data_6493
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6493
_Entry.Title
;
Assignment of the 1H, 13C, and 15N resonances of URNdesign, a computationally redisgned RRM protein
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2005-02-07
_Entry.Accession_date 2005-02-07
_Entry.Last_release_date 2005-11-03
_Entry.Original_release_date 2005-11-03
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Details 'Backbone assignments of URNdesign'
_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 Neil Dobson . . . 6493
2 Gautam Dantas . . . 6493
3 Gabriele Varani . . . 6493
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 6493
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 717 6493
'13C chemical shifts' 443 6493
'15N chemical shifts' 104 6493
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 . . 2005-11-03 2005-02-07 original author . 6493
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2A3J 'BMRB Entry Tracking System' 6493
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6493
_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 'Letter to the Editor: 1H, 13C and 15N resonance assignments of URNdesign, a computationally redesigned RRM protein'
_Citation.Status submitted
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biomol. NMR'
_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 Neil Dobson . . . 6493 1
2 Gautam Dantas . . . 6493 1
3 Gabriele Varani . . . 6493 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'Computational design' 6493 1
'NMR assignments' 6493 1
RRM 6493 1
'U1A protein' 6493 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 6493
_Assembly.ID 1
_Assembly.Name URNdesign
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites no
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'not present'
_Assembly.Molecular_mass 11454
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
protein 6493 1
stop_
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 URNdesign 1 $URNdesign . . yes native no no . . . 6493 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_URNdesign
_Entity.Sf_category entity
_Entity.Sf_framecode URNdesign
_Entity.Entry_ID 6493
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name URNdesign
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MDSPDLGSTPPHTEPSQVVL
ITNINPEVPKEKLQALLYAL
ASSQGDILDIVVDLSDDNSG
KAYIVFATQESAQAFVEAFQ
GYPFQGNPLVITFSETPQSQ
VAEDGSL
;
_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 107
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 11453
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
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 2A3J . "Structure Of Urndesign, A Complete Computational Redesign Of Human U1a Protein" . . . . . 100.00 127 100.00 100.00 1.23e-69 . . . . 6493 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 . MET . 6493 1
2 . ASP . 6493 1
3 . SER . 6493 1
4 . PRO . 6493 1
5 . ASP . 6493 1
6 . LEU . 6493 1
7 . GLY . 6493 1
8 . SER . 6493 1
9 . THR . 6493 1
10 . PRO . 6493 1
11 . PRO . 6493 1
12 . HIS . 6493 1
13 . THR . 6493 1
14 . GLU . 6493 1
15 . PRO . 6493 1
16 . SER . 6493 1
17 . GLN . 6493 1
18 . VAL . 6493 1
19 . VAL . 6493 1
20 . LEU . 6493 1
21 . ILE . 6493 1
22 . THR . 6493 1
23 . ASN . 6493 1
24 . ILE . 6493 1
25 . ASN . 6493 1
26 . PRO . 6493 1
27 . GLU . 6493 1
28 . VAL . 6493 1
29 . PRO . 6493 1
30 . LYS . 6493 1
31 . GLU . 6493 1
32 . LYS . 6493 1
33 . LEU . 6493 1
34 . GLN . 6493 1
35 . ALA . 6493 1
36 . LEU . 6493 1
37 . LEU . 6493 1
38 . TYR . 6493 1
39 . ALA . 6493 1
40 . LEU . 6493 1
41 . ALA . 6493 1
42 . SER . 6493 1
43 . SER . 6493 1
44 . GLN . 6493 1
45 . GLY . 6493 1
46 . ASP . 6493 1
47 . ILE . 6493 1
48 . LEU . 6493 1
49 . ASP . 6493 1
50 . ILE . 6493 1
51 . VAL . 6493 1
52 . VAL . 6493 1
53 . ASP . 6493 1
54 . LEU . 6493 1
55 . SER . 6493 1
56 . ASP . 6493 1
57 . ASP . 6493 1
58 . ASN . 6493 1
59 . SER . 6493 1
60 . GLY . 6493 1
61 . LYS . 6493 1
62 . ALA . 6493 1
63 . TYR . 6493 1
64 . ILE . 6493 1
65 . VAL . 6493 1
66 . PHE . 6493 1
67 . ALA . 6493 1
68 . THR . 6493 1
69 . GLN . 6493 1
70 . GLU . 6493 1
71 . SER . 6493 1
72 . ALA . 6493 1
73 . GLN . 6493 1
74 . ALA . 6493 1
75 . PHE . 6493 1
76 . VAL . 6493 1
77 . GLU . 6493 1
78 . ALA . 6493 1
79 . PHE . 6493 1
80 . GLN . 6493 1
81 . GLY . 6493 1
82 . TYR . 6493 1
83 . PRO . 6493 1
84 . PHE . 6493 1
85 . GLN . 6493 1
86 . GLY . 6493 1
87 . ASN . 6493 1
88 . PRO . 6493 1
89 . LEU . 6493 1
90 . VAL . 6493 1
91 . ILE . 6493 1
92 . THR . 6493 1
93 . PHE . 6493 1
94 . SER . 6493 1
95 . GLU . 6493 1
96 . THR . 6493 1
97 . PRO . 6493 1
98 . GLN . 6493 1
99 . SER . 6493 1
100 . GLN . 6493 1
101 . VAL . 6493 1
102 . ALA . 6493 1
103 . GLU . 6493 1
104 . ASP . 6493 1
105 . GLY . 6493 1
106 . SER . 6493 1
107 . LEU . 6493 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
. MET 1 1 6493 1
. ASP 2 2 6493 1
. SER 3 3 6493 1
. PRO 4 4 6493 1
. ASP 5 5 6493 1
. LEU 6 6 6493 1
. GLY 7 7 6493 1
. SER 8 8 6493 1
. THR 9 9 6493 1
. PRO 10 10 6493 1
. PRO 11 11 6493 1
. HIS 12 12 6493 1
. THR 13 13 6493 1
. GLU 14 14 6493 1
. PRO 15 15 6493 1
. SER 16 16 6493 1
. GLN 17 17 6493 1
. VAL 18 18 6493 1
. VAL 19 19 6493 1
. LEU 20 20 6493 1
. ILE 21 21 6493 1
. THR 22 22 6493 1
. ASN 23 23 6493 1
. ILE 24 24 6493 1
. ASN 25 25 6493 1
. PRO 26 26 6493 1
. GLU 27 27 6493 1
. VAL 28 28 6493 1
. PRO 29 29 6493 1
. LYS 30 30 6493 1
. GLU 31 31 6493 1
. LYS 32 32 6493 1
. LEU 33 33 6493 1
. GLN 34 34 6493 1
. ALA 35 35 6493 1
. LEU 36 36 6493 1
. LEU 37 37 6493 1
. TYR 38 38 6493 1
. ALA 39 39 6493 1
. LEU 40 40 6493 1
. ALA 41 41 6493 1
. SER 42 42 6493 1
. SER 43 43 6493 1
. GLN 44 44 6493 1
. GLY 45 45 6493 1
. ASP 46 46 6493 1
. ILE 47 47 6493 1
. LEU 48 48 6493 1
. ASP 49 49 6493 1
. ILE 50 50 6493 1
. VAL 51 51 6493 1
. VAL 52 52 6493 1
. ASP 53 53 6493 1
. LEU 54 54 6493 1
. SER 55 55 6493 1
. ASP 56 56 6493 1
. ASP 57 57 6493 1
. ASN 58 58 6493 1
. SER 59 59 6493 1
. GLY 60 60 6493 1
. LYS 61 61 6493 1
. ALA 62 62 6493 1
. TYR 63 63 6493 1
. ILE 64 64 6493 1
. VAL 65 65 6493 1
. PHE 66 66 6493 1
. ALA 67 67 6493 1
. THR 68 68 6493 1
. GLN 69 69 6493 1
. GLU 70 70 6493 1
. SER 71 71 6493 1
. ALA 72 72 6493 1
. GLN 73 73 6493 1
. ALA 74 74 6493 1
. PHE 75 75 6493 1
. VAL 76 76 6493 1
. GLU 77 77 6493 1
. ALA 78 78 6493 1
. PHE 79 79 6493 1
. GLN 80 80 6493 1
. GLY 81 81 6493 1
. TYR 82 82 6493 1
. PRO 83 83 6493 1
. PHE 84 84 6493 1
. GLN 85 85 6493 1
. GLY 86 86 6493 1
. ASN 87 87 6493 1
. PRO 88 88 6493 1
. LEU 89 89 6493 1
. VAL 90 90 6493 1
. ILE 91 91 6493 1
. THR 92 92 6493 1
. PHE 93 93 6493 1
. SER 94 94 6493 1
. GLU 95 95 6493 1
. THR 96 96 6493 1
. PRO 97 97 6493 1
. GLN 98 98 6493 1
. SER 99 99 6493 1
. GLN 100 100 6493 1
. VAL 101 101 6493 1
. ALA 102 102 6493 1
. GLU 103 103 6493 1
. ASP 104 104 6493 1
. GLY 105 105 6493 1
. SER 106 106 6493 1
. LEU 107 107 6493 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 6493
_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 $URNdesign . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6493 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 6493
_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 $URNdesign . 'recombinant technology' . . . . . . . . . . . . . 'E. coli' . . . . . . . . pET 29b . . . . . 6493 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 6493
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 URNdesign . . . 1 $URNdesign . . 1.0 . . mM . . . . 6493 1
stop_
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode conditions_1
_Sample_condition_list.Entry_ID 6493
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6.8 0.2 pH 6493 1
temperature 298 0.5 K 6493 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_500MHz_Spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 500MHz_Spectrometer
_NMR_spectrometer.Entry_ID 6493
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details 'Bruker Advance with TXI HCN triple resonance probe with triple axis gradients'
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500MHz
save_
save_750MHz_Spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 750MHz_Spectrometer
_NMR_spectrometer.Entry_ID 6493
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details 'Bruker Advance with TXI HCN triple resonance probe with z-axis gradients'
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750MHz
save_
save_600MHz_Spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 600MHz_Spectrometer
_NMR_spectrometer.Entry_ID 6493
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details 'spectrometer with cryoprobe'
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model .
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600MHz
save_
#############################
# NMR applied experiments #
#############################
save_NMR_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode NMR_experiment_list
_Experiment_list.Entry_ID 6493
_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 1H15N-HSQC no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $500MHz_Spectrometer . . . . . . . . . . . . . . . . 6493 1
2 HNCO no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1
3 HNCACB no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1
4 HBHA(CO)NH no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1
5 HN(CO)CA no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1
6 3D_15N_TOCSY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1
7 HCCH_TOCSY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1
8 3D_15N_NOESY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1
9 3D_13C_NOESY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1
10 2D_D2O_TOCSY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1
11 2D_D2O_NOESY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1
stop_
save_
save_1H15N-HSQC
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode 1H15N-HSQC
_NMR_spec_expt.Entry_ID 6493
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name .
