 38 PHE CD1 C 13 132.152 0.300 . 1 . . . . 38 PHE CD1 . 11160 1
384 . 1 1 38 38 PHE CD2 C 13 132.152 0.300 . 1 . . . . 38 PHE CD2 . 11160 1
385 . 1 1 38 38 PHE CE1 C 13 131.221 0.300 . 1 . . . . 38 PHE CE1 . 11160 1
386 . 1 1 38 38 PHE CE2 C 13 131.221 0.300 . 1 . . . . 38 PHE CE2 . 11160 1
387 . 1 1 38 38 PHE CZ C 13 130.278 0.300 . 1 . . . . 38 PHE CZ . 11160 1
388 . 1 1 38 38 PHE N N 15 117.436 0.300 . 1 . . . . 38 PHE N . 11160 1
389 . 1 1 39 39 PRO HA H 1 4.501 0.030 . 1 . . . . 39 PRO HA . 11160 1
390 . 1 1 39 39 PRO HB2 H 1 2.034 0.030 . 2 . . . . 39 PRO HB2 . 11160 1
391 . 1 1 39 39 PRO HB3 H 1 2.374 0.030 . 2 . . . . 39 PRO HB3 . 11160 1
392 . 1 1 39 39 PRO HD2 H 1 3.504 0.030 . 2 . . . . 39 PRO HD2 . 11160 1
393 . 1 1 39 39 PRO HD3 H 1 3.141 0.030 . 2 . . . . 39 PRO HD3 . 11160 1
394 . 1 1 39 39 PRO HG2 H 1 1.843 0.030 . 2 . . . . 39 PRO HG2 . 11160 1
395 . 1 1 39 39 PRO HG3 H 1 1.974 0.030 . 2 . . . . 39 PRO HG3 . 11160 1
396 . 1 1 39 39 PRO C C 13 177.323 0.300 . 1 . . . . 39 PRO C . 11160 1
397 . 1 1 39 39 PRO CA C 13 64.665 0.300 . 1 . . . . 39 PRO CA . 11160 1
398 . 1 1 39 39 PRO CB C 13 31.946 0.300 . 1 . . . . 39 PRO CB . 11160 1
399 . 1 1 39 39 PRO CD C 13 50.435 0.300 . 1 . . . . 39 PRO CD . 11160 1
400 . 1 1 39 39 PRO CG C 13 27.140 0.300 . 1 . . . . 39 PRO CG . 11160 1
401 . 1 1 40 40 ASN H H 1 8.797 0.030 . 1 . . . . 40 ASN H . 11160 1
402 . 1 1 40 40 ASN HA H 1 5.113 0.030 . 1 . . . . 40 ASN HA . 11160 1
403 . 1 1 40 40 ASN HB2 H 1 2.759 0.030 . 2 . . . . 40 ASN HB2 . 11160 1
404 . 1 1 40 40 ASN HB3 H 1 3.035 0.030 . 2 . . . . 40 ASN HB3 . 11160 1
405 . 1 1 40 40 ASN HD21 H 1 6.958 0.030 . 2 . . . . 40 ASN HD21 . 11160 1
406 . 1 1 40 40 ASN HD22 H 1 7.768 0.030 . 2 . . . . 40 ASN HD22 . 11160 1
407 . 1 1 40 40 ASN C C 13 176.689 0.300 . 1 . . . . 40 ASN C . 11160 1
408 . 1 1 40 40 ASN CA C 13 52.909 0.300 . 1 . . . . 40 ASN CA . 11160 1
409 . 1 1 40 40 ASN CB C 13 38.585 0.300 . 1 . . . . 40 ASN CB . 11160 1
410 . 1 1 40 40 ASN N N 15 116.707 0.300 . 1 . . . . 40 ASN N . 11160 1
411 . 1 1 40 40 ASN ND2 N 15 113.632 0.300 . 1 . . . . 40 ASN ND2 . 11160 1
412 . 1 1 41 41 LEU H H 1 7.826 0.030 . 1 . . . . 41 LEU H . 11160 1
413 . 1 1 41 41 LEU HA H 1 4.244 0.030 . 1 . . . . 41 LEU HA . 11160 1
414 . 1 1 41 41 LEU HB2 H 1 2.150 0.030 . 2 . . . . 41 LEU HB2 . 11160 1
415 . 1 1 41 41 LEU HB3 H 1 1.866 0.030 . 2 . . . . 41 LEU HB3 . 11160 1
416 . 1 1 41 41 LEU HD11 H 1 0.983 0.030 . 1 . . . . 41 LEU HD1 . 11160 1
417 . 1 1 41 41 LEU HD12 H 1 0.983 0.030 . 1 . . . . 41 LEU HD1 . 11160 1
418 . 1 1 41 41 LEU HD13 H 1 0.983 0.030 . 1 . . . . 41 LEU HD1 . 11160 1
419 . 1 1 41 41 LEU HD21 H 1 0.880 0.030 . 1 . . . . 41 LEU HD2 . 11160 1
420 . 1 1 41 41 LEU HD22 H 1 0.880 0.030 . 1 . . . . 41 LEU HD2 . 11160 1
421 . 1 1 41 41 LEU HD23 H 1 0.880 0.030 . 1 . . . . 41 LEU HD2 . 11160 1
422 . 1 1 41 41 LEU HG H 1 1.902 0.030 . 1 . . . . 41 LEU HG . 11160 1
423 . 1 1 41 41 LEU C C 13 178.517 0.300 . 1 . . . . 41 LEU C . 11160 1
424 . 1 1 41 41 LEU CA C 13 58.836 0.300 . 1 . . . . 41 LEU CA . 11160 1
425 . 1 1 41 41 LEU CB C 13 42.608 0.300 . 1 . . . . 41 LEU CB . 11160 1
426 . 1 1 41 41 LEU CD1 C 13 25.080 0.300 . 2 . . . . 41 LEU CD1 . 11160 1
427 . 1 1 41 41 LEU CD2 C 13 25.883 0.300 . 2 . . . . 41 LEU CD2 . 11160 1
428 . 1 1 41 41 LEU CG C 13 26.895 0.300 . 1 . . . . 41 LEU CG . 11160 1
429 . 1 1 41 41 LEU N N 15 123.597 0.300 . 1 . . . . 41 LEU N . 11160 1
430 . 1 1 42 42 LYS H H 1 8.580 0.030 . 1 . . . . 42 LYS H . 11160 1
431 . 1 1 42 42 LYS HA H 1 3.970 0.030 . 1 . . . . 42 LYS HA . 11160 1
432 . 1 1 42 42 LYS HB2 H 1 1.834 0.030 . 1 . . . . 42 LYS HB2 . 11160 1
433 . 1 1 42 42 LYS HB3 H 1 1.834 0.030 . 1 . . . . 42 LYS HB3 . 11160 1
434 . 1 1 42 42 LYS HD2 H 1 1.720 0.030 . 1 . . . . 42 LYS HD2 . 11160 1
435 . 1 1 42 42 LYS HD3 H 1 1.720 0.030 . 1 . . . . 42 LYS HD3 . 11160 1
436 . 1 1 42 42 LYS HE2 H 1 3.029 0.030 . 1 . . . . 42 LYS HE2 . 11160 1
437 . 1 1 42 42 LYS HE3 H 1 3.029 0.030 . 1 . . . . 42 LYS HE3 . 11160 1
438 . 1 1 42 42 LYS HG2 H 1 1.393 0.030 . 2 . . . . 42 LYS HG2 . 11160 1
439 . 1 1 42 42 LYS HG3 H 1 1.486 0.030 . 2 . . . . 42 LYS HG3 . 11160 1
440 . 1 1 42 42 LYS C C 13 177.098 0.300 . 1 . . . . 42 LYS C . 11160 1
441 . 1 1 42 42 LYS CA C 13 59.052 0.300 . 1 . . . . 42 LYS CA . 11160 1
442 . 1 1 42 42 LYS CB C 13 31.671 0.300 . 1 . . . . 42 LYS CB . 11160 1
443 . 1 1 42 42 LYS CD C 13 29.611 0.300 . 1 . . . . 42 LYS CD . 11160 1
444 . 1 1 42 42 LYS CE C 13 41.844 0.300 . 1 . . . . 42 LYS CE . 11160 1
445 . 1 1 42 42 LYS CG C 13 24.998 0.300 . 1 . . . . 42 LYS CG . 11160 1
446 . 1 1 42 42 LYS N N 15 115.118 0.300 . 1 . . . . 42 LYS N . 11160 1
447 . 1 1 43 43 GLU H H 1 7.553 0.030 . 1 . . . . 43 GLU H . 11160 1
448 . 1 1 43 43 GLU HA H 1 4.077 0.030 . 1 . . . . 43 GLU HA . 11160 1
449 . 1 1 43 43 GLU HB2 H 1 2.077 0.030 . 1 . . . . 43 GLU HB2 . 11160 1
450 . 1 1 43 43 GLU HB3 H 1 2.077 0.030 . 1 . . . . 43 GLU HB3 . 11160 1
451 . 1 1 43 43 GLU HG2 H 1 2.245 0.030 . 2 . . . . 43 GLU HG2 . 11160 1
452 . 1 1 43 43 GLU HG3 H 1 2.289 0.030 . 2 . . . . 43 GLU HG3 . 11160 1
453 . 1 1 43 43 GLU C C 13 177.953 0.300 . 1 . . . . 43 GLU C . 11160 1
454 . 1 1 43 43 GLU CA C 13 58.128 0.300 . 1 . . . . 43 GLU CA . 11160 1
455 . 1 1 43 43 GLU CB C 13 29.588 0.300 . 1 . . . . 43 GLU CB . 11160 1
456 . 1 1 43 43 GLU CG C 13 36.568 0.300 . 1 . . . . 43 GLU CG . 11160 1
457 . 1 1 43 43 GLU N N 15 117.550 0.300 . 1 . . . . 43 GLU N . 11160 1
458 . 1 1 44 44 GLU H H 1 7.406 0.030 . 1 . . . . 44 GLU H . 11160 1
459 . 1 1 44 44 GLU HA H 1 3.857 0.030 . 1 . . . . 44 GLU HA . 11160 1
460 . 1 1 44 44 GLU HB2 H 1 1.588 0.030 . 2 . . . . 44 GLU HB2 . 11160 1
461 . 1 1 44 44 GLU HB3 H 1 1.877 0.030 . 2 . . . . 44 GLU HB3 . 11160 1
462 . 1 1 44 44 GLU HG2 H 1 2.101 0.030 . 2 . . . . 44 GLU HG2 . 11160 1
463 . 1 1 44 44 GLU HG3 H 1 1.672 0.030 . 2 . . . . 44 GLU HG3 . 11160 1
464 . 1 1 44 44 GLU C C 13 176.440 0.300 . 1 . . . . 44 GLU C . 11160 1
465 . 1 1 44 44 GLU CA C 13 57.953 0.300 . 1 . . . . 44 GLU CA . 11160 1
466 . 1 1 44 44 GLU CB C 13 31.192 0.300 . 1 . . . . 44 GLU CB . 11160 1
467 . 1 1 44 44 GLU CG C 13 36.430 0.300 . 1 . . . . 44 GLU CG . 11160 1
468 . 1 1 44 44 GLU N N 15 118.433 0.300 . 1 . . . . 44 GLU N . 11160 1