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $500MHz_Spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_referencing
_Chem_shift_reference.Entry_ID 6493
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.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 . . . . . . . . . 6493 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6493 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6493 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6493
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 1H15N-HSQC 1 $sample_1 isotropic 6493 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 3 3 SER HA H 1 4.41 . . 1 . . . . 3 SER HA . 6493 1
2 . 1 1 3 3 SER HB2 H 1 3.97 . . 2 . . . . 3 SER HB2 . 6493 1
3 . 1 1 3 3 SER HB3 H 1 3.75 . . 2 . . . . 3 SER HB3 . 6493 1
4 . 1 1 3 3 SER CA C 13 55.0 . . 1 . . . . 3 SER CA . 6493 1
5 . 1 1 3 3 SER CB C 13 62.9 . . 1 . . . . 3 SER CB . 6493 1
6 . 1 1 4 4 PRO HA H 1 4.35 . . 1 . . . . 4 PRO HA . 6493 1
7 . 1 1 4 4 PRO HB2 H 1 2.15 . . 2 . . . . 4 PRO HB2 . 6493 1
8 . 1 1 4 4 PRO HB3 H 1 1.79 . . 2 . . . . 4 PRO HB3 . 6493 1
9 . 1 1 4 4 PRO HG2 H 1 1.90 . . 1 . . . . 4 PRO HG2 . 6493 1
10 . 1 1 4 4 PRO HG3 H 1 1.90 . . 1 . . . . 4 PRO HG3 . 6493 1
11 . 1 1 4 4 PRO HD2 H 1 3.65 . . 2 . . . . 4 PRO HD2 . 6493 1
12 . 1 1 4 4 PRO HD3 H 1 3.54 . . 2 . . . . 4 PRO HD3 . 6493 1
13 . 1 1 4 4 PRO C C 13 173.4 . . 1 . . . . 4 PRO C . 6493 1
14 . 1 1 4 4 PRO CA C 13 61.20 . . 1 . . . . 4 PRO CA . 6493 1
15 . 1 1 4 4 PRO CB C 13 29.70 . . 1 . . . . 4 PRO CB . 6493 1
16 . 1 1 4 4 PRO CG C 13 24.9 . . 1 . . . . 4 PRO CG . 6493 1
17 . 1 1 4 4 PRO CD C 13 48.1 . . 1 . . . . 4 PRO CD . 6493 1
18 . 1 1 5 5 ASP H H 1 8.23 . . 1 . . . . 5 ASP H . 6493 1
19 . 1 1 5 5 ASP HA H 1 4.47 . . 1 . . . . 5 ASP HA . 6493 1
20 . 1 1 5 5 ASP HB2 H 1 2.61 . . 2 . . . . 5 ASP HB2 . 6493 1
21 . 1 1 5 5 ASP HB3 H 1 2.48 . . 2 . . . . 5 ASP HB3 . 6493 1
22 . 1 1 5 5 ASP C C 13 173.30 . . 1 . . . . 5 ASP C . 6493 1
23 . 1 1 5 5 ASP CA C 13 52.0 . . 1 . . . . 5 ASP CA . 6493 1
24 . 1 1 5 5 ASP CB C 13 28.40 . . 1 . . . . 5 ASP CB . 6493 1
25 . 1 1 5 5 ASP N N 15 119.10 . . 1 . . . . 5 ASP N . 6493 1
26 . 1 1 6 6 LEU H H 1 8.10 . . 1 . . . . 6 LEU H . 6493 1
27 . 1 1 6 6 LEU HA H 1 4.23 . . 1 . . . . 6 LEU HA . 6493 1
28 . 1 1 6 6 LEU HB2 H 1 1.54 . . 2 . . . . 6 LEU HB2 . 6493 1
29 . 1 1 6 6 LEU HB3 H 1 1.69 . . 2 . . . . 6 LEU HB3 . 6493 1
30 . 1 1 6 6 LEU HG H 1 1.51 . . 1 . . . . 6 LEU HG . 6493 1
31 . 1 1 6 6 LEU HD11 H 1 0.82 . . 2 . . . . 6 LEU HD1 . 6493 1
32 . 1 1 6 6 LEU HD12 H 1 0.82 . . 2 . . . . 6 LEU HD1 . 6493 1
33 . 1 1 6 6 LEU HD13 H 1 0.82 . . 2 . . . . 6 LEU HD1 . 6493 1
34 . 1 1 6 6 LEU HD21 H 1 0.75 . . 2 . . . . 6 LEU HD2 . 6493 1
35 . 1 1 6 6 LEU HD22 H 1 0.75 . . 2 . . . . 6 LEU HD2 . 6493 1
36 . 1 1 6 6 LEU HD23 H 1 0.75 . . 2 . . . . 6 LEU HD2 . 6493 1
37 . 1 1 6 6 LEU C C 13 175.00 . . 1 . . . . 6 LEU C . 6493 1
38 . 1 1 6 6 LEU CA C 13 53.10 . . 1 . . . . 6 LEU CA . 6493 1
39 . 1 1 6 6 LEU CB C 13 39.60 . . 1 . . . . 6 LEU CB . 6493 1
40 . 1 1 6 6 LEU CG C 13 24.40 . . 1 . . . . 6 LEU CG . 6493 1
41 . 1 1 6 6 LEU CD1 C 13 22.5 . . 2 . . . . 6 LEU CD1 . 6493 1
42 . 1 1 6 6 LEU CD2 C 13 20.6 . . 2 . . . . 6 LEU CD2 . 6493 1
43 . 1 1 6 6 LEU N N 15 122.60 . . 1 . . . . 6 LEU N . 6493 1
44 . 1 1 7 7 GLY H H 1 8.33 . . 1 . . . . 7 GLY H . 6493 1
45 . 1 1 7 7 GLY HA2 H 1 3.86 . . 1 . . . . 7 GLY HA2 . 6493 1
46 . 1 1 7 7 GLY HA3 H 1 3.86 . . 1 . . . . 7 GLY HA3 . 6493 1
47 . 1 1 7 7 GLY C C 13 175.60 . . 1 . . . . 7 GLY C . 6493 1
48 . 1 1 7 7 GLY CA C 13 47.45 . . 1 . . . . 7 GLY CA . 6493 1
49 . 1 1 7 7 GLY N N 15 109.27 . . 1 . . . . 7 GLY N . 6493 1
50 . 1 1 8 8 SER H H 1 8.00 . . 1 . . . . 8 SER H . 6493 1
51 . 1 1 8 8 SER HA H 1 4.41 . . 1 . . . . 8 SER HA . 6493 1
52 . 1 1 8 8 SER HB2 H 1 3.72 . . 1 . . . . 8 SER HB2 . 6493 1
53 . 1 1 8 8 SER HB3 H 1 3.72 . . 1 . . . . 8 SER HB3 . 6493 1
54 . 1 1 8 8 SER C C 13 175.65 . . 1 . . . . 8 SER C . 6493 1
55 . 1 1 8 8 SER CA C 13 59.95 . . 1 . . . . 8 SER CA . 6493 1
56 . 1 1 8 8 SER CB C 13 65.95 . . 1 . . . . 8 SER CB . 6493 1
57 . 1 1 8 8 SER N N 15 114.70 . . 1 . . . . 8 SER N . 6493 1
58 . 1 1 9 9 THR H H 1 8.10 . . 1 . . . . 9 THR H . 6493 1
59 . 1 1 9 9 THR HA H 1 4.48 . . 1 . . . . 9 THR HA . 6493 1
60 . 1 1 9 9 THR HB H 1 4.00 . . 1 . . . . 9 THR HB . 6493 1
61 . 1 1 9 9 THR HG21 H 1 1.13 . . 1 . . . . 9 THR HG2 . 6493 1
62 . 1 1 9 9 THR HG22 H 1 1.13 . . 1 . . . . 9 THR HG2 . 6493 1
63 . 1 1 9 9 THR HG23 H 1 1.13 . . 1 . . . . 9 THR HG2 . 6493 1
64 . 1 1 9 9 THR CA C 13 61.95 . . 1 . . . . 9 THR CA . 6493 1
65 . 1 1 9 9 THR CB C 13 71.85 . . 1 . . . . 9 THR CB . 6493 1
66 . 1 1 9 9 THR CG2 C 13 23.25 . . 1 . . . . 9 THR CG2 . 6493 1
67 . 1 1 9 9 THR N N 15 118.71 . . 1 . . . . 9 THR N . 6493 1
68 . 1 1 10 10 PRO HA H 1 4.56 . . 1 . . . . 10 PRO HA . 6493 1
69 . 1 1 10 10 PRO HB2 H 1 2.25 . . 2 . . . . 10 PRO HB2 . 6493 1
70 . 1 1 10 10 PRO HB3 H 1 1.76 . . 2 . . . . 10 PRO HB3 . 6493 1
71 . 1 1 10 10 PRO HG2 H 1 1.93 . . 2 . . . . 10 PRO HG2 . 6493 1
72 . 1 1 10 10 PRO HG3 H 1 1.92 . . 2 . . . . 10 PRO HG3 . 6493 1
73 . 1 1 10 10 PRO HD2 H 1 3.77 . . 2 . . . . 10 PRO HD2 . 6493 1
74 . 1 1 10 10 PRO HD3 H 1 3.57 . . 2 . . . . 10 PRO HD3 . 6493 1
75 . 1 1 10 10 PRO CA C 13 65.45 . . 1 . . . . 10 PRO CA . 6493 1
76 . 1 1 10 10 PRO CB C 13 32.75 . . 1 . . . . 10 PRO CB . 6493 1
77 . 1 1 10 10 PRO CG C 13 29.15 . . 1 . . . . 10 PRO CG . 6493 1
78 . 1 1 10 10 PRO CD C 13 53.15 . . 1 . . . . 10 PRO CD . 6493 1
79 . 1 1 11 11 PRO HA H 1 4.32 . . 1 . . . . 11 PRO HA . 6493 1
80 . 1 1 11 11 PRO HB2 H 1 2.17 . . 2 . . . . 11 PRO HB2 . 6493 1
81 . 1 1 11 11 PRO HB3 H 1 1.76 . . 2 . . . . 11 PRO HB3 . 6493 1
82 . 1 1 11 11 PRO HG2 H 1 1.9 . . 1 . . . . 11 PRO HG2 . 6493 1
83 . 1 1 11 11 PRO HG3 H 1 1.9 . . 1 . . . . 11 PRO HG3 . 6493 1
84 . 1 1 11 11 PRO HD2 H 1 3.70 . . 2 . . . . 11 PRO HD2 . 6493 1
85 . 1 1 11 11 PRO HD3 H 1 3.55 . . 2 . . . . 11 PRO HD3 . 6493 1
86 . 1 1 11 11 PRO C C 13 177.70 . . 1 . . . . 11 PRO C . 6493 1
87 . 1 1 11 11 PRO CA C 13 64.95 . . 1 . . . . 11 PRO CA . 6493 1
88 . 1 1 11 11 PRO CB C 13 34.15 . . 1 . . . . 11 PRO CB . 6493 1
89 . 1 1 11 11 PRO CG C 13 28.95 . . 1 . . . . 11 PRO CG . 6493 1
90 . 1 1 11 11 PRO CD C 13 52.65 . . 1 . . . . 11 PRO CD . 6493 1
91 . 1 1 12 12 HIS H H 1 8.46 . . 1 . . . . 12 HIS H . 6493 1
92 . 1 1 12 12 HIS HA H 1 4.63 . . 1 . . . . 12 HIS HA . 6493 1
93 . 1 1 12 12 HIS HB2 H 1 3.11 . . 1 . . . . 12 HIS HB2 . 6493 1
94 . 1 1 12 12 HIS HB3 H 1 3.11 . . 1 . . . . 12 HIS HB3 . 6493 1
95 . 1 1 12 12 HIS C C 13 176.30 . . 1 . . . . 12 HIS C . 6493 1
96 . 1 1 12 12 HIS CA C 13 57.85 . . 1 . . . . 12 HIS CA . 6493 1
97 . 1 1 12 12 HIS CB C 13 31.65 . . 1 . . . . 12 HIS CB . 6493 1
98 . 1 1 12 12 HIS N N 15 119.65 . . 1 . . . . 12 HIS N . 6493 1
99 . 1 1 13 13 THR H H 1 8.04 . . 1 . . . . 13 THR H . 6493 1
100 . 1 1 13 13 THR HA H 1 4.25 . . 1 . . . . 13 THR HA . 6493 1
101 . 1 1 13 13 THR HB H 1 4.03 . . 1 . . . . 13 THR HB . 6493 1
102 . 1 1 13 13 THR HG21 H 1 1.09 . . 1 . . . . 13 THR HG2 . 6493 1
103 . 1 1 13 13 THR HG22 H 1 1.09 . . 1 . . . . 13 THR HG2 . 6493 1
104 . 1 1 13 13 THR HG23 H 1 1.09 . . 1 . . . . 13 THR HG2 . 6493 1
105 . 1 1 13 13 THR C C 13 175.15 . . 1 . . . . 13 THR C . 6493 1
106 . 1 1 13 13 THR CA C 13 63.55 . . 1 . . . . 13 THR CA . 6493 1
107 . 1 1 13 13 THR CB C 13 72.15 . . 1 . . . . 13 THR CB . 6493 1
108 . 1 1 13 13 THR CG2 C 13 23.75 . . 1 . . . . 13 THR CG2 . 6493 1
109 . 1 1 13 13 THR N N 15 117.25 . . 1 . . . . 13 THR N . 6493 1
110 . 1 1 14 14 GLU H H 1 8.33 . . 1 . . . . 14 GLU H . 6493 1
111 . 1 1 14 14 GLU HA H 1 4.43 . . 1 . . . . 14 GLU HA . 6493 1
112 . 1 1 14 14 GLU HB2 H 1 1.93 . . 2 . . . . 14 GLU HB2 . 6493 1
113 . 1 1 14 14 GLU HB3 H 1 1.74 . . 2 . . . . 14 GLU HB3 . 6493 1
114 . 1 1 14 14 GLU HG2 H 1 2.19 . . 1 . . . . 14 GLU HG2 . 6493 1
115 . 1 1 14 14 GLU HG3 H 1 2.19 . . 1 . . . . 14 GLU HG3 . 6493 1
116 . 1 1 14 14 GLU CA C 13 55.95 . . 1 . . . . 14 GLU CA . 6493 1
117 . 1 1 14 14 GLU CB C 13 31.75 . . 1 . . . . 14 GLU CB . 6493 1
118 . 1 1 14 14 GLU CG C 13 38.15 . . 1 . . . . 14 GLU CG . 6493 1
119 . 1 1 14 14 GLU N N 15 124.99 . . 1 . . . . 14 GLU N . 6493 1
120 . 1 1 15 15 PRO HA H 1 3.15 . . 1 . . . . 15 PRO HA . 6493 1
121 . 1 1 15 15 PRO HB2 H 1 1.70 . . 2 . . . . 15 PRO HB2 . 6493 1
122 . 1 1 15 15 PRO HB3 H 1 1.52 . . 2 . . . . 15 PRO HB3 . 6493 1
123 . 1 1 15 15 PRO HG2 H 1 1.80 . . 1 . . . . 15 PRO HG2 . 6493 1
124 . 1 1 15 15 PRO HG3 H 1 1.80 . . 1 . . . . 15 PRO HG3 . 6493 1
125 . 1 1 15 15 PRO HD2 H 1 3.61 . . 2 . . . . 15 PRO HD2 . 6493 1
126 . 1 1 15 15 PRO HD3 H 1 3.48 . . 2 . . . . 15 PRO HD3 . 6493 1
127 . 1 1 15 15 PRO C C 13 176.85 . . 1 . . . . 15 PRO C . 6493 1
128 . 1 1 15 15 PRO CA C 13 64.75 . . 1 . . . . 15 PRO CA . 6493 1
129 . 1 1 15 15 PRO CB C 13 33.95 . . 1 . . . . 15 PRO CB . 6493 1
130 . 1 1 15 15 PRO CG C 13 29.15 . . 1 . . . . 15 PRO CG . 6493 1
131 . 1 1 15 15 PRO CD C 13 52.25 . . 1 . . . . 15 PRO CD . 6493 1
132 . 1 1 16 16 SER H H 1 7.08 . . 1 . . . . 16 SER H . 6493 1
133 . 1 1 16 16 SER HA H 1 4.41 . . 1 . . . . 16 SER HA . 6493 1
134 . 1 1 16 16 SER HB2 H 1 3.95 . . 2 . . . . 16 SER HB2 . 6493 1
135 . 1 1 16 16 SER HB3 H 1 3.75 . . 2 . . . . 16 SER HB3 . 6493 1
136 . 1 1 16 16 SER C C 13 174.45 . . 1 . . . . 16 SER C . 6493 1
137 . 1 1 16 16 SER CA C 13 58.65 . . 1 . . . . 16 SER CA . 6493 1
138 . 1 1 16 16 SER CB C 13 66.95 . . 1 . . . . 16 SER CB . 6493 1
139 . 1 1 16 16 SER N N 15 114.55 . . 1 . . . . 16 SER N . 6493 1
140 . 1 1 17 17 GLN H H 1 8.35 . . 1 . . . . 17 GLN H . 6493 1
141 . 1 1 17 17 GLN HA H 1 4.32 . . 1 . . . . 17 GLN HA . 6493 1
142 . 1 1 17 17 GLN HB2 H 1 2.08 . . 2 . . . . 17 GLN HB2 . 6493 1
143 . 1 1 17 17 GLN HB3 H 1 2.02 . . 2 . . . . 17 GLN HB3 . 6493 1
144 . 1 1 17 17 GLN HG2 H 1 2.11 . . 2 . . . . 17 GLN HG2 . 6493 1
145 . 1 1 17 17 GLN HG3 H 1 2.02 . . 2 . . . . 17 GLN HG3 . 6493 1
146 . 1 1 17 17 GLN HE21 H 1 7.64 . . 2 . . . . 17 GLN HE21 . 6493 1
147 . 1 1 17 17 GLN HE22 H 1 6.81 . . 2 . . . . 17 GLN HE22 . 6493 1
148 . 1 1 17 17 GLN C C 13 177.25 . . 1 . . . . 17 GLN C . 6493 1
149 . 1 1 17 17 GLN CA C 13 58.65 . . 1 . . . . 17 GLN CA . 6493 1
150 . 1 1 17 17 GLN CB C 13 32.65 . . 1 . . . . 17 GLN CB . 6493 1
151 . 1 1 17 17 GLN CG C 13 36.95 . . 1 . . . . 17 GLN CG . 6493 1
152 . 1 1 17 17 GLN N N 15 117.05 . . 1 . . . . 17 GLN N . 6493 1
153 . 1 1 17 17 GLN NE2 N 15 110.90 . . 1 . . . . 17 GLN NE2 . 6493 1
154 . 1 1 18 18 VAL H H 1 8.39 . . 1 . . . . 18 VAL H . 6493 1
155 . 1 1 18 18 VAL HA H 1 4.85 . . 1 . . . . 18 VAL HA . 6493 1
156 . 1 1 18 18 VAL HB H 1 2.03 . . 1 . . . . 18 VAL HB . 6493 1
157 . 1 1 18 18 VAL HG11 H 1 0.91 . . 2 . . . . 18 VAL HG1 . 6493 1
158 . 1 1 18 18 VAL HG12 H 1 0.91 . . 2 . . . . 18 VAL HG1 . 6493 1
159 . 1 1 18 18 VAL HG13 H 1 0.91 . . 2 . . . . 18 VAL HG1 . 6493 1
160 . 1 1 18 18 VAL HG21 H 1 0.82 . . 2 . . . . 18 VAL HG2 . 6493 1
161 . 1 1 18 18 VAL HG22 H 1 0.82 . . 2 . . . . 18 VAL HG2 . 6493 1
162 . 1 1 18 18 VAL HG23 H 1 0.82 . . 2 . . . . 18 VAL HG2 . 6493 1
163 . 1 1 18 18 VAL C C 13 176.75 . . 1 . . . . 18 VAL C . 6493 1
164 . 1 1 18 18 VAL CA C 13 64.15 . . 1 . . . . 18 VAL CA . 6493 1
165 . 1 1 18 18 VAL CB C 13 34.55 . . 1 . . . . 18 VAL CB . 6493 1
166 . 1 1 18 18 VAL CG1 C 13 24.2 . . 2 . . . . 18 VAL CG1 . 6493 1
167 . 1 1 18 18 VAL CG2 C 13 23.7 . . 2 . . . . 18 VAL CG2 . 6493 1
168 . 1 1 18 18 VAL N N 15 121.95 . . 1 . . . . 18 VAL N . 6493 1
169 . 1 1 19 19 VAL H H 1 8.97 . . 1 . . . . 19 VAL H . 6493 1
170 . 1 1 19 19 VAL HA H 1 4.74 . . 1 . . . . 19 VAL HA . 6493 1
171 . 1 1 19 19 VAL HB H 1 1.97 . . 1 . . . . 19 VAL HB . 6493 1
172 . 1 1 19 19 VAL HG11 H 1 0.93 . . 2 . . . . 19 VAL HG1 . 6493 1
173 . 1 1 19 19 VAL HG12 H 1 0.93 . . 2 . . . . 19 VAL HG1 . 6493 1
174 . 1 1 19 19 VAL HG13 H 1 0.93 . . 2 . . . . 19 VAL HG1 . 6493 1
175 . 1 1 19 19 VAL HG21 H 1 0.81 . . 2 . . . . 19 VAL HG2 . 6493 1
176 . 1 1 19 19 VAL HG22 H 1 0.81 . . 2 . . . . 19 VAL HG2 . 6493 1
177 . 1 1 19 19 VAL HG23 H 1 0.81 . . 2 . . . . 19 VAL HG2 . 6493 1
178 . 1 1 19 19 VAL C C 13 174.55 . . 1 . . . . 19 VAL C . 6493 1
179 . 1 1 19 19 VAL CA C 13 61.85 . . 1 . . . . 19 VAL CA . 6493 1
180 . 1 1 19 19 VAL CB C 13 36.05 . . 1 . . . . 19 VAL CB . 6493 1
181 . 1 1 19 19 VAL CG1 C 13 23.5 . . 2 . . . . 19 VAL CG1 . 6493 1
182 . 1 1 19 19 VAL CG2 C 13 24.5 . . 2 . . . . 19 VAL CG2 . 6493 1
183 . 1 1 19 19 VAL N N 15 123.25 . . 1 . . . . 19 VAL N . 6493 1
184 . 1 1 20 20 LEU H H 1 8.97 . . 1 . . . . 20 LEU H . 6493 1
185 . 1 1 20 20 LEU HA H 1 4.80 . . 1 . . . . 20 LEU HA . 6493 1
186 . 1 1 20 20 LEU HB2 H 1 1.53 . . 2 . . . . 20 LEU HB2 . 6493 1
187 . 1 1 20 20 LEU HB3 H 1 1.06 . . 2 . . . . 20 LEU HB3 . 6493 1
188 . 1 1 20 20 LEU HG H 1 1.18 . . 1 . . . . 20 LEU HG . 6493 1
189 . 1 1 20 20 LEU HD11 H 1 0.62 . . 2 . . . . 20 LEU HD1 . 6493 1
190 . 1 1 20 20 LEU HD12 H 1 0.62 . . 2 . . . . 20 LEU HD1 . 6493 1
191 . 1 1 20 20 LEU HD13 H 1 0.62 . . 2 . . . . 20 LEU HD1 . 6493 1
192 . 1 1 20 20 LEU HD21 H 1 0.14 . . 2 . . . . 20 LEU HD2 . 6493 1
193 . 1 1 20 20 LEU HD22 H 1 0.14 . . 2 . . . . 20 LEU HD2 . 6493 1
194 . 1 1 20 20 LEU HD23 H 1 0.14 . . 2 . . . . 20 LEU HD2 . 6493 1