469 . 1 1 45 45 PHE H H 1 8.175 0.030 . 1 . . . . 45 PHE H . 11160 1
470 . 1 1 45 45 PHE HA H 1 4.928 0.030 . 1 . . . . 45 PHE HA . 11160 1
471 . 1 1 45 45 PHE HB2 H 1 2.691 0.030 . 2 . . . . 45 PHE HB2 . 11160 1
472 . 1 1 45 45 PHE HB3 H 1 2.808 0.030 . 2 . . . . 45 PHE HB3 . 11160 1
473 . 1 1 45 45 PHE HD1 H 1 7.225 0.030 . 1 . . . . 45 PHE HD1 . 11160 1
474 . 1 1 45 45 PHE HD2 H 1 7.225 0.030 . 1 . . . . 45 PHE HD2 . 11160 1
475 . 1 1 45 45 PHE HE1 H 1 7.255 0.030 . 1 . . . . 45 PHE HE1 . 11160 1
476 . 1 1 45 45 PHE HE2 H 1 7.255 0.030 . 1 . . . . 45 PHE HE2 . 11160 1
477 . 1 1 45 45 PHE HZ H 1 7.153 0.030 . 1 . . . . 45 PHE HZ . 11160 1
478 . 1 1 45 45 PHE C C 13 171.794 0.300 . 1 . . . . 45 PHE C . 11160 1
479 . 1 1 45 45 PHE CA C 13 54.497 0.300 . 1 . . . . 45 PHE CA . 11160 1
480 . 1 1 45 45 PHE CB C 13 39.089 0.300 . 1 . . . . 45 PHE CB . 11160 1
481 . 1 1 45 45 PHE CD1 C 13 132.321 0.300 . 1 . . . . 45 PHE CD1 . 11160 1
482 . 1 1 45 45 PHE CD2 C 13 132.321 0.300 . 1 . . . . 45 PHE CD2 . 11160 1
483 . 1 1 45 45 PHE CE1 C 13 131.324 0.300 . 1 . . . . 45 PHE CE1 . 11160 1
484 . 1 1 45 45 PHE CE2 C 13 131.324 0.300 . 1 . . . . 45 PHE CE2 . 11160 1
485 . 1 1 45 45 PHE CZ C 13 130.145 0.300 . 1 . . . . 45 PHE CZ . 11160 1
486 . 1 1 45 45 PHE N N 15 115.209 0.300 . 1 . . . . 45 PHE N . 11160 1
487 . 1 1 46 46 PRO HA H 1 4.606 0.030 . 1 . . . . 46 PRO HA . 11160 1
488 . 1 1 46 46 PRO HB2 H 1 2.388 0.030 . 2 . . . . 46 PRO HB2 . 11160 1
489 . 1 1 46 46 PRO HB3 H 1 2.009 0.030 . 2 . . . . 46 PRO HB3 . 11160 1
490 . 1 1 46 46 PRO HD2 H 1 3.656 0.030 . 2 . . . . 46 PRO HD2 . 11160 1
491 . 1 1 46 46 PRO HD3 H 1 3.216 0.030 . 2 . . . . 46 PRO HD3 . 11160 1
492 . 1 1 46 46 PRO HG2 H 1 1.989 0.030 . 1 . . . . 46 PRO HG2 . 11160 1
493 . 1 1 46 46 PRO HG3 H 1 1.989 0.030 . 1 . . . . 46 PRO HG3 . 11160 1
494 . 1 1 46 46 PRO C C 13 177.796 0.300 . 1 . . . . 46 PRO C . 11160 1
495 . 1 1 46 46 PRO CA C 13 64.870 0.300 . 1 . . . . 46 PRO CA . 11160 1
496 . 1 1 46 46 PRO CB C 13 32.322 0.300 . 1 . . . . 46 PRO CB . 11160 1
497 . 1 1 46 46 PRO CD C 13 50.178 0.300 . 1 . . . . 46 PRO CD . 11160 1
498 . 1 1 46 46 PRO CG C 13 27.161 0.300 . 1 . . . . 46 PRO CG . 11160 1
499 . 1 1 47 47 ASP H H 1 8.279 0.030 . 1 . . . . 47 ASP H . 11160 1
500 . 1 1 47 47 ASP HA H 1 4.910 0.030 . 1 . . . . 47 ASP HA . 11160 1
501 . 1 1 47 47 ASP HB2 H 1 2.844 0.030 . 2 . . . . 47 ASP HB2 . 11160 1
502 . 1 1 47 47 ASP HB3 H 1 2.722 0.030 . 2 . . . . 47 ASP HB3 . 11160 1
503 . 1 1 47 47 ASP C C 13 176.323 0.300 . 1 . . . . 47 ASP C . 11160 1
504 . 1 1 47 47 ASP CA C 13 52.802 0.300 . 1 . . . . 47 ASP CA . 11160 1
505 . 1 1 47 47 ASP CB C 13 41.955 0.300 . 1 . . . . 47 ASP CB . 11160 1
506 . 1 1 47 47 ASP N N 15 118.122 0.300 . 1 . . . . 47 ASP N . 11160 1
507 . 1 1 48 48 TRP H H 1 9.530 0.030 . 1 . . . . 48 TRP H . 11160 1
508 . 1 1 48 48 TRP HA H 1 4.492 0.030 . 1 . . . . 48 TRP HA . 11160 1
509 . 1 1 48 48 TRP HB2 H 1 3.593 0.030 . 2 . . . . 48 TRP HB2 . 11160 1
510 . 1 1 48 48 TRP HB3 H 1 3.202 0.030 . 2 . . . . 48 TRP HB3 . 11160 1
511 . 1 1 48 48 TRP HD1 H 1 7.112 0.030 . 1 . . . . 48 TRP HD1 . 11160 1
512 . 1 1 48 48 TRP HE1 H 1 9.928 0.030 . 1 . . . . 48 TRP HE1 . 11160 1
513 . 1 1 48 48 TRP HE3 H 1 7.616 0.030 . 1 . . . . 48 TRP HE3 . 11160 1
514 . 1 1 48 48 TRP HH2 H 1 6.915 0.030 . 1 . . . . 48 TRP HH2 . 11160 1
515 . 1 1 48 48 TRP HZ2 H 1 7.513 0.030 . 1 . . . . 48 TRP HZ2 . 11160 1
516 . 1 1 48 48 TRP HZ3 H 1 7.117 0.030 . 1 . . . . 48 TRP HZ3 . 11160 1
517 . 1 1 48 48 TRP C C 13 175.391 0.300 . 1 . . . . 48 TRP C . 11160 1
518 . 1 1 48 48 TRP CA C 13 60.344 0.300 . 1 . . . . 48 TRP CA . 11160 1
519 . 1 1 48 48 TRP CB C 13 29.977 0.300 . 1 . . . . 48 TRP CB . 11160 1
520 . 1 1 48 48 TRP CD1 C 13 127.061 0.300 . 1 . . . . 48 TRP CD1 . 11160 1
521 . 1 1 48 48 TRP CE3 C 13 121.442 0.300 . 1 . . . . 48 TRP CE3 . 11160 1
522 . 1 1 48 48 TRP CH2 C 13 122.714 0.300 . 1 . . . . 48 TRP CH2 . 11160 1
523 . 1 1 48 48 TRP CZ2 C 13 114.420 0.300 . 1 . . . . 48 TRP CZ2 . 11160 1
524 . 1 1 48 48 TRP CZ3 C 13 121.442 0.300 . 1 . . . . 48 TRP CZ3 . 11160 1
525 . 1 1 48 48 TRP N N 15 129.532 0.300 . 1 . . . . 48 TRP N . 11160 1
526 . 1 1 48 48 TRP NE1 N 15 127.506 0.300 . 1 . . . . 48 TRP NE1 . 11160 1
527 . 1 1 49 49 THR H H 1 8.249 0.030 . 1 . . . . 49 THR H . 11160 1
528 . 1 1 49 49 THR HA H 1 3.502 0.030 . 1 . . . . 49 THR HA . 11160 1
529 . 1 1 49 49 THR HB H 1 4.165 0.030 . 1 . . . . 49 THR HB . 11160 1
530 . 1 1 49 49 THR HG21 H 1 1.244 0.030 . 1 . . . . 49 THR HG2 . 11160 1
531 . 1 1 49 49 THR HG22 H 1 1.244 0.030 . 1 . . . . 49 THR HG2 . 11160 1
532 . 1 1 49 49 THR HG23 H 1 1.244 0.030 . 1 . . . . 49 THR HG2 . 11160 1
533 . 1 1 49 49 THR C C 13 176.355 0.300 . 1 . . . . 49 THR C . 11160 1
534 . 1 1 49 49 THR CA C 13 66.271 0.300 . 1 . . . . 49 THR CA . 11160 1
535 . 1 1 49 49 THR CB C 13 68.574 0.300 . 1 . . . . 49 THR CB . 11160 1
536 . 1 1 49 49 THR CG2 C 13 22.024 0.300 . 1 . . . . 49 THR CG2 . 11160 1
537 . 1 1 49 49 THR N N 15 109.356 0.300 . 1 . . . . 49 THR N . 11160 1
538 . 1 1 50 50 THR H H 1 7.337 0.030 . 1 . . . . 50 THR H . 11160 1
539 . 1 1 50 50 THR HA H 1 4.051 0.030 . 1 . . . . 50 THR HA . 11160 1
540 . 1 1 50 50 THR HB H 1 4.342 0.030 . 1 . . . . 50 THR HB . 11160 1
541 . 1 1 50 50 THR HG21 H 1 1.328 0.030 . 1 . . . . 50 THR HG2 . 11160 1
542 . 1 1 50 50 THR HG22 H 1 1.328 0.030 . 1 . . . . 50 THR HG2 . 11160 1
543 . 1 1 50 50 THR HG23 H 1 1.328 0.030 . 1 . . . . 50 THR HG2 . 11160 1
544 . 1 1 50 50 THR C C 13 176.437 0.300 . 1 . . . . 50 THR C . 11160 1
545 . 1 1 50 50 THR CA C 13 64.729 0.300 . 1 . . . . 50 THR CA . 11160 1
546 . 1 1 50 50 THR CB C 13 68.650 0.300 . 1 . . . . 50 THR CB . 11160 1
547 . 1 1 50 50 THR CG2 C 13 22.908 0.300 . 1 . . . . 50 THR CG2 . 11160 1
548 . 1 1 50 50 THR N N 15 113.659 0.300 . 1 . . . . 50 THR N . 11160 1
549 . 1 1 51 51 ARG H H 1 8.821 0.030 . 1 . . . . 51 ARG H . 11160 1
550 . 1 1 51 51 ARG HA H 1 3.431 0.030 . 1 . . . . 51 ARG HA . 11160 1
551 . 1 1 51 51 ARG HB2 H 1 1.975 0.030 . 2 . . . . 51 ARG HB2 . 11160 1
552 . 1 1 51 51 ARG HB3 H 1 2.346 0.030 . 2 . . . . 51 ARG HB3 . 11160 1
553 . 1 1 51 51 ARG HD2 H 1 3.237 0.030 . 2 . . . . 51 ARG HD2 . 11160 1
554 . 1 1 51 51 ARG HD3 H 1 3.702 0.030 . 2 . . . . 51 ARG HD3 . 11160 1
555 . 1 1 51 51 ARG HG2 H 1 1.608 0.030 . 2 . . . . 51 ARG HG2 . 11160 1