195 . 1 1 20 20 LEU C C 13 176.15 . . 1 . . . . 20 LEU C . 6493 1
196 . 1 1 20 20 LEU CA C 13 55.58 . . 1 . . . . 20 LEU CA . 6493 1
197 . 1 1 20 20 LEU CB C 13 46.05 . . 1 . . . . 20 LEU CB . 6493 1
198 . 1 1 20 20 LEU CG C 13 28.95 . . 1 . . . . 20 LEU CG . 6493 1
199 . 1 1 20 20 LEU CD1 C 13 28.0 . . 2 . . . . 20 LEU CD1 . 6493 1
200 . 1 1 20 20 LEU CD2 C 13 23.6 . . 2 . . . . 20 LEU CD2 . 6493 1
201 . 1 1 20 20 LEU N N 15 126.80 . . 1 . . . . 20 LEU N . 6493 1
202 . 1 1 21 21 ILE H H 1 9.31 . . 1 . . . . 21 ILE H . 6493 1
203 . 1 1 21 21 ILE HA H 1 4.89 . . 1 . . . . 21 ILE HA . 6493 1
204 . 1 1 21 21 ILE HB H 1 1.56 . . 1 . . . . 21 ILE HB . 6493 1
205 . 1 1 21 21 ILE HG12 H 1 1.53 . . 4 . . . . 21 ILE HG12 . 6493 1
206 . 1 1 21 21 ILE HG13 H 1 0.93 . . 4 . . . . 21 ILE HG13 . 6493 1
207 . 1 1 21 21 ILE HG21 H 1 0.79 . . 4 . . . . 21 ILE HG2 . 6493 1
208 . 1 1 21 21 ILE HG22 H 1 0.79 . . 4 . . . . 21 ILE HG2 . 6493 1
209 . 1 1 21 21 ILE HG23 H 1 0.79 . . 4 . . . . 21 ILE HG2 . 6493 1
210 . 1 1 21 21 ILE HD11 H 1 0.70 . . 1 . . . . 21 ILE HD1 . 6493 1
211 . 1 1 21 21 ILE HD12 H 1 0.70 . . 1 . . . . 21 ILE HD1 . 6493 1
212 . 1 1 21 21 ILE HD13 H 1 0.70 . . 1 . . . . 21 ILE HD1 . 6493 1
213 . 1 1 21 21 ILE C C 13 176.75 . . 1 . . . . 21 ILE C . 6493 1
214 . 1 1 21 21 ILE CA C 13 61.95 . . 1 . . . . 21 ILE CA . 6493 1
215 . 1 1 21 21 ILE CB C 13 41.85 . . 1 . . . . 21 ILE CB . 6493 1
216 . 1 1 21 21 ILE CG1 C 13 30.2 . . 2 . . . . 21 ILE CG1 . 6493 1
217 . 1 1 21 21 ILE CG2 C 13 22.9 . . 2 . . . . 21 ILE CG2 . 6493 1
218 . 1 1 21 21 ILE CD1 C 13 17.45 . . 1 . . . . 21 ILE CD1 . 6493 1
219 . 1 1 21 21 ILE N N 15 127.60 . . 1 . . . . 21 ILE N . 6493 1
220 . 1 1 22 22 THR H H 1 8.93 . . 1 . . . . 22 THR H . 6493 1
221 . 1 1 22 22 THR HA H 1 4.86 . . 1 . . . . 22 THR HA . 6493 1
222 . 1 1 22 22 THR HB H 1 4.27 . . 1 . . . . 22 THR HB . 6493 1
223 . 1 1 22 22 THR HG21 H 1 1.03 . . 1 . . . . 22 THR HG2 . 6493 1
224 . 1 1 22 22 THR HG22 H 1 1.03 . . 1 . . . . 22 THR HG2 . 6493 1
225 . 1 1 22 22 THR HG23 H 1 1.03 . . 1 . . . . 22 THR HG2 . 6493 1
226 . 1 1 22 22 THR C C 13 174.95 . . 1 . . . . 22 THR C . 6493 1
227 . 1 1 22 22 THR CA C 13 62.15 . . 1 . . . . 22 THR CA . 6493 1
228 . 1 1 22 22 THR CB C 13 73.45 . . 1 . . . . 22 THR CB . 6493 1
229 . 1 1 22 22 THR CG2 C 13 23.05 . . 1 . . . . 22 THR CG2 . 6493 1
230 . 1 1 22 22 THR N N 15 116.30 . . 1 . . . . 22 THR N . 6493 1
231 . 1 1 23 23 ASN H H 1 8.59 . . 1 . . . . 23 ASN H . 6493 1
232 . 1 1 23 23 ASN HA H 1 4.31 . . 1 . . . . 23 ASN HA . 6493 1
233 . 1 1 23 23 ASN HB2 H 1 3.63 . . 2 . . . . 23 ASN HB2 . 6493 1
234 . 1 1 23 23 ASN HB3 H 1 2.43 . . 2 . . . . 23 ASN HB3 . 6493 1
235 . 1 1 23 23 ASN HD21 H 1 8.13 . . 2 . . . . 23 ASN HD21 . 6493 1
236 . 1 1 23 23 ASN HD22 H 1 7.02 . . 2 . . . . 23 ASN HD22 . 6493 1
237 . 1 1 23 23 ASN C C 13 176.75 . . 1 . . . . 23 ASN C . 6493 1
238 . 1 1 23 23 ASN CA C 13 56.15 . . 1 . . . . 23 ASN CA . 6493 1
239 . 1 1 23 23 ASN CB C 13 40.95 . . 1 . . . . 23 ASN CB . 6493 1
240 . 1 1 23 23 ASN N N 15 114.90 . . 1 . . . . 23 ASN N . 6493 1
241 . 1 1 23 23 ASN ND2 N 15 110.80 . . 1 . . . . 23 ASN ND2 . 6493 1
242 . 1 1 24 24 ILE H H 1 7.39 . . 1 . . . . 24 ILE H . 6493 1
243 . 1 1 24 24 ILE HA H 1 3.84 . . 1 . . . . 24 ILE HA . 6493 1
244 . 1 1 24 24 ILE HB H 1 1.12 . . 1 . . . . 24 ILE HB . 6493 1
245 . 1 1 24 24 ILE HG12 H 1 1.19 . . 4 . . . . 24 ILE HG12 . 6493 1
246 . 1 1 24 24 ILE HG13 H 1 0.63 . . 4 . . . . 24 ILE HG13 . 6493 1
247 . 1 1 24 24 ILE HG21 H 1 0.78 . . 4 . . . . 24 ILE HG2 . 6493 1
248 . 1 1 24 24 ILE HG22 H 1 0.78 . . 4 . . . . 24 ILE HG2 . 6493 1
249 . 1 1 24 24 ILE HG23 H 1 0.78 . . 4 . . . . 24 ILE HG2 . 6493 1
250 . 1 1 24 24 ILE HD11 H 1 0.44 . . 1 . . . . 24 ILE HD1 . 6493 1
251 . 1 1 24 24 ILE HD12 H 1 0.44 . . 1 . . . . 24 ILE HD1 . 6493 1
252 . 1 1 24 24 ILE HD13 H 1 0.44 . . 1 . . . . 24 ILE HD1 . 6493 1
253 . 1 1 24 24 ILE C C 13 177.35 . . 1 . . . . 24 ILE C . 6493 1
254 . 1 1 24 24 ILE CA C 13 62.75 . . 1 . . . . 24 ILE CA . 6493 1
255 . 1 1 24 24 ILE CB C 13 40.95 . . 1 . . . . 24 ILE CB . 6493 1
256 . 1 1 24 24 ILE CG1 C 13 29.6 . . 2 . . . . 24 ILE CG1 . 6493 1
257 . 1 1 24 24 ILE CG2 C 13 20.5 . . 2 . . . . 24 ILE CG2 . 6493 1
258 . 1 1 24 24 ILE CD1 C 13 15.85 . . 1 . . . . 24 ILE CD1 . 6493 1
259 . 1 1 24 24 ILE N N 15 117.24 . . 1 . . . . 24 ILE N . 6493 1
260 . 1 1 25 25 ASN H H 1 8.95 . . 1 . . . . 25 ASN H . 6493 1
261 . 1 1 25 25 ASN HA H 1 4.50 . . 1 . . . . 25 ASN HA . 6493 1
262 . 1 1 25 25 ASN HB2 H 1 2.85 . . 2 . . . . 25 ASN HB2 . 6493 1
263 . 1 1 25 25 ASN HB3 H 1 2.71 . . 2 . . . . 25 ASN HB3 . 6493 1
264 . 1 1 25 25 ASN HD21 H 1 7.66 . . 2 . . . . 25 ASN HD21 . 6493 1
265 . 1 1 25 25 ASN HD22 H 1 7.05 . . 2 . . . . 25 ASN HD22 . 6493 1
266 . 1 1 25 25 ASN CA C 13 53.45 . . 1 . . . . 25 ASN CA . 6493 1
267 . 1 1 25 25 ASN CB C 13 41.15 . . 1 . . . . 25 ASN CB . 6493 1
268 . 1 1 25 25 ASN N N 15 128.89 . . 1 . . . . 25 ASN N . 6493 1
269 . 1 1 25 25 ASN ND2 N 15 111.30 . . 1 . . . . 25 ASN ND2 . 6493 1
270 . 1 1 26 26 PRO HA H 1 4.36 . . 1 . . . . 26 PRO HA . 6493 1
271 . 1 1 26 26 PRO HB2 H 1 2.02 . . 2 . . . . 26 PRO HB2 . 6493 1
272 . 1 1 26 26 PRO HB3 H 1 1.93 . . 2 . . . . 26 PRO HB3 . 6493 1
273 . 1 1 26 26 PRO HG2 H 1 1.83 . . 1 . . . . 26 PRO HG2 . 6493 1
274 . 1 1 26 26 PRO HG3 H 1 1.83 . . 1 . . . . 26 PRO HG3 . 6493 1
275 . 1 1 26 26 PRO HD2 H 1 3.91 . . 2 . . . . 26 PRO HD2 . 6493 1
276 . 1 1 26 26 PRO HD3 H 1 3.75 . . 2 . . . . 26 PRO HD3 . 6493 1
277 . 1 1 26 26 PRO C C 13 175.90 . . 1 . . . . 26 PRO C . 6493 1
278 . 1 1 26 26 PRO CA C 13 65.55 . . 1 . . . . 26 PRO CA . 6493 1
279 . 1 1 26 26 PRO CB C 13 34.35 . . 1 . . . . 26 PRO CB . 6493 1
280 . 1 1 26 26 PRO CG C 13 28.95 . . 1 . . . . 26 PRO CG . 6493 1
281 . 1 1 26 26 PRO CD C 13 52.95 . . 1 . . . . 26 PRO CD . 6493 1
282 . 1 1 27 27 GLU H H 1 8.11 . . 1 . . . . 27 GLU H . 6493 1
283 . 1 1 27 27 GLU HA H 1 4.11 . . 1 . . . . 27 GLU HA . 6493 1
284 . 1 1 27 27 GLU HB2 H 1 2.00 . . 2 . . . . 27 GLU HB2 . 6493 1
285 . 1 1 27 27 GLU HB3 H 1 1.79 . . 2 . . . . 27 GLU HB3 . 6493 1
286 . 1 1 27 27 GLU HG2 H 1 2.19 . . 2 . . . . 27 GLU HG2 . 6493 1
287 . 1 1 27 27 GLU HG3 H 1 2.10 . . 2 . . . . 27 GLU HG3 . 6493 1
288 . 1 1 27 27 GLU C C 13 178.10 . . 1 . . . . 27 GLU C . 6493 1
289 . 1 1 27 27 GLU CA C 13 58.55 . . 1 . . . . 27 GLU CA . 6493 1
290 . 1 1 27 27 GLU CB C 13 31.45 . . 1 . . . . 27 GLU CB . 6493 1
291 . 1 1 27 27 GLU CG C 13 39.05 . . 1 . . . . 27 GLU CG . 6493 1
292 . 1 1 27 27 GLU N N 15 118.30 . . 1 . . . . 27 GLU N . 6493 1
293 . 1 1 28 28 VAL H H 1 7.10 . . 1 . . . . 28 VAL H . 6493 1
294 . 1 1 28 28 VAL HA H 1 4.12 . . 1 . . . . 28 VAL HA . 6493 1
295 . 1 1 28 28 VAL HB H 1 1.92 . . 1 . . . . 28 VAL HB . 6493 1
296 . 1 1 28 28 VAL HG11 H 1 0.85 . . 1 . . . . 28 VAL HG1 . 6493 1
297 . 1 1 28 28 VAL HG12 H 1 0.85 . . 1 . . . . 28 VAL HG1 . 6493 1
298 . 1 1 28 28 VAL HG13 H 1 0.85 . . 1 . . . . 28 VAL HG1 . 6493 1
299 . 1 1 28 28 VAL HG21 H 1 0.85 . . 1 . . . . 28 VAL HG2 . 6493 1
300 . 1 1 28 28 VAL HG22 H 1 0.85 . . 1 . . . . 28 VAL HG2 . 6493 1
301 . 1 1 28 28 VAL HG23 H 1 0.85 . . 1 . . . . 28 VAL HG2 . 6493 1
302 . 1 1 28 28 VAL CA C 13 62.25 . . 1 . . . . 28 VAL CA . 6493 1
303 . 1 1 28 28 VAL CB C 13 34.75 . . 1 . . . . 28 VAL CB . 6493 1
304 . 1 1 28 28 VAL CG1 C 13 23.2 . . 1 . . . . 28 VAL CG1 . 6493 1
305 . 1 1 28 28 VAL CG2 C 13 23.2 . . 1 . . . . 28 VAL CG2 . 6493 1
306 . 1 1 28 28 VAL N N 15 122.19 . . 1 . . . . 28 VAL N . 6493 1
307 . 1 1 29 29 PRO HA H 1 4.29 . . 1 . . . . 29 PRO HA . 6493 1
308 . 1 1 29 29 PRO HB2 H 1 2.40 . . 2 . . . . 29 PRO HB2 . 6493 1
309 . 1 1 29 29 PRO HB3 H 1 1.78 . . 2 . . . . 29 PRO HB3 . 6493 1
310 . 1 1 29 29 PRO HG2 H 1 2.00 . . 2 . . . . 29 PRO HG2 . 6493 1
311 . 1 1 29 29 PRO HG3 H 1 1.98 . . 2 . . . . 29 PRO HG3 . 6493 1
312 . 1 1 29 29 PRO HD2 H 1 4.00 . . 2 . . . . 29 PRO HD2 . 6493 1
313 . 1 1 29 29 PRO HD3 H 1 3.40 . . 2 . . . . 29 PRO HD3 . 6493 1
314 . 1 1 29 29 PRO C C 13 179.65 . . 1 . . . . 29 PRO C . 6493 1
315 . 1 1 29 29 PRO CA C 13 65.25 . . 1 . . . . 29 PRO CA . 6493 1
316 . 1 1 29 29 PRO CB C 13 34.65 . . 1 . . . . 29 PRO CB . 6493 1
317 . 1 1 29 29 PRO CG C 13 29.75 . . 1 . . . . 29 PRO CG . 6493 1
318 . 1 1 29 29 PRO CD C 13 52.95 . . 1 . . . . 29 PRO CD . 6493 1
319 . 1 1 30 30 LYS H H 1 8.80 . . 1 . . . . 30 LYS H . 6493 1
320 . 1 1 30 30 LYS HA H 1 3.70 . . 1 . . . . 30 LYS HA . 6493 1
321 . 1 1 30 30 LYS HB2 H 1 1.83 . . 2 . . . . 30 LYS HB2 . 6493 1
322 . 1 1 30 30 LYS HB3 H 1 1.71 . . 2 . . . . 30 LYS HB3 . 6493 1
323 . 1 1 30 30 LYS HG2 H 1 1.32 . . 1 . . . . 30 LYS HG2 . 6493 1
324 . 1 1 30 30 LYS HG3 H 1 1.32 . . 1 . . . . 30 LYS HG3 . 6493 1
325 . 1 1 30 30 LYS HD2 H 1 1.63 . . 1 . . . . 30 LYS HD2 . 6493 1
326 . 1 1 30 30 LYS HD3 H 1 1.63 . . 1 . . . . 30 LYS HD3 . 6493 1
327 . 1 1 30 30 LYS HE2 H 1 2.96 . . 1 . . . . 30 LYS HE2 . 6493 1
328 . 1 1 30 30 LYS HE3 H 1 2.96 . . 1 . . . . 30 LYS HE3 . 6493 1
329 . 1 1 30 30 LYS C C 13 179.15 . . 1 . . . . 30 LYS C . 6493 1
330 . 1 1 30 30 LYS CA C 13 62.65 . . 1 . . . . 30 LYS CA . 6493 1
331 . 1 1 30 30 LYS CB C 13 34.65 . . 1 . . . . 30 LYS CB . 6493 1
332 . 1 1 30 30 LYS CG C 13 26.85 . . 1 . . . . 30 LYS CG . 6493 1
333 . 1 1 30 30 LYS CD C 13 31.45 . . 1 . . . . 30 LYS CD . 6493 1
334 . 1 1 30 30 LYS CE C 13 44.45 . . 1 . . . . 30 LYS CE . 6493 1
335 . 1 1 30 30 LYS N N 15 125.15 . . 1 . . . . 30 LYS N . 6493 1
336 . 1 1 31 31 GLU H H 1 9.37 . . 1 . . . . 31 GLU H . 6493 1
337 . 1 1 31 31 GLU HA H 1 4.05 . . 1 . . . . 31 GLU HA . 6493 1
338 . 1 1 31 31 GLU HB2 H 1 1.94 . . 1 . . . . 31 GLU HB2 . 6493 1
339 . 1 1 31 31 GLU HB3 H 1 1.94 . . 1 . . . . 31 GLU HB3 . 6493 1
340 . 1 1 31 31 GLU HG2 H 1 2.24 . . 1 . . . . 31 GLU HG2 . 6493 1
341 . 1 1 31 31 GLU HG3 H 1 2.24 . . 1 . . . . 31 GLU HG3 . 6493 1
342 . 1 1 31 31 GLU C C 13 180.45 . . 1 . . . . 31 GLU C . 6493 1
343 . 1 1 31 31 GLU CA C 13 61.65 . . 1 . . . . 31 GLU CA . 6493 1
344 . 1 1 31 31 GLU CB C 13 30.25 . . 1 . . . . 31 GLU CB . 6493 1
345 . 1 1 31 31 GLU CG C 13 38.45 . . 1 . . . . 31 GLU CG . 6493 1
346 . 1 1 31 31 GLU N N 15 117.25 . . 1 . . . . 31 GLU N . 6493 1
347 . 1 1 32 32 LYS H H 1 7.06 . . 1 . . . . 32 LYS H . 6493 1
348 . 1 1 32 32 LYS HA H 1 4.20 . . 1 . . . . 32 LYS HA . 6493 1
349 . 1 1 32 32 LYS HB2 H 1 1.78 . . 1 . . . . 32 LYS HB2 . 6493 1
350 . 1 1 32 32 LYS HB3 H 1 1.78 . . 1 . . . . 32 LYS HB3 . 6493 1
351 . 1 1 32 32 LYS HG2 H 1 1.39 . . 2 . . . . 32 LYS HG2 . 6493 1
352 . 1 1 32 32 LYS HG3 H 1 1.24 . . 2 . . . . 32 LYS HG3 . 6493 1
353 . 1 1 32 32 LYS HD2 H 1 1.57 . . 1 . . . . 32 LYS HD2 . 6493 1
354 . 1 1 32 32 LYS HD3 H 1 1.57 . . 1 . . . . 32 LYS HD3 . 6493 1
355 . 1 1 32 32 LYS HE2 H 1 2.86 . . 2 . . . . 32 LYS HE2 . 6493 1
356 . 1 1 32 32 LYS HE3 H 1 2.80 . . 2 . . . . 32 LYS HE3 . 6493 1
357 . 1 1 32 32 LYS C C 13 179.25 . . 1 . . . . 32 LYS C . 6493 1
358 . 1 1 32 32 LYS CA C 13 60.05 . . 1 . . . . 32 LYS CA . 6493 1
359 . 1 1 32 32 LYS CB C 13 34.45 . . 1 . . . . 32 LYS CB . 6493 1
360 . 1 1 32 32 LYS CG C 13 27.25 . . 1 . . . . 32 LYS CG . 6493 1
361 . 1 1 32 32 LYS CD C 13 31.15 . . 1 . . . . 32 LYS CD . 6493 1
362 . 1 1 32 32 LYS CE C 13 43.95 . . 1 . . . . 32 LYS CE . 6493 1
363 . 1 1 32 32 LYS N N 15 120.35 . . 1 . . . . 32 LYS N . 6493 1
364 . 1 1 33 33 LEU H H 1 8.10 . . 1 . . . . 33 LEU H . 6493 1
365 . 1 1 33 33 LEU HA H 1 3.87 . . 1 . . . . 33 LEU HA . 6493 1
366 . 1 1 33 33 LEU HB2 H 1 1.69 . . 2 . . . . 33 LEU HB2 . 6493 1
367 . 1 1 33 33 LEU HB3 H 1 1.53 . . 2 . . . . 33 LEU HB3 . 6493 1
368 . 1 1 33 33 LEU HG H 1 1.45 . . 1 . . . . 33 LEU HG . 6493 1
369 . 1 1 33 33 LEU HD11 H 1 0.86 . . 2 . . . . 33 LEU HD1 . 6493 1
370 . 1 1 33 33 LEU HD12 H 1 0.86 . . 2 . . . . 33 LEU HD1 . 6493 1
371 . 1 1 33 33 LEU HD13 H 1 0.86 . . 2 . . . . 33 LEU HD1 . 6493 1
372 . 1 1 33 33 LEU HD21 H 1 0.84 . . 2 . . . . 33 LEU HD2 . 6493 1
373 . 1 1 33 33 LEU HD22 H 1 0.84 . . 2 . . . . 33 LEU HD2 . 6493 1
374 . 1 1 33 33 LEU HD23 H 1 0.84 . . 2 . . . . 33 LEU HD2 . 6493 1
375 . 1 1 33 33 LEU C C 13 179.65 . . 1 . . . . 33 LEU C . 6493 1
376 . 1 1 33 33 LEU CA C 13 60.35 . . 1 . . . . 33 LEU CA . 6493 1
377 . 1 1 33 33 LEU CB C 13 44.35 . . 1 . . . . 33 LEU CB . 6493 1
378 . 1 1 33 33 LEU CG C 13 28.75 . . 1 . . . . 33 LEU CG . 6493 1
379 . 1 1 33 33 LEU CD1 C 13 27.1 . . 1 . . . . 33 LEU CD1 . 6493 1
380 . 1 1 33 33 LEU CD2 C 13 27.1 . . 1 . . . . 33 LEU CD2 . 6493 1
381 . 1 1 33 33 LEU N N 15 120.05 . . 1 . . . . 33 LEU N . 6493 1
382 . 1 1 34 34 GLN H H 1 8.52 . . 1 . . . . 34 GLN H . 6493 1
383 . 1 1 34 34 GLN HA H 1 3.51 . . 1 . . . . 34 GLN HA . 6493 1
384 . 1 1 34 34 GLN HB2 H 1 2.07 . . 2 . . . . 34 GLN HB2 . 6493 1
385 . 1 1 34 34 GLN HB3 H 1 2.00 . . 2 . . . . 34 GLN HB3 . 6493 1
386 . 1 1 34 34 GLN HG2 H 1 2.16 . . 1 . . . . 34 GLN HG2 . 6493 1
387 . 1 1 34 34 GLN HG3 H 1 2.16 . . 1 . . . . 34 GLN HG3 . 6493 1
388 . 1 1 34 34 GLN HE21 H 1 7.30 . . 2 . . . . 34 GLN HE21 . 6493 1
389 . 1 1 34 34 GLN HE22 H 1 6.78 . . 2 . . . . 34 GLN HE22 . 6493 1
390 . 1 1 34 34 GLN C C 13 178.45 . . 1 . . . . 34 GLN C . 6493 1
391 . 1 1 34 34 GLN CA C 13 62.55 . . 1 . . . . 34 GLN CA . 6493 1