556 . 1 1 51 51 ARG HG3 H 1 1.354 0.030 . 2 . . . . 51 ARG HG3 . 11160 1
557 . 1 1 51 51 ARG C C 13 177.865 0.300 . 1 . . . . 51 ARG C . 11160 1
558 . 1 1 51 51 ARG CA C 13 61.682 0.300 . 1 . . . . 51 ARG CA . 11160 1
559 . 1 1 51 51 ARG CB C 13 31.012 0.300 . 1 . . . . 51 ARG CB . 11160 1
560 . 1 1 51 51 ARG CD C 13 42.835 0.300 . 1 . . . . 51 ARG CD . 11160 1
561 . 1 1 51 51 ARG CG C 13 31.211 0.300 . 1 . . . . 51 ARG CG . 11160 1
562 . 1 1 51 51 ARG N N 15 126.979 0.300 . 1 . . . . 51 ARG N . 11160 1
563 . 1 1 52 52 VAL H H 1 8.487 0.030 . 1 . . . . 52 VAL H . 11160 1
564 . 1 1 52 52 VAL HA H 1 3.373 0.030 . 1 . . . . 52 VAL HA . 11160 1
565 . 1 1 52 52 VAL HB H 1 0.418 0.030 . 1 . . . . 52 VAL HB . 11160 1
566 . 1 1 52 52 VAL HG11 H 1 0.428 0.030 . 1 . . . . 52 VAL HG1 . 11160 1
567 . 1 1 52 52 VAL HG12 H 1 0.428 0.030 . 1 . . . . 52 VAL HG1 . 11160 1
568 . 1 1 52 52 VAL HG13 H 1 0.428 0.030 . 1 . . . . 52 VAL HG1 . 11160 1
569 . 1 1 52 52 VAL HG21 H 1 0.672 0.030 . 1 . . . . 52 VAL HG2 . 11160 1
570 . 1 1 52 52 VAL HG22 H 1 0.672 0.030 . 1 . . . . 52 VAL HG2 . 11160 1
571 . 1 1 52 52 VAL HG23 H 1 0.672 0.030 . 1 . . . . 52 VAL HG2 . 11160 1
572 . 1 1 52 52 VAL C C 13 177.053 0.300 . 1 . . . . 52 VAL C . 11160 1
573 . 1 1 52 52 VAL CA C 13 65.169 0.300 . 1 . . . . 52 VAL CA . 11160 1
574 . 1 1 52 52 VAL CB C 13 29.686 0.300 . 1 . . . . 52 VAL CB . 11160 1
575 . 1 1 52 52 VAL CG1 C 13 19.695 0.300 . 2 . . . . 52 VAL CG1 . 11160 1
576 . 1 1 52 52 VAL CG2 C 13 23.590 0.300 . 2 . . . . 52 VAL CG2 . 11160 1
577 . 1 1 52 52 VAL N N 15 118.304 0.300 . 1 . . . . 52 VAL N . 11160 1
578 . 1 1 53 53 LYS H H 1 6.399 0.030 . 1 . . . . 53 LYS H . 11160 1
579 . 1 1 53 53 LYS HA H 1 3.967 0.030 . 1 . . . . 53 LYS HA . 11160 1
580 . 1 1 53 53 LYS HB2 H 1 1.874 0.030 . 2 . . . . 53 LYS HB2 . 11160 1
581 . 1 1 53 53 LYS HB3 H 1 1.752 0.030 . 2 . . . . 53 LYS HB3 . 11160 1
582 . 1 1 53 53 LYS HD2 H 1 1.670 0.030 . 2 . . . . 53 LYS HD2 . 11160 1
583 . 1 1 53 53 LYS HD3 H 1 1.620 0.030 . 2 . . . . 53 LYS HD3 . 11160 1
584 . 1 1 53 53 LYS HE2 H 1 2.930 0.030 . 1 . . . . 53 LYS HE2 . 11160 1
585 . 1 1 53 53 LYS HE3 H 1 2.930 0.030 . 1 . . . . 53 LYS HE3 . 11160 1
586 . 1 1 53 53 LYS HG2 H 1 1.554 0.030 . 2 . . . . 53 LYS HG2 . 11160 1
587 . 1 1 53 53 LYS HG3 H 1 1.307 0.030 . 2 . . . . 53 LYS HG3 . 11160 1
588 . 1 1 53 53 LYS C C 13 179.461 0.300 . 1 . . . . 53 LYS C . 11160 1
589 . 1 1 53 53 LYS CA C 13 58.871 0.300 . 1 . . . . 53 LYS CA . 11160 1
590 . 1 1 53 53 LYS CB C 13 32.051 0.300 . 1 . . . . 53 LYS CB . 11160 1
591 . 1 1 53 53 LYS CD C 13 29.487 0.300 . 1 . . . . 53 LYS CD . 11160 1
592 . 1 1 53 53 LYS CE C 13 42.043 0.300 . 1 . . . . 53 LYS CE . 11160 1
593 . 1 1 53 53 LYS CG C 13 25.471 0.300 . 1 . . . . 53 LYS CG . 11160 1
594 . 1 1 53 53 LYS N N 15 120.245 0.300 . 1 . . . . 53 LYS N . 11160 1
595 . 1 1 54 54 GLN H H 1 7.297 0.030 . 1 . . . . 54 GLN H . 11160 1
596 . 1 1 54 54 GLN HA H 1 3.906 0.030 . 1 . . . . 54 GLN HA . 11160 1
597 . 1 1 54 54 GLN HB2 H 1 1.593 0.030 . 2 . . . . 54 GLN HB2 . 11160 1
598 . 1 1 54 54 GLN HB3 H 1 1.403 0.030 . 2 . . . . 54 GLN HB3 . 11160 1
599 . 1 1 54 54 GLN HE21 H 1 6.671 0.030 . 2 . . . . 54 GLN HE21 . 11160 1
600 . 1 1 54 54 GLN HE22 H 1 6.789 0.030 . 2 . . . . 54 GLN HE22 . 11160 1
601 . 1 1 54 54 GLN HG2 H 1 1.008 0.030 . 2 . . . . 54 GLN HG2 . 11160 1
602 . 1 1 54 54 GLN HG3 H 1 1.586 0.030 . 2 . . . . 54 GLN HG3 . 11160 1
603 . 1 1 54 54 GLN C C 13 177.635 0.300 . 1 . . . . 54 GLN C . 11160 1
604 . 1 1 54 54 GLN CA C 13 57.565 0.300 . 1 . . . . 54 GLN CA . 11160 1
605 . 1 1 54 54 GLN CB C 13 26.492 0.300 . 1 . . . . 54 GLN CB . 11160 1
606 . 1 1 54 54 GLN CG C 13 30.906 0.300 . 1 . . . . 54 GLN CG . 11160 1
607 . 1 1 54 54 GLN N N 15 120.716 0.300 . 1 . . . . 54 GLN N . 11160 1
608 . 1 1 54 54 GLN NE2 N 15 110.178 0.300 . 1 . . . . 54 GLN NE2 . 11160 1
609 . 1 1 55 55 ILE H H 1 8.432 0.030 . 1 . . . . 55 ILE H . 11160 1
610 . 1 1 55 55 ILE HA H 1 3.508 0.030 . 1 . . . . 55 ILE HA . 11160 1
611 . 1 1 55 55 ILE HB H 1 1.939 0.030 . 1 . . . . 55 ILE HB . 11160 1
612 . 1 1 55 55 ILE HD11 H 1 0.991 0.030 . 1 . . . . 55 ILE HD1 . 11160 1
613 . 1 1 55 55 ILE HD12 H 1 0.991 0.030 . 1 . . . . 55 ILE HD1 . 11160 1
614 . 1 1 55 55 ILE HD13 H 1 0.991 0.030 . 1 . . . . 55 ILE HD1 . 11160 1
615 . 1 1 55 55 ILE HG12 H 1 1.256 0.030 . 2 . . . . 55 ILE HG12 . 11160 1
616 . 1 1 55 55 ILE HG13 H 1 1.710 0.030 . 2 . . . . 55 ILE HG13 . 11160 1
617 . 1 1 55 55 ILE HG21 H 1 0.689 0.030 . 1 . . . . 55 ILE HG2 . 11160 1
618 . 1 1 55 55 ILE HG22 H 1 0.689 0.030 . 1 . . . . 55 ILE HG2 . 11160 1
619 . 1 1 55 55 ILE HG23 H 1 0.689 0.030 . 1 . . . . 55 ILE HG2 . 11160 1
620 . 1 1 55 55 ILE C C 13 177.753 0.300 . 1 . . . . 55 ILE C . 11160 1
621 . 1 1 55 55 ILE CA C 13 66.391 0.300 . 1 . . . . 55 ILE CA . 11160 1
622 . 1 1 55 55 ILE CB C 13 38.478 0.300 . 1 . . . . 55 ILE CB . 11160 1
623 . 1 1 55 55 ILE CD1 C 13 14.160 0.300 . 1 . . . . 55 ILE CD1 . 11160 1
624 . 1 1 55 55 ILE CG1 C 13 28.341 0.300 . 1 . . . . 55 ILE CG1 . 11160 1
625 . 1 1 55 55 ILE CG2 C 13 16.644 0.300 . 1 . . . . 55 ILE CG2 . 11160 1
626 . 1 1 55 55 ILE N N 15 120.770 0.300 . 1 . . . . 55 ILE N . 11160 1
627 . 1 1 56 56 ALA H H 1 7.558 0.030 . 1 . . . . 56 ALA H . 11160 1
628 . 1 1 56 56 ALA HA H 1 4.159 0.030 . 1 . . . . 56 ALA HA . 11160 1
629 . 1 1 56 56 ALA HB1 H 1 1.550 0.030 . 1 . . . . 56 ALA HB . 11160 1
630 . 1 1 56 56 ALA HB2 H 1 1.550 0.030 . 1 . . . . 56 ALA HB . 11160 1
631 . 1 1 56 56 ALA HB3 H 1 1.550 0.030 . 1 . . . . 56 ALA HB . 11160 1
632 . 1 1 56 56 ALA C C 13 180.087 0.300 . 1 . . . . 56 ALA C . 11160 1
633 . 1 1 56 56 ALA CA C 13 55.501 0.300 . 1 . . . . 56 ALA CA . 11160 1
634 . 1 1 56 56 ALA CB C 13 18.244 0.300 . 1 . . . . 56 ALA CB . 11160 1
635 . 1 1 56 56 ALA N N 15 118.811 0.300 . 1 . . . . 56 ALA N . 11160 1
636 . 1 1 57 57 LYS H H 1 7.797 0.030 . 1 . . . . 57 LYS H . 11160 1
637 . 1 1 57 57 LYS HA H 1 3.915 0.030 . 1 . . . . 57 LYS HA . 11160 1
638 . 1 1 57 57 LYS HB2 H 1 1.837 0.030 . 1 . . . . 57 LYS HB2 . 11160 1
639 . 1 1 57 57 LYS HB3 H 1 1.837 0.030 . 1 . . . . 57 LYS HB3 . 11160 1
640 . 1 1 57 57 LYS HD2 H 1 1.593 0.030 . 1 . . . . 57 LYS HD2 . 11160 1
641 . 1 1 57 57 LYS HD3 H 1 1.593 0.030 . 1 . . . . 57 LYS HD3 . 11160 1