392 . 1 1 34 34 GLN CB C 13 30.65 . . 1 . . . . 34 GLN CB . 6493 1
393 . 1 1 34 34 GLN CG C 13 36.25 . . 1 . . . . 34 GLN CG . 6493 1
394 . 1 1 34 34 GLN N N 15 117.05 . . 1 . . . . 34 GLN N . 6493 1
395 . 1 1 34 34 GLN NE2 N 15 110.40 . . 1 . . . . 34 GLN NE2 . 6493 1
396 . 1 1 35 35 ALA H H 1 7.39 . . 1 . . . . 35 ALA H . 6493 1
397 . 1 1 35 35 ALA HA H 1 4.10 . . 1 . . . . 35 ALA HA . 6493 1
398 . 1 1 35 35 ALA HB1 H 1 1.44 . . 1 . . . . 35 ALA HB . 6493 1
399 . 1 1 35 35 ALA HB2 H 1 1.44 . . 1 . . . . 35 ALA HB . 6493 1
400 . 1 1 35 35 ALA HB3 H 1 1.44 . . 1 . . . . 35 ALA HB . 6493 1
401 . 1 1 35 35 ALA C C 13 182.85 . . 1 . . . . 35 ALA C . 6493 1
402 . 1 1 35 35 ALA CA C 13 57.15 . . 1 . . . . 35 ALA CA . 6493 1
403 . 1 1 35 35 ALA CB C 13 20.45 . . 1 . . . . 35 ALA CB . 6493 1
404 . 1 1 35 35 ALA N N 15 120.35 . . 1 . . . . 35 ALA N . 6493 1
405 . 1 1 36 36 LEU H H 1 8.44 . . 1 . . . . 36 LEU H . 6493 1
406 . 1 1 36 36 LEU HA H 1 4.14 . . 1 . . . . 36 LEU HA . 6493 1
407 . 1 1 36 36 LEU HB2 H 1 2.04 . . 2 . . . . 36 LEU HB2 . 6493 1
408 . 1 1 36 36 LEU HB3 H 1 1.61 . . 2 . . . . 36 LEU HB3 . 6493 1
409 . 1 1 36 36 LEU HG H 1 1.82 . . 1 . . . . 36 LEU HG . 6493 1
410 . 1 1 36 36 LEU HD11 H 1 0.68 . . 2 . . . . 36 LEU HD1 . 6493 1
411 . 1 1 36 36 LEU HD12 H 1 0.68 . . 2 . . . . 36 LEU HD1 . 6493 1
412 . 1 1 36 36 LEU HD13 H 1 0.68 . . 2 . . . . 36 LEU HD1 . 6493 1
413 . 1 1 36 36 LEU HD21 H 1 0.79 . . 2 . . . . 36 LEU HD2 . 6493 1
414 . 1 1 36 36 LEU HD22 H 1 0.79 . . 2 . . . . 36 LEU HD2 . 6493 1
415 . 1 1 36 36 LEU HD23 H 1 0.79 . . 2 . . . . 36 LEU HD2 . 6493 1
416 . 1 1 36 36 LEU C C 13 181.85 . . 1 . . . . 36 LEU C . 6493 1
417 . 1 1 36 36 LEU CA C 13 59.75 . . 1 . . . . 36 LEU CA . 6493 1
418 . 1 1 36 36 LEU CB C 13 44.45 . . 1 . . . . 36 LEU CB . 6493 1
419 . 1 1 36 36 LEU CG C 13 28.55 . . 1 . . . . 36 LEU CG . 6493 1
420 . 1 1 36 36 LEU CD1 C 13 27.5 . . 2 . . . . 36 LEU CD1 . 6493 1
421 . 1 1 36 36 LEU CD2 C 13 24.5 . . 2 . . . . 36 LEU CD2 . 6493 1
422 . 1 1 36 36 LEU N N 15 120.15 . . 1 . . . . 36 LEU N . 6493 1
423 . 1 1 37 37 LEU H H 1 8.53 . . 1 . . . . 37 LEU H . 6493 1
424 . 1 1 37 37 LEU HA H 1 3.79 . . 1 . . . . 37 LEU HA . 6493 1
425 . 1 1 37 37 LEU HB2 H 1 1.73 . . 2 . . . . 37 LEU HB2 . 6493 1
426 . 1 1 37 37 LEU HB3 H 1 0.85 . . 2 . . . . 37 LEU HB3 . 6493 1
427 . 1 1 37 37 LEU HG H 1 1.60 . . 1 . . . . 37 LEU HG . 6493 1
428 . 1 1 37 37 LEU HD11 H 1 0.35 . . 2 . . . . 37 LEU HD1 . 6493 1
429 . 1 1 37 37 LEU HD12 H 1 0.35 . . 2 . . . . 37 LEU HD1 . 6493 1
430 . 1 1 37 37 LEU HD13 H 1 0.35 . . 2 . . . . 37 LEU HD1 . 6493 1
431 . 1 1 37 37 LEU HD21 H 1 0.15 . . 2 . . . . 37 LEU HD2 . 6493 1
432 . 1 1 37 37 LEU HD22 H 1 0.15 . . 2 . . . . 37 LEU HD2 . 6493 1
433 . 1 1 37 37 LEU HD23 H 1 0.15 . . 2 . . . . 37 LEU HD2 . 6493 1
434 . 1 1 37 37 LEU C C 13 180.35 . . 1 . . . . 37 LEU C . 6493 1
435 . 1 1 37 37 LEU CA C 13 59.55 . . 1 . . . . 37 LEU CA . 6493 1
436 . 1 1 37 37 LEU CB C 13 43.75 . . 1 . . . . 37 LEU CB . 6493 1
437 . 1 1 37 37 LEU CG C 13 28.45 . . 1 . . . . 37 LEU CG . 6493 1
438 . 1 1 37 37 LEU CD1 C 13 27.7 . . 2 . . . . 37 LEU CD1 . 6493 1
439 . 1 1 37 37 LEU CD2 C 13 23.9 . . 2 . . . . 37 LEU CD2 . 6493 1
440 . 1 1 37 37 LEU N N 15 119.55 . . 1 . . . . 37 LEU N . 6493 1
441 . 1 1 38 38 TYR H H 1 8.36 . . 1 . . . . 38 TYR H . 6493 1
442 . 1 1 38 38 TYR HA H 1 3.53 . . 1 . . . . 38 TYR HA . 6493 1
443 . 1 1 38 38 TYR HB2 H 1 2.98 . . 1 . . . . 38 TYR HB2 . 6493 1
444 . 1 1 38 38 TYR HB3 H 1 2.98 . . 1 . . . . 38 TYR HB3 . 6493 1
445 . 1 1 38 38 TYR HD1 H 1 6.83 . . 1 . . . . 38 TYR HD1 . 6493 1
446 . 1 1 38 38 TYR HD2 H 1 6.83 . . 1 . . . . 38 TYR HD2 . 6493 1
447 . 1 1 38 38 TYR HE1 H 1 6.63 . . 1 . . . . 38 TYR HE1 . 6493 1
448 . 1 1 38 38 TYR HE2 H 1 6.63 . . 1 . . . . 38 TYR HE2 . 6493 1
449 . 1 1 38 38 TYR C C 13 179.75 . . 1 . . . . 38 TYR C . 6493 1
450 . 1 1 38 38 TYR CA C 13 64.65 . . 1 . . . . 38 TYR CA . 6493 1
451 . 1 1 38 38 TYR CB C 13 40.15 . . 1 . . . . 38 TYR CB . 6493 1
452 . 1 1 38 38 TYR CD1 C 13 129.6 . . 1 . . . . 38 TYR CD1 . 6493 1
453 . 1 1 38 38 TYR CD2 C 13 129.6 . . 1 . . . . 38 TYR CD2 . 6493 1
454 . 1 1 38 38 TYR CE1 C 13 115.5 . . 1 . . . . 38 TYR CE1 . 6493 1
455 . 1 1 38 38 TYR CE2 C 13 115.5 . . 1 . . . . 38 TYR CE2 . 6493 1
456 . 1 1 38 38 TYR N N 15 120.35 . . 1 . . . . 38 TYR N . 6493 1
457 . 1 1 39 39 ALA H H 1 7.76 . . 1 . . . . 39 ALA H . 6493 1
458 . 1 1 39 39 ALA HA H 1 3.91 . . 1 . . . . 39 ALA HA . 6493 1
459 . 1 1 39 39 ALA HB1 H 1 1.47 . . 1 . . . . 39 ALA HB . 6493 1
460 . 1 1 39 39 ALA HB2 H 1 1.47 . . 1 . . . . 39 ALA HB . 6493 1
461 . 1 1 39 39 ALA HB3 H 1 1.47 . . 1 . . . . 39 ALA HB . 6493 1
462 . 1 1 39 39 ALA C C 13 181.25 . . 1 . . . . 39 ALA C . 6493 1
463 . 1 1 39 39 ALA CA C 13 57.05 . . 1 . . . . 39 ALA CA . 6493 1
464 . 1 1 39 39 ALA CB C 13 20.15 . . 1 . . . . 39 ALA CB . 6493 1
465 . 1 1 39 39 ALA N N 15 121.85 . . 1 . . . . 39 ALA N . 6493 1
466 . 1 1 40 40 LEU H H 1 7.45 . . 1 . . . . 40 LEU H . 6493 1
467 . 1 1 40 40 LEU HA H 1 3.89 . . 1 . . . . 40 LEU HA . 6493 1
468 . 1 1 40 40 LEU HB2 H 1 1.41 . . 2 . . . . 40 LEU HB2 . 6493 1
469 . 1 1 40 40 LEU HB3 H 1 0.99 . . 2 . . . . 40 LEU HB3 . 6493 1
470 . 1 1 40 40 LEU HG H 1 1.16 . . 1 . . . . 40 LEU HG . 6493 1
471 . 1 1 40 40 LEU HD11 H 1 0.32 . . 2 . . . . 40 LEU HD1 . 6493 1
472 . 1 1 40 40 LEU HD12 H 1 0.32 . . 2 . . . . 40 LEU HD1 . 6493 1
473 . 1 1 40 40 LEU HD13 H 1 0.32 . . 2 . . . . 40 LEU HD1 . 6493 1
474 . 1 1 40 40 LEU HD21 H 1 0.31 . . 2 . . . . 40 LEU HD2 . 6493 1
475 . 1 1 40 40 LEU HD22 H 1 0.31 . . 2 . . . . 40 LEU HD2 . 6493 1
476 . 1 1 40 40 LEU HD23 H 1 0.31 . . 2 . . . . 40 LEU HD2 . 6493 1
477 . 1 1 40 40 LEU C C 13 180.35 . . 1 . . . . 40 LEU C . 6493 1
478 . 1 1 40 40 LEU CA C 13 59.35 . . 1 . . . . 40 LEU CA . 6493 1
479 . 1 1 40 40 LEU CB C 13 44.55 . . 1 . . . . 40 LEU CB . 6493 1
480 . 1 1 40 40 LEU CG C 13 27.75 . . 1 . . . . 40 LEU CG . 6493 1
481 . 1 1 40 40 LEU CD1 C 13 26.7 . . 2 . . . . 40 LEU CD1 . 6493 1
482 . 1 1 40 40 LEU CD2 C 13 25.7 . . 2 . . . . 40 LEU CD2 . 6493 1
483 . 1 1 40 40 LEU N N 15 117.35 . . 1 . . . . 40 LEU N . 6493 1
484 . 1 1 41 41 ALA H H 1 8.34 . . 1 . . . . 41 ALA H . 6493 1
485 . 1 1 41 41 ALA HA H 1 3.91 . . 1 . . . . 41 ALA HA . 6493 1
486 . 1 1 41 41 ALA HB1 H 1 0.74 . . 1 . . . . 41 ALA HB . 6493 1
487 . 1 1 41 41 ALA HB2 H 1 0.74 . . 1 . . . . 41 ALA HB . 6493 1
488 . 1 1 41 41 ALA HB3 H 1 0.74 . . 1 . . . . 41 ALA HB . 6493 1
489 . 1 1 41 41 ALA C C 13 180.45 . . 1 . . . . 41 ALA C . 6493 1
490 . 1 1 41 41 ALA CA C 13 56.95 . . 1 . . . . 41 ALA CA . 6493 1