642 . 1 1 57 57 LYS HE2 H 1 2.873 0.030 . 1 . . . . 57 LYS HE2 . 11160 1
643 . 1 1 57 57 LYS HE3 H 1 2.873 0.030 . 1 . . . . 57 LYS HE3 . 11160 1
644 . 1 1 57 57 LYS HG2 H 1 1.510 0.030 . 2 . . . . 57 LYS HG2 . 11160 1
645 . 1 1 57 57 LYS HG3 H 1 1.202 0.030 . 2 . . . . 57 LYS HG3 . 11160 1
646 . 1 1 57 57 LYS C C 13 178.947 0.300 . 1 . . . . 57 LYS C . 11160 1
647 . 1 1 57 57 LYS CA C 13 59.783 0.300 . 1 . . . . 57 LYS CA . 11160 1
648 . 1 1 57 57 LYS CB C 13 32.742 0.300 . 1 . . . . 57 LYS CB . 11160 1
649 . 1 1 57 57 LYS CD C 13 29.588 0.300 . 1 . . . . 57 LYS CD . 11160 1
650 . 1 1 57 57 LYS CE C 13 41.885 0.300 . 1 . . . . 57 LYS CE . 11160 1
651 . 1 1 57 57 LYS CG C 13 24.998 0.300 . 1 . . . . 57 LYS CG . 11160 1
652 . 1 1 57 57 LYS N N 15 119.620 0.300 . 1 . . . . 57 LYS N . 11160 1
653 . 1 1 58 58 LEU H H 1 8.504 0.030 . 1 . . . . 58 LEU H . 11160 1
654 . 1 1 58 58 LEU HA H 1 3.910 0.030 . 1 . . . . 58 LEU HA . 11160 1
655 . 1 1 58 58 LEU HB2 H 1 1.848 0.030 . 2 . . . . 58 LEU HB2 . 11160 1
656 . 1 1 58 58 LEU HB3 H 1 1.251 0.030 . 2 . . . . 58 LEU HB3 . 11160 1
657 . 1 1 58 58 LEU HD11 H 1 0.104 0.030 . 1 . . . . 58 LEU HD1 . 11160 1
658 . 1 1 58 58 LEU HD12 H 1 0.104 0.030 . 1 . . . . 58 LEU HD1 . 11160 1
659 . 1 1 58 58 LEU HD13 H 1 0.104 0.030 . 1 . . . . 58 LEU HD1 . 11160 1
660 . 1 1 58 58 LEU HD21 H 1 0.529 0.030 . 1 . . . . 58 LEU HD2 . 11160 1
661 . 1 1 58 58 LEU HD22 H 1 0.529 0.030 . 1 . . . . 58 LEU HD2 . 11160 1
662 . 1 1 58 58 LEU HD23 H 1 0.529 0.030 . 1 . . . . 58 LEU HD2 . 11160 1
663 . 1 1 58 58 LEU HG H 1 1.621 0.030 . 1 . . . . 58 LEU HG . 11160 1
664 . 1 1 58 58 LEU C C 13 179.722 0.300 . 1 . . . . 58 LEU C . 11160 1
665 . 1 1 58 58 LEU CA C 13 57.878 0.300 . 1 . . . . 58 LEU CA . 11160 1
666 . 1 1 58 58 LEU CB C 13 41.226 0.300 . 1 . . . . 58 LEU CB . 11160 1
667 . 1 1 58 58 LEU CD1 C 13 24.925 0.300 . 2 . . . . 58 LEU CD1 . 11160 1
668 . 1 1 58 58 LEU CD2 C 13 21.703 0.300 . 2 . . . . 58 LEU CD2 . 11160 1
669 . 1 1 58 58 LEU CG C 13 26.737 0.300 . 1 . . . . 58 LEU CG . 11160 1
670 . 1 1 58 58 LEU N N 15 120.494 0.300 . 1 . . . . 58 LEU N . 11160 1
671 . 1 1 59 59 TRP H H 1 8.243 0.030 . 1 . . . . 59 TRP H . 11160 1
672 . 1 1 59 59 TRP HA H 1 4.233 0.030 . 1 . . . . 59 TRP HA . 11160 1
673 . 1 1 59 59 TRP HB2 H 1 3.339 0.030 . 2 . . . . 59 TRP HB2 . 11160 1
674 . 1 1 59 59 TRP HB3 H 1 3.266 0.030 . 2 . . . . 59 TRP HB3 . 11160 1
675 . 1 1 59 59 TRP HD1 H 1 7.196 0.030 . 1 . . . . 59 TRP HD1 . 11160 1
676 . 1 1 59 59 TRP HE1 H 1 10.094 0.030 . 1 . . . . 59 TRP HE1 . 11160 1
677 . 1 1 59 59 TRP HE3 H 1 6.814 0.030 . 1 . . . . 59 TRP HE3 . 11160 1
678 . 1 1 59 59 TRP HH2 H 1 7.176 0.030 . 1 . . . . 59 TRP HH2 . 11160 1
679 . 1 1 59 59 TRP HZ2 H 1 7.307 0.030 . 1 . . . . 59 TRP HZ2 . 11160 1
680 . 1 1 59 59 TRP HZ3 H 1 6.430 0.030 . 1 . . . . 59 TRP HZ3 . 11160 1
681 . 1 1 59 59 TRP C C 13 177.725 0.300 . 1 . . . . 59 TRP C . 11160 1
682 . 1 1 59 59 TRP CA C 13 58.911 0.300 . 1 . . . . 59 TRP CA . 11160 1
683 . 1 1 59 59 TRP CB C 13 30.392 0.300 . 1 . . . . 59 TRP CB . 11160 1
684 . 1 1 59 59 TRP CD1 C 13 127.551 0.300 . 1 . . . . 59 TRP CD1 . 11160 1
685 . 1 1 59 59 TRP CE3 C 13 120.704 0.300 . 1 . . . . 59 TRP CE3 . 11160 1
686 . 1 1 59 59 TRP CH2 C 13 124.451 0.300 . 1 . . . . 59 TRP CH2 . 11160 1
687 . 1 1 59 59 TRP CZ2 C 13 113.739 0.300 . 1 . . . . 59 TRP CZ2 . 11160 1
688 . 1 1 59 59 TRP CZ3 C 13 120.750 0.300 . 1 . . . . 59 TRP CZ3 . 11160 1
689 . 1 1 59 59 TRP N N 15 120.335 0.300 . 1 . . . . 59 TRP N . 11160 1
690 . 1 1 59 59 TRP NE1 N 15 128.750 0.300 . 1 . . . . 59 TRP NE1 . 11160 1
691 . 1 1 60 60 ARG H H 1 7.988 0.030 . 1 . . . . 60 ARG H . 11160 1
692 . 1 1 60 60 ARG HA H 1 3.756 0.030 . 1 . . . . 60 ARG HA . 11160 1
693 . 1 1 60 60 ARG HB2 H 1 1.956 0.030 . 2 . . . . 60 ARG HB2 . 11160 1
694 . 1 1 60 60 ARG HB3 H 1 1.922 0.030 . 2 . . . . 60 ARG HB3 . 11160 1
695 . 1 1 60 60 ARG HD2 H 1 3.212 0.030 . 1 . . . . 60 ARG HD2 . 11160 1
696 . 1 1 60 60 ARG HD3 H 1 3.212 0.030 . 1 . . . . 60 ARG HD3 . 11160 1
697 . 1 1 60 60 ARG HG2 H 1 1.798 0.030 . 2 . . . . 60 ARG HG2 . 11160 1
698 . 1 1 60 60 ARG HG3 H 1 1.660 0.030 . 2 . . . . 60 ARG HG3 . 11160 1
699 . 1 1 60 60 ARG C C 13 177.472 0.300 . 1 . . . . 60 ARG C . 11160 1
700 . 1 1 60 60 ARG CA C 13 58.590 0.300 . 1 . . . . 60 ARG CA . 11160 1
701 . 1 1 60 60 ARG CB C 13 30.157 0.300 . 1 . . . . 60 ARG CB . 11160 1
702 . 1 1 60 60 ARG CD C 13 43.642 0.300 . 1 . . . . 60 ARG CD . 11160 1
703 . 1 1 60 60 ARG CG C 13 27.853 0.300 . 1 . . . . 60 ARG CG . 11160 1
704 . 1 1 60 60 ARG N N 15 116.650 0.300 . 1 . . . . 60 ARG N . 11160 1
705 . 1 1 61 61 LYS H H 1 7.380 0.030 . 1 . . . . 61 LYS H . 11160 1
706 . 1 1 61 61 LYS HA H 1 4.045 0.030 . 1 . . . . 61 LYS HA . 11160 1
707 . 1 1 61 61 LYS HB2 H 1 1.883 0.030 . 1 . . . . 61 LYS HB2 . 11160 1
708 . 1 1 61 61 LYS HB3 H 1 1.883 0.030 . 1 . . . . 61 LYS HB3 . 11160 1
709 . 1 1 61 61 LYS HD2 H 1 1.662 0.030 . 1 . . . . 61 LYS HD2 . 11160 1
710 . 1 1 61 61 LYS HD3 H 1 1.662 0.030 . 1 . . . . 61 LYS HD3 . 11160 1
711 . 1 1 61 61 LYS HE2 H 1 2.989 0.030 . 1 . . . . 61 LYS HE2 . 11160 1
712 . 1 1 61 61 LYS HE3 H 1 2.989 0.030 . 1 . . . . 61 LYS HE3 . 11160 1
713 . 1 1 61 61 LYS HG2 H 1 1.542 0.030 . 2 . . . . 61 LYS HG2 . 11160 1
714 . 1 1 61 61 LYS HG3 H 1 1.575 0.030 . 2 . . . . 61 LYS HG3 . 11160 1
715 . 1 1 61 61 LYS C C 13 176.557 0.300 . 1 . . . . 61 LYS C . 11160 1
716 . 1 1 61 61 LYS CA C 13 56.923 0.300 . 1 . . . . 61 LYS CA . 11160 1
717 . 1 1 61 61 LYS CB C 13 33.044 0.300 . 1 . . . . 61 LYS CB . 11160 1
718 . 1 1 61 61 LYS CD C 13 29.199 0.300 . 1 . . . . 61 LYS CD . 11160 1
719 . 1 1 61 61 LYS CE C 13 41.939 0.300 . 1 . . . . 61 LYS CE . 11160 1
720 . 1 1 61 61 LYS CG C 13 24.751 0.300 . 1 . . . . 61 LYS CG . 11160 1
721 . 1 1 61 61 LYS N N 15 115.961 0.300 . 1 . . . . 61 LYS N . 11160 1
722 . 1 1 62 62 ALA H H 1 6.967 0.030 . 1 . . . . 62 ALA H . 11160 1
723 . 1 1 62 62 ALA HA H 1 4.255 0.030 . 1 . . . . 62 ALA HA . 11160 1
724 . 1 1 62 62 ALA HB1 H 1 0.872 0.030 . 1 . . . . 62 ALA HB . 11160 1
725 . 1 1 62 62 ALA HB2 H 1 0.872 0.030 . 1 . . . . 62 ALA HB . 11160 1
726 . 1 1 62 62 ALA HB3 H 1 0.872 0.030 . 1 . . . . 62 ALA HB . 11160 1
727 . 1 1 62 62 ALA C C 13 176.925 0.300 . 1 . . . . 62 ALA C . 11160 1
728 . 1 1 62 62 ALA CA C 13 51.820 0.300 . 1 . . . . 62 ALA CA . 11160 1
729 . 1 1 62 62 ALA CB C 13 17.899 0.300 . 1 . . . . 62 ALA CB . 11160 1
730 . 1 1 62 62 ALA N N 15 123.955 0.300 . 1 . . . . 62 ALA N . 11160 1
731 . 1 1 63 63 SER H H 1 8.663 0.030 . 1 . . . . 63 SER H . 11160 1
732 . 1 1 63 63 SER HA H 1 4.343 0.030 . 1 . . . . 63 SER HA . 11160 1
733 . 1 1 63 63 SER HB2 H 1 4.086 0.030 . 2 . . . . 63 SER HB2 . 11160 1
734 . 1 1 63 63 SER HB3 H 1 4.369 0.030 . 2 . . . . 63 SER HB3 . 11160 1
735 . 1 1 63 63 SER C C 13 175.144 0.300 . 1 . . . . 63 SER C . 11160 1
736 . 1 1 63 63 SER CA C 13 57.417 0.300 . 1 . . . . 63 SER CA . 11160 1
737 . 1 1 63 63 SER CB C 13 65.271 0.300 . 1 . . . . 63 SER CB . 11160 1
738 . 1 1 63 63 SER N N 15 119.272 0.300 . 1 . . . . 63 SER N . 11160 1
739 . 1 1 64 64 SER H H 1 9.069 0.030 . 1 . . . . 64 SER H . 11160 1
740 . 1 1 64 64 SER HA H 1 3.902 0.030 . 1 . . . . 64 SER HA . 11160 1
741 . 1 1 64 64 SER HB2 H 1 3.899 0.030 . 2 . . . . 64 SER HB2 . 11160 1
742 . 1 1 64 64 SER HB3 H 1 3.816 0.030 . 2 . . . . 64 SER HB3 . 11160 1
743 . 1 1 64 64 SER C C 13 177.292 0.300 . 1 . . . . 64 SER C . 11160 1
744 . 1 1 64 64 SER CA C 13 62.314 0.300 . 1 . . . . 64 SER CA . 11160 1
745 . 1 1 64 64 SER CB C 13 62.441 0.300 . 1 . . . . 64 SER CB . 11160 1
746 . 1 1 64 64 SER N N 15 116.689 0.300 . 1 . . . . 64 SER N . 11160 1
747 . 1 1 65 65 GLN H H 1 8.425 0.030 . 1 . . . . 65 GLN H . 11160 1
748 . 1 1 65 65 GLN HA H 1 4.124 0.030 . 1 . . . . 65 GLN HA . 11160 1
749 . 1 1 65 65 GLN HB2 H 1 2.096 0.030 . 2 . . . . 65 GLN HB2 . 11160 1
750 . 1 1 65 65 GLN HB3 H 1 2.015 0.030 . 2 . . . . 65 GLN HB3 . 11160 1
751 . 1 1 65 65 GLN HE21 H 1 7.555 0.030 . 2 . . . . 65 GLN HE21 . 11160 1
752 . 1 1 65 65 GLN HE22 H 1 6.876 0.030 . 2 . . . . 65 GLN HE22 . 11160 1
753 . 1 1 65 65 GLN HG2 H 1 2.465 0.030 . 1 . . . . 65 GLN HG2 . 11160 1
754 . 1 1 65 65 GLN HG3 H 1 2.465 0.030 . 1 . . . . 65 GLN HG3 . 11160 1
755 . 1 1 65 65 GLN C C 13 178.284 0.300 . 1 . . . . 65 GLN C . 11160 1
756 . 1 1 65 65 GLN CA C 13 59.081 0.300 . 1 . . . . 65 GLN CA . 11160 1
757 . 1 1 65 65 GLN CB C 13 28.204 0.300 . 1 . . . . 65 GLN CB . 11160 1
758 . 1 1 65 65 GLN CG C 13 34.123 0.300 . 1 . . . . 65 GLN CG . 11160 1
759 . 1 1 65 65 GLN N N 15 120.230 0.300 . 1 . . . . 65 GLN N . 11160 1
760 . 1 1 65 65 GLN NE2 N 15 112.000 0.300 . 1 . . . . 65 GLN NE2 . 11160 1
761 . 1 1 66 66 GLU H H 1 7.707 0.030 . 1 . . . . 66 GLU H . 11160 1
762 . 1 1 66 66 GLU HA H 1 4.183 0.030 . 1 . . . . 66 GLU HA . 11160 1
763 . 1 1 66 66 GLU HB2 H 1 2.054 0.030 . 2 . . . . 66 GLU HB2 . 11160 1
764 . 1 1 66 66 GLU HB3 H 1 2.246 0.030 . 2 . . . . 66 GLU HB3 . 11160 1
765 . 1 1 66 66 GLU HG2 H 1 2.386 0.030 . 2 . . . . 66 GLU HG2 . 11160 1
766 . 1 1 66 66 GLU HG3 H 1 2.492 0.030 . 2 . . . . 66 GLU HG3 . 11160 1
767 . 1 1 66 66 GLU C C 13 178.758 0.300 . 1 . . . . 66 GLU C . 11160 1
768 . 1 1 66 66 GLU CA C 13 58.359 0.300 . 1 . . . . 66 GLU CA . 11160 1
769 . 1 1 66 66 GLU CB C 13 29.988 0.300 . 1 . . . . 66 GLU CB . 11160 1
770 . 1 1 66 66 GLU CG C 13 37.025 0.300 . 1 . . . . 66 GLU CG . 11160 1
771 . 1 1 66 66 GLU N N 15 121.110 0.300 . 1 . . . . 66 GLU N . 11160 1
772 . 1 1 67 67 ARG H H 1 8.115 0.030 . 1 . . . . 67 ARG H . 11160 1
773 . 1 1 67 67 ARG HA H 1 3.792 0.030 . 1 . . . . 67 ARG HA . 11160 1
774 . 1 1 67 67 ARG HB2 H 1 1.507 0.030 . 2 . . . . 67 ARG HB2 . 11160 1
775 . 1 1 67 67 ARG HB3 H 1 1.414 0.030 . 2 . . . . 67 ARG HB3 . 11160 1
776 . 1 1 67 67 ARG HD2 H 1 1.901 0.030 . 2 . . . . 67 ARG HD2 . 11160 1
777 . 1 1 67 67 ARG HD3 H 1 2.015 0.030 . 2 . . . . 67 ARG HD3 . 11160 1
778 . 1 1 67 67 ARG HG2 H 1 1.006 0.030 . 2 . . . . 67 ARG HG2 . 11160 1
779 . 1 1 67 67 ARG HG3 H 1 -0.742 0.030 . 2 . . . . 67 ARG HG3 . 11160 1
780 . 1 1 67 67 ARG C C 13 179.295 0.300 . 1 . . . . 67 ARG C . 11160 1
781 . 1 1 67 67 ARG CA C 13 59.106 0.300 . 1 . . . . 67 ARG CA . 11160 1
782 . 1 1 67 67 ARG CB C 13 32.380 0.300 . 1 . . . . 67 ARG CB . 11160 1
783 . 1 1 67 67 ARG CD C 13 43.368 0.300 . 1 . . . . 67 ARG CD . 11160 1
784 . 1 1 67 67 ARG CG C 13 26.870 0.300 . 1 . . . . 67 ARG CG . 11160 1
785 . 1 1 67 67 ARG N N 15 114.125 0.300 . 1 . . . . 67 ARG N . 11160 1
786 . 1 1 68 68 ALA H H 1 7.382 0.030 . 1 . . . . 68 ALA H . 11160 1
787 . 1 1 68 68 ALA HA H 1 4.285 0.030 . 1 . . . . 68 ALA HA . 11160 1
788 . 1 1 68 68 ALA HB1 H 1 1.586 0.030 . 1 . . . . 68 ALA HB . 11160 1
789 . 1 1 68 68 ALA HB2 H 1 1.586 0.030 . 1 . . . . 68 ALA HB . 11160 1
790 . 1 1 68 68 ALA HB3 H 1 1.586 0.030 . 1 . . . . 68 ALA HB . 11160 1
791 . 1 1 68 68 ALA C C 13 176.624 0.300 . 1 . . . . 68 ALA C . 11160 1
792 . 1 1 68 68 ALA CA C 13 57.545 0.300 . 1 . . . . 68 ALA CA . 11160 1
793 . 1 1 68 68 ALA CB C 13 15.937 0.300 . 1 . . . . 68 ALA CB . 11160 1
794 . 1 1 68 68 ALA N N 15 120.274 0.300 . 1 . . . . 68 ALA N . 11160 1
795 . 1 1 69 69 PRO HA H 1 4.403 0.030 . 1 . . . . 69 PRO HA . 11160 1
796 . 1 1 69 69 PRO HB2 H 1 2.226 0.030 . 2 . . . . 69 PRO HB2 . 11160 1
797 . 1 1 69 69 PRO HB3 H 1 1.316 0.030 . 2 . . . . 69 PRO HB3 . 11160 1
798 . 1 1 69 69 PRO HD2 H 1 3.754 0.030 . 2 . . . . 69 PRO HD2 . 11160 1
799 . 1 1 69 69 PRO HD3 H 1 3.954 0.030 . 2 . . . . 69 PRO HD3 . 11160 1
800 . 1 1 69 69 PRO HG2 H 1 2.013 0.030 . 1 . . . . 69 PRO HG2 . 11160 1
801 . 1 1 69 69 PRO HG3 H 1 2.013 0.030 . 1 . . . . 69 PRO HG3 . 11160 1
802 . 1 1 69 69 PRO C C 13 179.392 0.300 . 1 . . . . 69 PRO C . 11160 1
803 . 1 1 69 69 PRO CA C 13 65.698 0.300 . 1 . . . . 69 PRO CA . 11160 1
804 . 1 1 69 69 PRO CB C 13 31.167 0.300 . 1 . . . . 69 PRO CB . 11160 1
805 . 1 1 69 69 PRO CD C 13 50.537 0.300 . 1 . . . . 69 PRO CD . 11160 1
806 . 1 1 69 69 PRO CG C 13 28.376 0.300 . 1 . . . . 69 PRO CG . 11160 1
807 . 1 1 70 70 TYR H H 1 7.657 0.030 . 1 . . . . 70 TYR H . 11160 1
808 . 1 1 70 70 TYR HA H 1 4.115 0.030 . 1 . . . . 70 TYR HA . 11160 1
809 . 1 1 70 70 TYR HB2 H 1 3.604 0.030 . 2 . . . . 70 TYR HB2 . 11160 1
810 . 1 1 70 70 TYR HB3 H 1 3.215 0.030 . 2 . . . . 70 TYR HB3 . 11160 1
811 . 1 1 70 70 TYR HD1 H 1 7.478 0.030 . 1 . . . . 70 TYR HD1 . 11160 1
812 . 1 1 70 70 TYR HD2 H 1 7.478 0.030 . 1 . . . . 70 TYR HD2 . 11160 1
813 . 1 1 70 70 TYR HE1 H 1 7.171 0.030 . 1 . . . . 70 TYR HE1 . 11160 1
814 . 1 1 70 70 TYR HE2 H 1 7.171 0.030 . 1 . . . . 70 TYR HE2 . 11160 1