491 . 1 1 41 41 ALA CB C 13 20.75 . . 1 . . . . 41 ALA CB . 6493 1
492 . 1 1 41 41 ALA N N 15 120.45 . . 1 . . . . 41 ALA N . 6493 1
493 . 1 1 42 42 SER H H 1 8.18 . . 1 . . . . 42 SER H . 6493 1
494 . 1 1 42 42 SER HA H 1 4.40 . . 1 . . . . 42 SER HA . 6493 1
495 . 1 1 42 42 SER HB2 H 1 3.76 . . 2 . . . . 42 SER HB2 . 6493 1
496 . 1 1 42 42 SER HB3 H 1 3.33 . . 2 . . . . 42 SER HB3 . 6493 1
497 . 1 1 42 42 SER C C 13 177.05 . . 1 . . . . 42 SER C . 6493 1
498 . 1 1 42 42 SER CA C 13 62.75 . . 1 . . . . 42 SER CA . 6493 1
499 . 1 1 42 42 SER CB C 13 64.45 . . 1 . . . . 42 SER CB . 6493 1
500 . 1 1 42 42 SER N N 15 112.55 . . 1 . . . . 42 SER N . 6493 1
501 . 1 1 43 43 SER H H 1 7.31 . . 1 . . . . 43 SER H . 6493 1
502 . 1 1 43 43 SER HA H 1 4.25 . . 1 . . . . 43 SER HA . 6493 1
503 . 1 1 43 43 SER HB2 H 1 4.02 . . 1 . . . . 43 SER HB2 . 6493 1
504 . 1 1 43 43 SER HB3 H 1 4.02 . . 1 . . . . 43 SER HB3 . 6493 1
505 . 1 1 43 43 SER C C 13 176.65 . . 1 . . . . 43 SER C . 6493 1
506 . 1 1 43 43 SER CA C 13 62.45 . . 1 . . . . 43 SER CA . 6493 1
507 . 1 1 43 43 SER CB C 13 65.45 . . 1 . . . . 43 SER CB . 6493 1
508 . 1 1 43 43 SER N N 15 116.15 . . 1 . . . . 43 SER N . 6493 1
509 . 1 1 44 44 GLN H H 1 7.98 . . 1 . . . . 44 GLN H . 6493 1
510 . 1 1 44 44 GLN HA H 1 4.40 . . 1 . . . . 44 GLN HA . 6493 1
511 . 1 1 44 44 GLN HB2 H 1 2.45 . . 2 . . . . 44 GLN HB2 . 6493 1
512 . 1 1 44 44 GLN HB3 H 1 1.95 . . 2 . . . . 44 GLN HB3 . 6493 1
513 . 1 1 44 44 GLN HG2 H 1 2.61 . . 2 . . . . 44 GLN HG2 . 6493 1
514 . 1 1 44 44 GLN HG3 H 1 2.18 . . 2 . . . . 44 GLN HG3 . 6493 1
515 . 1 1 44 44 GLN HE21 H 1 7.15 . . 2 . . . . 44 GLN HE21 . 6493 1
516 . 1 1 44 44 GLN HE22 H 1 6.15 . . 2 . . . . 44 GLN HE22 . 6493 1
517 . 1 1 44 44 GLN C C 13 177.25 . . 1 . . . . 44 GLN C . 6493 1
518 . 1 1 44 44 GLN CA C 13 56.65 . . 1 . . . . 44 GLN CA . 6493 1
519 . 1 1 44 44 GLN CB C 13 31.65 . . 1 . . . . 44 GLN CB . 6493 1
520 . 1 1 44 44 GLN CG C 13 35.75 . . 1 . . . . 44 GLN CG . 6493 1
521 . 1 1 44 44 GLN N N 15 118.35 . . 1 . . . . 44 GLN N . 6493 1
522 . 1 1 44 44 GLN NE2 N 15 111.40 . . 1 . . . . 44 GLN NE2 . 6493 1
523 . 1 1 45 45 GLY H H 1 7.44 . . 1 . . . . 45 GLY H . 6493 1
524 . 1 1 45 45 GLY HA2 H 1 4.19 . . 2 . . . . 45 GLY HA2 . 6493 1
525 . 1 1 45 45 GLY HA3 H 1 3.90 . . 2 . . . . 45 GLY HA3 . 6493 1
526 . 1 1 45 45 GLY C C 13 172.05 . . 1 . . . . 45 GLY C . 6493 1
527 . 1 1 45 45 GLY CA C 13 47.15 . . 1 . . . . 45 GLY CA . 6493 1
528 . 1 1 45 45 GLY N N 15 106.55 . . 1 . . . . 45 GLY N . 6493 1
529 . 1 1 46 46 ASP H H 1 8.22 . . 1 . . . . 46 ASP H . 6493 1
530 . 1 1 46 46 ASP HA H 1 4.53 . . 1 . . . . 46 ASP HA . 6493 1
531 . 1 1 46 46 ASP HB2 H 1 2.48 . . 1 . . . . 46 ASP HB2 . 6493 1
532 . 1 1 46 46 ASP HB3 H 1 2.48 . . 1 . . . . 46 ASP HB3 . 6493 1
533 . 1 1 46 46 ASP C C 13 177.25 . . 1 . . . . 46 ASP C . 6493 1
534 . 1 1 46 46 ASP CA C 13 56.95 . . 1 . . . . 46 ASP CA . 6493 1
535 . 1 1 46 46 ASP CB C 13 43.25 . . 1 . . . . 46 ASP CB . 6493 1
536 . 1 1 46 46 ASP N N 15 177.25 . . 1 . . . . 46 ASP N . 6493 1
537 . 1 1 47 47 ILE H H 1 8.40 . . 1 . . . . 47 ILE H . 6493 1
538 . 1 1 47 47 ILE HA H 1 3.87 . . 1 . . . . 47 ILE HA . 6493 1
539 . 1 1 47 47 ILE HB H 1 1.54 . . 1 . . . . 47 ILE HB . 6493 1
540 . 1 1 47 47 ILE HG12 H 1 0.87 . . 4 . . . . 47 ILE HG12 . 6493 1
541 . 1 1 47 47 ILE HG13 H 1 0.47 . . 4 . . . . 47 ILE HG13 . 6493 1
542 . 1 1 47 47 ILE HG21 H 1 0.31 . . 4 . . . . 47 ILE HG2 . 6493 1
543 . 1 1 47 47 ILE HG22 H 1 0.31 . . 4 . . . . 47 ILE HG2 . 6493 1
544 . 1 1 47 47 ILE HG23 H 1 0.31 . . 4 . . . . 47 ILE HG2 . 6493 1
545 . 1 1 47 47 ILE HD11 H 1 -0.08 . . 1 . . . . 47 ILE HD1 . 6493 1
546 . 1 1 47 47 ILE HD12 H 1 -0.08 . . 1 . . . . 47 ILE HD1 . 6493 1
547 . 1 1 47 47 ILE HD13 H 1 -0.08 . . 1 . . . . 47 ILE HD1 . 6493 1
548 . 1 1 47 47 ILE C C 13 177.55 . . 1 . . . . 47 ILE C . 6493 1
549 . 1 1 47 47 ILE CA C 13 61.65 . . 1 . . . . 47 ILE CA . 6493 1
550 . 1 1 47 47 ILE CB C 13 41.45 . . 1 . . . . 47 ILE CB . 6493 1
551 . 1 1 47 47 ILE CG1 C 13 28.8 . . 2 . . . . 47 ILE CG1 . 6493 1
552 . 1 1 47 47 ILE CG2 C 13 20.6 . . 2 . . . . 47 ILE CG2 . 6493 1
553 . 1 1 47 47 ILE CD1 C 13 15.65 . . 1 . . . . 47 ILE CD1 . 6493 1
554 . 1 1 47 47 ILE N N 15 123.25 . . 1 . . . . 47 ILE N . 6493 1
555 . 1 1 48 48 LEU H H 1 8.97 . . 1 . . . . 48 LEU H . 6493 1
556 . 1 1 48 48 LEU HA H 1 4.28 . . 1 . . . . 48 LEU HA . 6493 1
557 . 1 1 48 48 LEU HB2 H 1 1.30 . . 1 . . . . 48 LEU HB2 . 6493 1
558 . 1 1 48 48 LEU HB3 H 1 1.30 . . 1 . . . . 48 LEU HB3 . 6493 1
559 . 1 1 48 48 LEU HG H 1 1.20 . . 1 . . . . 48 LEU HG . 6493 1
560 . 1 1 48 48 LEU HD11 H 1 0.73 . . 2 . . . . 48 LEU HD1 . 6493 1
561 . 1 1 48 48 LEU HD12 H 1 0.73 . . 2 . . . . 48 LEU HD1 . 6493 1
562 . 1 1 48 48 LEU HD13 H 1 0.73 . . 2 . . . . 48 LEU HD1 . 6493 1
563 . 1 1 48 48 LEU HD21 H 1 0.68 . . 2 . . . . 48 LEU HD2 . 6493 1
564 . 1 1 48 48 LEU HD22 H 1 0.68 . . 2 . . . . 48 LEU HD2 . 6493 1
565 . 1 1 48 48 LEU HD23 H 1 0.68 . . 2 . . . . 48 LEU HD2 . 6493 1
566 . 1 1 48 48 LEU C C 13 177.15 . . 1 . . . . 48 LEU C . 6493 1
567 . 1 1 48 48 LEU CA C 13 57.65 . . 1 . . . . 48 LEU CA . 6493 1
568 . 1 1 48 48 LEU CB C 13 43.75 . . 1 . . . . 48 LEU CB . 6493 1
569 . 1 1 48 48 LEU CG C 13 29.35 . . 1 . . . . 48 LEU CG . 6493 1
570 . 1 1 48 48 LEU CD1 C 13 27.5 . . 2 . . . . 48 LEU CD1 . 6493 1
571 . 1 1 48 48 LEU CD2 C 13 24.0 . . 2 . . . . 48 LEU CD2 . 6493 1
572 . 1 1 48 48 LEU N N 15 126.35 . . 1 . . . . 48 LEU N . 6493 1
573 . 1 1 49 49 ASP H H 1 7.31 . . 1 . . . . 49 ASP H . 6493 1
574 . 1 1 49 49 ASP HA H 1 4.64 . . 1 . . . . 49 ASP HA . 6493 1
575 . 1 1 49 49 ASP HB2 H 1 2.45 . . 2 . . . . 49 ASP HB2 . 6493 1
576 . 1 1 49 49 ASP HB3 H 1 2.05 . . 2 . . . . 49 ASP HB3 . 6493 1
577 . 1 1 49 49 ASP C C 13 175.25 . . 1 . . . . 49 ASP C . 6493 1
578 . 1 1 49 49 ASP CA C 13 56.05 . . 1 . . . . 49 ASP CA . 6493 1
579 . 1 1 49 49 ASP CB C 13 45.95 . . 1 . . . . 49 ASP CB . 6493 1
580 . 1 1 49 49 ASP N N 15 116.15 . . 1 . . . . 49 ASP N . 6493 1
581 . 1 1 50 50 ILE H H 1 7.97 . . 1 . . . . 50 ILE H . 6493 1
582 . 1 1 50 50 ILE HA H 1 4.71 . . 1 . . . . 50 ILE HA . 6493 1
583 . 1 1 50 50 ILE HB H 1 1.51 . . 1 . . . . 50 ILE HB . 6493 1
584 . 1 1 50 50 ILE HG12 H 1 1.36 . . 4 . . . . 50 ILE HG12 . 6493 1
585 . 1 1 50 50 ILE HG13 H 1 0.70 . . 4 . . . . 50 ILE HG13 . 6493 1
586 . 1 1 50 50 ILE HG21 H 1 0.59 . . 4 . . . . 50 ILE HG2 . 6493 1
587 . 1 1 50 50 ILE HG22 H 1 0.59 . . 4 . . . . 50 ILE HG2 . 6493 1
588 . 1 1 50 50 ILE HG23 H 1 0.59 . . 4 . . . . 50 ILE HG2 . 6493 1
589 . 1 1 50 50 ILE HD11 H 1 0.53 . . 1 . . . . 50 ILE HD1 . 6493 1