815 . 1 1 70 70 TYR C C 13 177.384 0.300 . 1 . . . . 70 TYR C . 11160 1
816 . 1 1 70 70 TYR CA C 13 61.931 0.300 . 1 . . . . 70 TYR CA . 11160 1
817 . 1 1 70 70 TYR CB C 13 38.343 0.300 . 1 . . . . 70 TYR CB . 11160 1
818 . 1 1 70 70 TYR CD1 C 13 133.370 0.300 . 1 . . . . 70 TYR CD1 . 11160 1
819 . 1 1 70 70 TYR CD2 C 13 133.370 0.300 . 1 . . . . 70 TYR CD2 . 11160 1
820 . 1 1 70 70 TYR CE1 C 13 119.500 0.300 . 1 . . . . 70 TYR CE1 . 11160 1
821 . 1 1 70 70 TYR CE2 C 13 119.500 0.300 . 1 . . . . 70 TYR CE2 . 11160 1
822 . 1 1 70 70 TYR N N 15 116.851 0.300 . 1 . . . . 70 TYR N . 11160 1
823 . 1 1 71 71 VAL H H 1 8.114 0.030 . 1 . . . . 71 VAL H . 11160 1
824 . 1 1 71 71 VAL HA H 1 3.669 0.030 . 1 . . . . 71 VAL HA . 11160 1
825 . 1 1 71 71 VAL HB H 1 2.363 0.030 . 1 . . . . 71 VAL HB . 11160 1
826 . 1 1 71 71 VAL HG11 H 1 1.319 0.030 . 1 . . . . 71 VAL HG1 . 11160 1
827 . 1 1 71 71 VAL HG12 H 1 1.319 0.030 . 1 . . . . 71 VAL HG1 . 11160 1
828 . 1 1 71 71 VAL HG13 H 1 1.319 0.030 . 1 . . . . 71 VAL HG1 . 11160 1
829 . 1 1 71 71 VAL HG21 H 1 1.051 0.030 . 1 . . . . 71 VAL HG2 . 11160 1
830 . 1 1 71 71 VAL HG22 H 1 1.051 0.030 . 1 . . . . 71 VAL HG2 . 11160 1
831 . 1 1 71 71 VAL HG23 H 1 1.051 0.030 . 1 . . . . 71 VAL HG2 . 11160 1
832 . 1 1 71 71 VAL C C 13 179.112 0.300 . 1 . . . . 71 VAL C . 11160 1
833 . 1 1 71 71 VAL CA C 13 67.080 0.300 . 1 . . . . 71 VAL CA . 11160 1
834 . 1 1 71 71 VAL CB C 13 32.101 0.300 . 1 . . . . 71 VAL CB . 11160 1
835 . 1 1 71 71 VAL CG1 C 13 22.379 0.300 . 2 . . . . 71 VAL CG1 . 11160 1
836 . 1 1 71 71 VAL CG2 C 13 20.880 0.300 . 2 . . . . 71 VAL CG2 . 11160 1
837 . 1 1 71 71 VAL N N 15 121.364 0.300 . 1 . . . . 71 VAL N . 11160 1
838 . 1 1 72 72 GLN H H 1 7.688 0.030 . 1 . . . . 72 GLN H . 11160 1
839 . 1 1 72 72 GLN HA H 1 3.935 0.030 . 1 . . . . 72 GLN HA . 11160 1
840 . 1 1 72 72 GLN HB2 H 1 2.146 0.030 . 2 . . . . 72 GLN HB2 . 11160 1
841 . 1 1 72 72 GLN HB3 H 1 2.028 0.030 . 2 . . . . 72 GLN HB3 . 11160 1
842 . 1 1 72 72 GLN HE21 H 1 6.890 0.030 . 2 . . . . 72 GLN HE21 . 11160 1
843 . 1 1 72 72 GLN HE22 H 1 7.803 0.030 . 2 . . . . 72 GLN HE22 . 11160 1
844 . 1 1 72 72 GLN HG2 H 1 2.386 0.030 . 2 . . . . 72 GLN HG2 . 11160 1
845 . 1 1 72 72 GLN HG3 H 1 2.352 0.030 . 2 . . . . 72 GLN HG3 . 11160 1
846 . 1 1 72 72 GLN C C 13 177.083 0.300 . 1 . . . . 72 GLN C . 11160 1
847 . 1 1 72 72 GLN CA C 13 58.660 0.300 . 1 . . . . 72 GLN CA . 11160 1
848 . 1 1 72 72 GLN CB C 13 28.325 0.300 . 1 . . . . 72 GLN CB . 11160 1
849 . 1 1 72 72 GLN CG C 13 33.285 0.300 . 1 . . . . 72 GLN CG . 11160 1
850 . 1 1 72 72 GLN N N 15 118.076 0.300 . 1 . . . . 72 GLN N . 11160 1
851 . 1 1 72 72 GLN NE2 N 15 115.137 0.300 . 1 . . . . 72 GLN NE2 . 11160 1
852 . 1 1 73 73 LYS H H 1 8.159 0.030 . 1 . . . . 73 LYS H . 11160 1
853 . 1 1 73 73 LYS HA H 1 4.110 0.030 . 1 . . . . 73 LYS HA . 11160 1
854 . 1 1 73 73 LYS HB2 H 1 1.816 0.030 . 1 . . . . 73 LYS HB2 . 11160 1
855 . 1 1 73 73 LYS HB3 H 1 1.816 0.030 . 1 . . . . 73 LYS HB3 . 11160 1
856 . 1 1 73 73 LYS HD2 H 1 1.659 0.030 . 1 . . . . 73 LYS HD2 . 11160 1
857 . 1 1 73 73 LYS HD3 H 1 1.659 0.030 . 1 . . . . 73 LYS HD3 . 11160 1
858 . 1 1 73 73 LYS HE2 H 1 3.151 0.030 . 2 . . . . 73 LYS HE2 . 11160 1
859 . 1 1 73 73 LYS HE3 H 1 3.085 0.030 . 2 . . . . 73 LYS HE3 . 11160 1
860 . 1 1 73 73 LYS HG2 H 1 1.486 0.030 . 2 . . . . 73 LYS HG2 . 11160 1
861 . 1 1 73 73 LYS HG3 H 1 1.631 0.030 . 2 . . . . 73 LYS HG3 . 11160 1
862 . 1 1 73 73 LYS C C 13 177.796 0.300 . 1 . . . . 73 LYS C . 11160 1
863 . 1 1 73 73 LYS CA C 13 59.174 0.300 . 1 . . . . 73 LYS CA . 11160 1
864 . 1 1 73 73 LYS CB C 13 32.595 0.300 . 1 . . . . 73 LYS CB . 11160 1
865 . 1 1 73 73 LYS CD C 13 29.043 0.300 . 1 . . . . 73 LYS CD . 11160 1
866 . 1 1 73 73 LYS CE C 13 41.967 0.300 . 1 . . . . 73 LYS CE . 11160 1
867 . 1 1 73 73 LYS CG C 13 24.847 0.300 . 1 . . . . 73 LYS CG . 11160 1
868 . 1 1 73 73 LYS N N 15 119.920 0.300 . 1 . . . . 73 LYS N . 11160 1
869 . 1 1 74 74 ALA H H 1 8.266 0.030 . 1 . . . . 74 ALA H . 11160 1
870 . 1 1 74 74 ALA HA H 1 4.183 0.030 . 1 . . . . 74 ALA HA . 11160 1
871 . 1 1 74 74 ALA HB1 H 1 1.246 0.030 . 1 . . . . 74 ALA HB . 11160 1
872 . 1 1 74 74 ALA HB2 H 1 1.246 0.030 . 1 . . . . 74 ALA HB . 11160 1
873 . 1 1 74 74 ALA HB3 H 1 1.246 0.030 . 1 . . . . 74 ALA HB . 11160 1
874 . 1 1 74 74 ALA C C 13 179.337 0.300 . 1 . . . . 74 ALA C . 11160 1
875 . 1 1 74 74 ALA CA C 13 55.527 0.300 . 1 . . . . 74 ALA CA . 11160 1
876 . 1 1 74 74 ALA CB C 13 16.739 0.300 . 1 . . . . 74 ALA CB . 11160 1
877 . 1 1 74 74 ALA N N 15 120.343 0.300 . 1 . . . . 74 ALA N . 11160 1
878 . 1 1 75 75 ARG H H 1 7.429 0.030 . 1 . . . . 75 ARG H . 11160 1
879 . 1 1 75 75 ARG HA H 1 3.988 0.030 . 1 . . . . 75 ARG HA . 11160 1
880 . 1 1 75 75 ARG HB2 H 1 2.103 0.030 . 2 . . . . 75 ARG HB2 . 11160 1
881 . 1 1 75 75 ARG HB3 H 1 2.020 0.030 . 2 . . . . 75 ARG HB3 . 11160 1
882 . 1 1 75 75 ARG HD2 H 1 3.213 0.030 . 1 . . . . 75 ARG HD2 . 11160 1
883 . 1 1 75 75 ARG HD3 H 1 3.213 0.030 . 1 . . . . 75 ARG HD3 . 11160 1
884 . 1 1 75 75 ARG HG2 H 1 1.652 0.030 . 2 . . . . 75 ARG HG2 . 11160 1
885 . 1 1 75 75 ARG HG3 H 1 1.879 0.030 . 2 . . . . 75 ARG HG3 . 11160 1
886 . 1 1 75 75 ARG C C 13 179.787 0.300 . 1 . . . . 75 ARG C . 11160 1
887 . 1 1 75 75 ARG CA C 13 59.748 0.300 . 1 . . . . 75 ARG CA . 11160 1
888 . 1 1 75 75 ARG CB C 13 29.728 0.300 . 1 . . . . 75 ARG CB . 11160 1
889 . 1 1 75 75 ARG CD C 13 43.801 0.300 . 1 . . . . 75 ARG CD . 11160 1
890 . 1 1 75 75 ARG CG C 13 27.362 0.300 . 1 . . . . 75 ARG CG . 11160 1
891 . 1 1 75 75 ARG N N 15 118.010 0.300 . 1 . . . . 75 ARG N . 11160 1
892 . 1 1 76 76 ASP H H 1 8.513 0.030 . 1 . . . . 76 ASP H . 11160 1
893 . 1 1 76 76 ASP HA H 1 4.407 0.030 . 1 . . . . 76 ASP HA . 11160 1
894 . 1 1 76 76 ASP HB2 H 1 2.710 0.030 . 2 . . . . 76 ASP HB2 . 11160 1
895 . 1 1 76 76 ASP HB3 H 1 2.883 0.030 . 2 . . . . 76 ASP HB3 . 11160 1
896 . 1 1 76 76 ASP C C 13 179.444 0.300 . 1 . . . . 76 ASP C . 11160 1
897 . 1 1 76 76 ASP CA C 13 57.432 0.300 . 1 . . . . 76 ASP CA . 11160 1
898 . 1 1 76 76 ASP CB C 13 39.661 0.300 . 1 . . . . 76 ASP CB . 11160 1
899 . 1 1 76 76 ASP N N 15 123.506 0.300 . 1 . . . . 76 ASP N . 11160 1
900 . 1 1 77 77 ASN H H 1 8.889 0.030 . 1 . . . . 77 ASN H . 11160 1
901 . 1 1 77 77 ASN HA H 1 4.427 0.030 . 1 . . . . 77 ASN HA . 11160 1
902 . 1 1 77 77 ASN HB2 H 1 2.575 0.030 . 2 . . . . 77 ASN HB2 . 11160 1
903 . 1 1 77 77 ASN HB3 H 1 2.960 0.030 . 2 . . . . 77 ASN HB3 . 11160 1
904 . 1 1 77 77 ASN HD21 H 1 8.162 0.030 . 2 . . . . 77 ASN HD21 . 11160 1
905 . 1 1 77 77 ASN HD22 H 1 6.634 0.030 . 2 . . . . 77 ASN HD22 . 11160 1
906 . 1 1 77 77 ASN C C 13 177.905 0.300 . 1 . . . . 77 ASN C . 11160 1
907 . 1 1 77 77 ASN CA C 13 55.047 0.300 . 1 . . . . 77 ASN CA . 11160 1
908 . 1 1 77 77 ASN CB C 13 37.109 0.300 . 1 . . . . 77 ASN CB . 11160 1
909 . 1 1 77 77 ASN N N 15 121.570 0.300 . 1 . . . . 77 ASN N . 11160 1
910 . 1 1 77 77 ASN ND2 N 15 110.716 0.300 . 1 . . . . 77 ASN ND2 . 11160 1
911 . 1 1 78 78 ARG H H 1 8.244 0.030 . 1 . . . . 78 ARG H . 11160 1
912 . 1 1 78 78 ARG HA H 1 3.977 0.030 . 1 . . . . 78 ARG HA . 11160 1
913 . 1 1 78 78 ARG HB2 H 1 2.075 0.030 . 1 . . . . 78 ARG HB2 . 11160 1
914 . 1 1 78 78 ARG HB3 H 1 2.075 0.030 . 1 . . . . 78 ARG HB3 . 11160 1
915 . 1 1 78 78 ARG HD2 H 1 3.377 0.030 . 2 . . . . 78 ARG HD2 . 11160 1
916 . 1 1 78 78 ARG HD3 H 1 3.287 0.030 . 2 . . . . 78 ARG HD3 . 11160 1
917 . 1 1 78 78 ARG HG2 H 1 1.918 0.030 . 2 . . . . 78 ARG HG2 . 11160 1
918 . 1 1 78 78 ARG HG3 H 1 1.711 0.030 . 2 . . . . 78 ARG HG3 . 11160 1
919 . 1 1 78 78 ARG C C 13 178.398 0.300 . 1 . . . . 78 ARG C . 11160 1
920 . 1 1 78 78 ARG CA C 13 59.537 0.300 . 1 . . . . 78 ARG CA . 11160 1
921 . 1 1 78 78 ARG CB C 13 30.409 0.300 . 1 . . . . 78 ARG CB . 11160 1
922 . 1 1 78 78 ARG CD C 13 43.643 0.300 . 1 . . . . 78 ARG CD . 11160 1
923 . 1 1 78 78 ARG CG C 13 28.294 0.300 . 1 . . . . 78 ARG CG . 11160 1
924 . 1 1 78 78 ARG N N 15 121.479 0.300 . 1 . . . . 78 ARG N . 11160 1
925 . 1 1 79 79 ALA H H 1 7.916 0.030 . 1 . . . . 79 ALA H . 11160 1
926 . 1 1 79 79 ALA HA H 1 4.190 0.030 . 1 . . . . 79 ALA HA . 11160 1
927 . 1 1 79 79 ALA HB1 H 1 1.551 0.030 . 1 . . . . 79 ALA HB . 11160 1
928 . 1 1 79 79 ALA HB2 H 1 1.551 0.030 . 1 . . . . 79 ALA HB . 11160 1
929 . 1 1 79 79 ALA HB3 H 1 1.551 0.030 . 1 . . . . 79 ALA HB . 11160 1
930 . 1 1 79 79 ALA C C 13 179.356 0.300 . 1 . . . . 79 ALA C . 11160 1
931 . 1 1 79 79 ALA CA C 13 54.280 0.300 . 1 . . . . 79 ALA CA . 11160 1
932 . 1 1 79 79 ALA CB C 13 18.271 0.300 . 1 . . . . 79 ALA CB . 11160 1
933 . 1 1 79 79 ALA N N 15 121.413 0.300 . 1 . . . . 79 ALA N . 11160 1
934 . 1 1 80 80 ALA H H 1 7.786 0.030 . 1 . . . . 80 ALA H . 11160 1
935 . 1 1 80 80 ALA HA H 1 4.192 0.030 . 1 . . . . 80 ALA HA . 11160 1
936 . 1 1 80 80 ALA HB1 H 1 1.496 0.030 . 1 . . . . 80 ALA HB . 11160 1
937 . 1 1 80 80 ALA HB2 H 1 1.496 0.030 . 1 . . . . 80 ALA HB . 11160 1
938 . 1 1 80 80 ALA HB3 H 1 1.496 0.030 . 1 . . . . 80 ALA HB . 11160 1
939 . 1 1 80 80 ALA C C 13 178.924 0.300 . 1 . . . . 80 ALA C . 11160 1
940 . 1 1 80 80 ALA CA C 13 53.806 0.300 . 1 . . . . 80 ALA CA . 11160 1
941 . 1 1 80 80 ALA CB C 13 18.573 0.300 . 1 . . . . 80 ALA CB . 11160 1
942 . 1 1 80 80 ALA N N 15 120.293 0.300 . 1 . . . . 80 ALA N . 11160 1
943 . 1 1 81 81 LEU H H 1 7.637 0.030 . 1 . . . . 81 LEU H . 11160 1
944 . 1 1 81 81 LEU HA H 1 4.231 0.030 . 1 . . . . 81 LEU HA . 11160 1
945 . 1 1 81 81 LEU HB2 H 1 1.618 0.030 . 2 . . . . 81 LEU HB2 . 11160 1
946 . 1 1 81 81 LEU HB3 H 1 1.784 0.030 . 2 . . . . 81 LEU HB3 . 11160 1
947 . 1 1 81 81 LEU HD11 H 1 0.951 0.030 . 1 . . . . 81 LEU HD1 . 11160 1
948 . 1 1 81 81 LEU HD12 H 1 0.951 0.030 . 1 . . . . 81 LEU HD1 . 11160 1
949 . 1 1 81 81 LEU HD13 H 1 0.951 0.030 . 1 . . . . 81 LEU HD1 . 11160 1
950 . 1 1 81 81 LEU HD21 H 1 0.880 0.030 . 1 . . . . 81 LEU HD2 . 11160 1
951 . 1 1 81 81 LEU HD22 H 1 0.880 0.030 . 1 . . . . 81 LEU HD2 . 11160 1
952 . 1 1 81 81 LEU HD23 H 1 0.880 0.030 . 1 . . . . 81 LEU HD2 . 11160 1
953 . 1 1 81 81 LEU HG H 1 1.793 0.030 . 1 . . . . 81 LEU HG . 11160 1
954 . 1 1 81 81 LEU C C 13 177.935 0.300 . 1 . . . . 81 LEU C . 11160 1
955 . 1 1 81 81 LEU CA C 13 55.970 0.300 . 1 . . . . 81 LEU CA . 11160 1
956 . 1 1 81 81 LEU CB C 13 42.172 0.300 . 1 . . . . 81 LEU CB . 11160 1
957 . 1 1 81 81 LEU CD1 C 13 25.400 0.300 . 2 . . . . 81 LEU CD1 . 11160 1
958 . 1 1 81 81 LEU CD2 C 13 23.354 0.300 . 2 . . . . 81 LEU CD2 . 11160 1
959 . 1 1 81 81 LEU CG C 13 26.849 0.300 . 1 . . . . 81 LEU CG . 11160 1
960 . 1 1 81 81 LEU N N 15 118.064 0.300 . 1 . . . . 81 LEU N . 11160 1
961 . 1 1 82 82 ARG H H 1 7.819 0.030 . 1 . . . . 82 ARG H . 11160 1
962 . 1 1 82 82 ARG HA H 1 4.281 0.030 . 1 . . . . 82 ARG HA . 11160 1
963 . 1 1 82 82 ARG HB2 H 1 1.875 0.030 . 2 . . . . 82 ARG HB2 . 11160 1
964 . 1 1 82 82 ARG HB3 H 1 1.914 0.030 . 2 . . . . 82 ARG HB3 . 11160 1
965 . 1 1 82 82 ARG HD2 H 1 3.221 0.030 . 1 . . . . 82 ARG HD2 . 11160 1
966 . 1 1 82 82 ARG HD3 H 1 3.221 0.030 . 1 . . . . 82 ARG HD3 . 11160 1
967 . 1 1 82 82 ARG HG2 H 1 1.724 0.030 . 2 . . . . 82 ARG HG2 . 11160 1
968 . 1 1 82 82 ARG HG3 H 1 1.625 0.030 . 2 . . . . 82 ARG HG3 . 11160 1
969 . 1 1 82 82 ARG C C 13 176.677 0.300 . 1 . . . . 82 ARG C . 11160 1
970 . 1 1 82 82 ARG CA C 13 56.715 0.300 . 1 . . . . 82 ARG CA . 11160 1
971 . 1 1 82 82 ARG CB C 13 30.240 0.300 . 1 . . . . 82 ARG CB . 11160 1
972 . 1 1 82 82 ARG CD C 13 43.408 0.300 . 1 . . . . 82 ARG CD . 11160 1
973 . 1 1 82 82 ARG CG C 13 27.330 0.300 . 1 . . . . 82 ARG CG . 11160 1
974 . 1 1 82 82 ARG N N 15 119.538 0.300 . 1 . . . . 82 ARG N . 11160 1
975 . 1 1 83 83 ILE H H 1 7.860 0.030 . 1 . . . . 83 ILE H . 11160 1
976 . 1 1 83 83 ILE HA H 1 4.110 0.030 . 1 . . . . 83 ILE HA . 11160 1
977 . 1 1 83 83 ILE HB H 1 1.887 0.030 . 1 . . . . 83 ILE HB . 11160 1
978 . 1 1 83 83 ILE HD11 H 1 0.866 0.030 . 1 . . . . 83 ILE HD1 . 11160 1
979 . 1 1 83 83 ILE HD12 H 1 0.866 0.030 . 1 . . . . 83 ILE HD1 . 11160 1
980 . 1 1 83 83 ILE HD13 H 1 0.866 0.030 . 1 . . . . 83 ILE HD1 . 11160 1
981 . 1 1 83 83 ILE HG12 H 1 1.211 0.030 . 2 . . . . 83 ILE HG12 . 11160 1
982 . 1 1 83 83 ILE HG13 H 1 1.502 0.030 . 2 . . . . 83 ILE HG13 . 11160 1
983 . 1 1 83 83 ILE HG21 H 1 0.909 0.030 . 1 . . . . 83 ILE HG2 . 11160 1
984 . 1 1 83 83 ILE HG22 H 1 0.909 0.030 . 1 . . . . 83 ILE HG2 . 11160 1
985 . 1 1 83 83 ILE HG23 H 1 0.909 0.030 . 1 . . . . 83 ILE HG2 . 11160 1
986 . 1 1 83 83 ILE C C 13 176.147 0.300 . 1 . . . . 83 ILE C . 11160 1
987 . 1 1 83 83 ILE CA C 13 61.650 0.300 . 1 . . . . 83 ILE CA . 11160 1
988 . 1 1 83 83 ILE CB C 13 38.598 0.300 . 1 . . . . 83 ILE CB . 11160 1
989 . 1 1 83 83 ILE CD1 C 13 12.970 0.300 . 1 . . . . 83 ILE CD1 . 11160 1
990 . 1 1 83 83 ILE CG1 C 13 27.591 0.300 . 1 . . . . 83 ILE CG1 . 11160 1
991 . 1 1 83 83 ILE CG2 C 13 17.471 0.300 . 1 . . . . 83 ILE CG2 . 11160 1
992 . 1 1 83 83 ILE N N 15 120.037 0.300 . 1 . . . . 83 ILE N . 11160 1
993 . 1 1 84 84 ASN H H 1 8.339 0.030 . 1 . . . . 84 ASN H . 11160 1
994 . 1 1 84 84 ASN HA H 1 4.785 0.030 . 1 . . . . 84 ASN HA . 11160 1
995 . 1 1 84 84 ASN HB2 H 1 2.759 0.030 . 2 . . . . 84 ASN HB2 . 11160 1
996 . 1 1 84 84 ASN HB3 H 1 2.840 0.030 . 2 . . . . 84 ASN HB3 . 11160 1
997 . 1 1 84 84 ASN HD21 H 1 6.927 0.030 . 2 . . . . 84 ASN HD21 . 11160 1
998 . 1 1 84 84 ASN HD22 H 1 7.596 0.030 . 2 . . . . 84 ASN HD22 . 11160 1
999 . 1 1 84 84 ASN C C 13 175.012 0.300 . 1 . . . . 84 ASN C . 11160 1
1000 . 1 1 84 84 ASN CA C 13 53.466 0.300 . 1 . . . . 84 ASN CA . 11160 1
1001 . 1 1 84 84 ASN CB C 13 38.893 0.300 . 1 . . . . 84 ASN CB . 11160 1
1002 . 1 1 84 84 ASN N N 15 121.828 0.300 . 1 . . . . 84 ASN N . 11160 1
1003 . 1 1 84 84 ASN ND2 N 15 112.838 0.300 . 1 . . . . 84 ASN ND2 . 11160 1
1004 . 1 1 85 85 LYS H H 1 8.204 0.030 . 1 . . . . 85 LYS H . 11160 1
1005 . 1 1 85 85 LYS HA H 1 4.301 0.030 . 1 . . . . 85 LYS HA . 11160 1
1006 . 1 1 85 85 LYS HB2 H 1 1.773 0.030 . 2 . . . . 85 LYS HB2 . 11160 1
1007 . 1 1 85 85 LYS HB3 H 1 1.848 0.030 . 2 . . . . 85 LYS HB3 . 11160 1
1008 . 1 1 85 85 LYS HD2 H 1 1.683 0.030 . 1 . . . . 85 LYS HD2 . 11160 1
1009 . 1 1 85 85 LYS HD3 H 1 1.683 0.030 . 1 . . . . 85 LYS HD3 . 11160 1
1010 . 1 1 85 85 LYS HE2 H 1 3.154 0.030 . 1 . . . . 85 LYS HE2 . 11160 1
1011 . 1 1 85 85 LYS HE3 H 1 3.154 0.030 . 1 . . . . 85 LYS HE3 . 11160 1
1012 . 1 1 85 85 LYS HG2 H 1 1.432 0.030 . 1 . . . . 85 LYS HG2 . 11160 1
1013 . 1 1 85 85 LYS HG3 H 1 1.432 0.030 . 1 . . . . 85 LYS HG3 . 11160 1
1014 . 1 1 85 85 LYS C C 13 176.552 0.300 . 1 . . . . 85 LYS C . 11160 1
1015 . 1 1 85 85 LYS CA C 13 56.609 0.300 . 1 . . . . 85 LYS CA . 11160 1
1016 . 1 1 85 85 LYS CB C 13 32.914 0.300 . 1 . . . . 85 LYS CB . 11160 1
1017 . 1 1 85 85 LYS CD C 13 29.117 0.300 . 1 . . . . 85 LYS CD . 11160 1
1018 . 1 1 85 85 LYS CE C 13 41.961 0.300 . 1 . . . . 85 LYS CE . 11160 1
1019 . 1 1 85 85 LYS CG C 13 24.751 0.300 . 1 . . . . 85 LYS CG . 11160 1
1020 . 1 1 85 85 LYS N N 15 121.741 0.300 . 1 . . . . 85 LYS N . 11160 1
1021 . 1 1 86 86 VAL H H 1 8.112 0.030 . 1 . . . . 86 VAL H . 11160 1
1022 . 1 1 86 86 VAL HA H 1 4.056 0.030 . 1 . . . . 86 VAL HA . 11160 1
1023 . 1 1 86 86 VAL HB H 1 2.063 0.030 . 1 . . . . 86 VAL HB . 11160 1
1024 . 1 1 86 86 VAL HG11 H 1 0.949 0.030 . 1 . . . . 86 VAL HG1 . 11160 1
1025 . 1 1 86 86 VAL HG12 H 1 0.949 0.030 . 1 . . . . 86 VAL HG1 . 11160 1
1026 . 1 1 86 86 VAL HG13 H 1 0.949 0.030 . 1 . . . . 86 VAL HG1 . 11160 1
1027 . 1 1 86 86 VAL HG21 H 1 0.920 0.030 . 1 . . . . 86 VAL HG2 . 11160 1
1028 . 1 1 86 86 VAL HG22 H 1 0.920 0.030 . 1 . . . . 86 VAL HG2 . 11160 1
1029 . 1 1 86 86 VAL HG23 H 1 0.920 0.030 . 1 . . . . 86 VAL HG2 . 11160 1
1030 . 1 1 86 86 VAL C C 13 176.067 0.300 . 1 . . . . 86 VAL C . 11160 1
1031 . 1 1 86 86 VAL CA C 13 62.622 0.300 . 1 . . . . 86 VAL CA . 11160 1
1032 . 1 1 86 86 VAL CB C 13 32.659 0.300 . 1 . . . . 86 VAL CB . 11160 1
1033 . 1 1 86 86 VAL CG1 C 13 20.883 0.300 . 2 . . . . 86 VAL CG1 . 11160 1
1034 . 1 1 86 86 VAL CG2 C 13 21.188 0.300 . 2 . . . . 86 VAL CG2 . 11160 1
1035 . 1 1 86 86 VAL N N 15 121.318 0.300 . 1 . . . . 86 VAL N . 11160 1
1036 . 1 1 87 87 GLN H H 1 8.426 0.030 . 1 . . . . 87 GLN H . 11160 1
1037 . 1 1 87 87 GLN HA H 1 4.344 0.030 . 1 . . . . 87 GLN HA . 11160 1
1038 . 1 1 87 87 GLN HB2 H 1 2.091 0.030 . 2 . . . . 87 GLN HB2 . 11160 1
1039 . 1 1 87 87 GLN HB3 H 1 1.987 0.030 . 2 . . . . 87 GLN HB3 . 11160 1
1040 . 1 1 87 87 GLN HG2 H 1 2.360 0.030 . 1 . . . . 87 GLN HG2 . 11160 1
1041 . 1 1 87 87 GLN HG3 H 1 2.360 0.030 . 1 . . . . 87 GLN HG3 . 11160 1
1042 . 1 1 87 87 GLN C C 13 175.771 0.300 . 1 . . . . 87 GLN C . 11160 1
1043 . 1 1 87 87 GLN CA C 13 55.713 0.300 . 1 . . . . 87 GLN CA . 11160 1
1044 . 1 1 87 87 GLN CB C 13 29.408 0.300 . 1 . . . . 87 GLN CB . 11160 1
1045 . 1 1 87 87 GLN CG C 13 33.730 0.300 . 1 . . . . 87 GLN CG . 11160 1
1046 . 1 1 87 87 GLN N N 15 124.110 0.300 . 1 . . . . 87 GLN N . 11160 1
1047 . 1 1 88 88 MET H H 1 8.451 0.030 . 1 . . . . 88 MET H . 11160 1
1048 . 1 1 88 88 MET HA H 1 4.533 0.030 . 1 . . . . 88 MET HA . 11160 1
1049 . 1 1 88 88 MET HB2 H 1 2.130 0.030 . 2 . . . . 88 MET HB2 . 11160 1
1050 . 1 1 88 88 MET HB3 H 1 2.015 0.030 . 2 . . . . 88 MET HB3 . 11160 1
1051 . 1 1 88 88 MET HE1 H 1 2.097 0.030 . 1 . . . . 88 MET HE . 11160 1
1052 . 1 1 88 88 MET HE2 H 1 2.097 0.030 . 1 . . . . 88 MET HE . 11160 1
1053 . 1 1 88 88 MET HE3 H 1 2.097 0.030 . 1 . . . . 88 MET HE . 11160 1
1054 . 1 1 88 88 MET HG2 H 1 2.626 0.030 . 2 . . . . 88 MET HG2 . 11160 1
1055 . 1 1 88 88 MET HG3 H 1 2.546 0.030 . 2 . . . . 88 MET HG3 . 11160 1
1056 . 1 1 88 88 MET C C 13 176.027 0.300 . 1 . . . . 88 MET C . 11160 1
1057 . 1 1 88 88 MET CA C 13 55.445 0.300 . 1 . . . . 88 MET CA . 11160 1
1058 . 1 1 88 88 MET CB C 13 33.100 0.300 . 1 . . . . 88 MET CB . 11160 1
1059 . 1 1 88 88 MET CE C 13 17.029 0.300 . 1 . . . . 88 MET CE . 11160 1
1060 . 1 1 88 88 MET CG C 13 32.165 0.300 . 1 . . . . 88 MET CG . 11160 1
1061 . 1 1 88 88 MET N N 15 122.449 0.300 . 1 . . . . 88 MET N . 11160 1
1062 . 1 1 89 89 SER H H 1 8.332 0.030 . 1 . . . . 89 SER H . 11160 1
1063 . 1 1 89 89 SER HA H 1 4.481 0.030 . 1 . . . . 89 SER HA . 11160 1
1064 . 1 1 89 89 SER HB2 H 1 3.927 0.030 . 2 . . . . 89 SER HB2 . 11160 1
1065 . 1 1 89 89 SER HB3 H 1 3.873 0.030 . 2 . . . . 89 SER HB3 . 11160 1
1066 . 1 1 89 89 SER C C 13 173.328 0.300 . 1 . . . . 89 SER C . 11160 1
1067 . 1 1 89 89 SER CA C 13 58.239 0.300 . 1 . . . . 89 SER CA . 11160 1
1068 . 1 1 89 89 SER CB C 13 64.044 0.300 . 1 . . . . 89 SER CB . 11160 1
1069 . 1 1 89 89 SER N N 15 117.246 0.300 . 1 . . . . 89 SER N . 11160 1
1070 . 1 1 90 90 ASN H H 1 8.115 0.030 . 1 . . . . 90 ASN H . 11160 1
1071 . 1 1 90 90 ASN C C 13 179.464 0.300 . 1 . . . . 90 ASN C . 11160 1
1072 . 1 1 90 90 ASN N N 15 126.024 0.300 . 1 . . . . 90 ASN N . 11160 1
stop_
save_