590 . 1 1 50 50 ILE HD12 H 1 0.53 . . 1 . . . . 50 ILE HD1 . 6493 1
591 . 1 1 50 50 ILE HD13 H 1 0.53 . . 1 . . . . 50 ILE HD1 . 6493 1
592 . 1 1 50 50 ILE C C 13 175.15 . . 1 . . . . 50 ILE C . 6493 1
593 . 1 1 50 50 ILE CA C 13 63.25 . . 1 . . . . 50 ILE CA . 6493 1
594 . 1 1 50 50 ILE CB C 13 42.65 . . 1 . . . . 50 ILE CB . 6493 1
595 . 1 1 50 50 ILE CG1 C 13 30.0 . . 2 . . . . 50 ILE CG1 . 6493 1
596 . 1 1 50 50 ILE CG2 C 13 17.8 . . 2 . . . . 50 ILE CG2 . 6493 1
597 . 1 1 50 50 ILE CD1 C 13 15.65 . . 1 . . . . 50 ILE CD1 . 6493 1
598 . 1 1 50 50 ILE N N 15 120.85 . . 1 . . . . 50 ILE N . 6493 1
599 . 1 1 51 51 VAL H H 1 8.88 . . 1 . . . . 51 VAL H . 6493 1
600 . 1 1 51 51 VAL HA H 1 4.22 . . 1 . . . . 51 VAL HA . 6493 1
601 . 1 1 51 51 VAL HB H 1 1.73 . . 1 . . . . 51 VAL HB . 6493 1
602 . 1 1 51 51 VAL HG11 H 1 0.76 . . 2 . . . . 51 VAL HG1 . 6493 1
603 . 1 1 51 51 VAL HG12 H 1 0.76 . . 2 . . . . 51 VAL HG1 . 6493 1
604 . 1 1 51 51 VAL HG13 H 1 0.76 . . 2 . . . . 51 VAL HG1 . 6493 1
605 . 1 1 51 51 VAL HG21 H 1 0.68 . . 2 . . . . 51 VAL HG2 . 6493 1
606 . 1 1 51 51 VAL HG22 H 1 0.68 . . 2 . . . . 51 VAL HG2 . 6493 1
607 . 1 1 51 51 VAL HG23 H 1 0.68 . . 2 . . . . 51 VAL HG2 . 6493 1
608 . 1 1 51 51 VAL C C 13 176.35 . . 1 . . . . 51 VAL C . 6493 1
609 . 1 1 51 51 VAL CA C 13 63.15 . . 1 . . . . 51 VAL CA . 6493 1
610 . 1 1 51 51 VAL CB C 13 37.15 . . 1 . . . . 51 VAL CB . 6493 1
611 . 1 1 51 51 VAL CG1 C 13 23.1 . . 1 . . . . 51 VAL CG1 . 6493 1
612 . 1 1 51 51 VAL CG2 C 13 23.1 . . 1 . . . . 51 VAL CG2 . 6493 1
613 . 1 1 51 51 VAL N N 15 128.45 . . 1 . . . . 51 VAL N . 6493 1
614 . 1 1 52 52 VAL H H 1 8.73 . . 1 . . . . 52 VAL H . 6493 1
615 . 1 1 52 52 VAL HA H 1 4.38 . . 1 . . . . 52 VAL HA . 6493 1
616 . 1 1 52 52 VAL HB H 1 1.91 . . 1 . . . . 52 VAL HB . 6493 1
617 . 1 1 52 52 VAL HG11 H 1 0.80 . . 2 . . . . 52 VAL HG1 . 6493 1
618 . 1 1 52 52 VAL HG12 H 1 0.80 . . 2 . . . . 52 VAL HG1 . 6493 1
619 . 1 1 52 52 VAL HG13 H 1 0.80 . . 2 . . . . 52 VAL HG1 . 6493 1
620 . 1 1 52 52 VAL HG21 H 1 0.73 . . 2 . . . . 52 VAL HG2 . 6493 1
621 . 1 1 52 52 VAL HG22 H 1 0.73 . . 2 . . . . 52 VAL HG2 . 6493 1
622 . 1 1 52 52 VAL HG23 H 1 0.73 . . 2 . . . . 52 VAL HG2 . 6493 1
623 . 1 1 52 52 VAL C C 13 175.55 . . 1 . . . . 52 VAL C . 6493 1
624 . 1 1 52 52 VAL CA C 13 63.25 . . 1 . . . . 52 VAL CA . 6493 1
625 . 1 1 52 52 VAL CB C 13 35.25 . . 1 . . . . 52 VAL CB . 6493 1
626 . 1 1 52 52 VAL CG1 C 13 23.0 . . 1 . . . . 52 VAL CG1 . 6493 1
627 . 1 1 52 52 VAL CG2 C 13 23.0 . . 1 . . . . 52 VAL CG2 . 6493 1
628 . 1 1 52 52 VAL N N 15 125.65 . . 1 . . . . 52 VAL N . 6493 1
629 . 1 1 53 53 ASP H H 1 8.90 . . 1 . . . . 53 ASP H . 6493 1
630 . 1 1 53 53 ASP HA H 1 4.80 . . 1 . . . . 53 ASP HA . 6493 1
631 . 1 1 53 53 ASP HB2 H 1 2.75 . . 2 . . . . 53 ASP HB2 . 6493 1
632 . 1 1 53 53 ASP HB3 H 1 2.40 . . 2 . . . . 53 ASP HB3 . 6493 1
633 . 1 1 53 53 ASP C C 13 177.15 . . 1 . . . . 53 ASP C . 6493 1
634 . 1 1 53 53 ASP CA C 13 55.35 . . 1 . . . . 53 ASP CA . 6493 1
635 . 1 1 53 53 ASP CB C 13 44.65 . . 1 . . . . 53 ASP CB . 6493 1
636 . 1 1 53 53 ASP N N 15 126.65 . . 1 . . . . 53 ASP N . 6493 1
637 . 1 1 54 54 LEU H H 1 8.83 . . 1 . . . . 54 LEU H . 6493 1
638 . 1 1 54 54 LEU HA H 1 4.70 . . 1 . . . . 54 LEU HA . 6493 1
639 . 1 1 54 54 LEU HB2 H 1 1.76 . . 2 . . . . 54 LEU HB2 . 6493 1
640 . 1 1 54 54 LEU HB3 H 1 1.52 . . 2 . . . . 54 LEU HB3 . 6493 1
641 . 1 1 54 54 LEU HG H 1 1.47 . . 1 . . . . 54 LEU HG . 6493 1
642 . 1 1 54 54 LEU HD11 H 1 0.86 . . 2 . . . . 54 LEU HD1 . 6493 1
643 . 1 1 54 54 LEU HD12 H 1 0.86 . . 2 . . . . 54 LEU HD1 . 6493 1
644 . 1 1 54 54 LEU HD13 H 1 0.86 . . 2 . . . . 54 LEU HD1 . 6493 1
645 . 1 1 54 54 LEU HD21 H 1 0.73 . . 2 . . . . 54 LEU HD2 . 6493 1
646 . 1 1 54 54 LEU HD22 H 1 0.73 . . 2 . . . . 54 LEU HD2 . 6493 1
647 . 1 1 54 54 LEU HD23 H 1 0.73 . . 2 . . . . 54 LEU HD2 . 6493 1
648 . 1 1 54 54 LEU C C 13 178.25 . . 1 . . . . 54 LEU C . 6493 1
649 . 1 1 54 54 LEU CA C 13 55.75 . . 1 . . . . 54 LEU CA . 6493 1
650 . 1 1 54 54 LEU CB C 13 43.05 . . 1 . . . . 54 LEU CB . 6493 1
651 . 1 1 54 54 LEU CG C 13 29.35 . . 1 . . . . 54 LEU CG . 6493 1
652 . 1 1 54 54 LEU CD1 C 13 27.5 . . 1 . . . . 54 LEU CD1 . 6493 1
653 . 1 1 54 54 LEU CD2 C 13 24.0 . . 1 . . . . 54 LEU CD2 . 6493 1
654 . 1 1 54 54 LEU N N 15 128.15 . . 1 . . . . 54 LEU N . 6493 1
655 . 1 1 55 55 SER H H 1 8.41 . . 1 . . . . 55 SER H . 6493 1
656 . 1 1 55 55 SER HA H 1 4.16 . . 1 . . . . 55 SER HA . 6493 1
657 . 1 1 55 55 SER HB2 H 1 3.84 . . 1 . . . . 55 SER HB2 . 6493 1
658 . 1 1 55 55 SER HB3 H 1 3.84 . . 1 . . . . 55 SER HB3 . 6493 1
659 . 1 1 55 55 SER C C 13 175.95 . . 1 . . . . 55 SER C . 6493 1
660 . 1 1 55 55 SER CA C 13 62.25 . . 1 . . . . 55 SER CA . 6493 1
661 . 1 1 55 55 SER CB C 13 65.85 . . 1 . . . . 55 SER CB . 6493 1
662 . 1 1 55 55 SER N N 15 116.65 . . 1 . . . . 55 SER N . 6493 1
663 . 1 1 56 56 ASP H H 1 8.37 . . 1 . . . . 56 ASP H . 6493 1
664 . 1 1 56 56 ASP HA H 1 4.62 . . 1 . . . . 56 ASP HA . 6493 1
665 . 1 1 56 56 ASP HB2 H 1 2.87 . . 2 . . . . 56 ASP HB2 . 6493 1
666 . 1 1 56 56 ASP HB3 H 1 2.49 . . 2 . . . . 56 ASP HB3 . 6493 1
667 . 1 1 56 56 ASP C C 13 177.45 . . 1 . . . . 56 ASP C . 6493 1
668 . 1 1 56 56 ASP CA C 13 56.15 . . 1 . . . . 56 ASP CA . 6493 1
669 . 1 1 56 56 ASP CB C 13 43.55 . . 1 . . . . 56 ASP CB . 6493 1
670 . 1 1 56 56 ASP N N 15 123.05 . . 1 . . . . 56 ASP N . 6493 1
671 . 1 1 57 57 ASP H H 1 8.27 . . 1 . . . . 57 ASP H . 6493 1
672 . 1 1 57 57 ASP HA H 1 4.29 . . 1 . . . . 57 ASP HA . 6493 1
673 . 1 1 57 57 ASP HB2 H 1 2.56 . . 1 . . . . 57 ASP HB2 . 6493 1
674 . 1 1 57 57 ASP HB3 H 1 2.56 . . 1 . . . . 57 ASP HB3 . 6493 1
675 . 1 1 57 57 ASP C C 13 177.65 . . 1 . . . . 57 ASP C . 6493 1
676 . 1 1 57 57 ASP CA C 13 57.75 . . 1 . . . . 57 ASP CA . 6493 1
677 . 1 1 57 57 ASP CB C 13 42.55 . . 1 . . . . 57 ASP CB . 6493 1
678 . 1 1 57 57 ASP N N 15 121.55 . . 1 . . . . 57 ASP N . 6493 1
679 . 1 1 58 58 ASN H H 1 8.39 . . 1 . . . . 58 ASN H . 6493 1
680 . 1 1 58 58 ASN HA H 1 4.57 . . 1 . . . . 58 ASN HA . 6493 1
681 . 1 1 58 58 ASN HB2 H 1 2.72 . . 2 . . . . 58 ASN HB2 . 6493 1
682 . 1 1 58 58 ASN HB3 H 1 2.67 . . 2 . . . . 58 ASN HB3 . 6493 1
683 . 1 1 58 58 ASN HD21 H 1 7.38 . . 2 . . . . 58 ASN HD21 . 6493 1
684 . 1 1 58 58 ASN HD22 H 1 6.82 . . 2 . . . . 58 ASN HD22 . 6493 1
685 . 1 1 58 58 ASN C C 13 176.55 . . 1 . . . . 58 ASN C . 6493 1
686 . 1 1 58 58 ASN CA C 13 56.35 . . 1 . . . . 58 ASN CA . 6493 1
687 . 1 1 58 58 ASN CB C 13 41.55 . . 1 . . . . 58 ASN CB . 6493 1
688 . 1 1 58 58 ASN N N 15 115.75 . . 1 . . . . 58 ASN N . 6493 1
689 . 1 1 58 58 ASN ND2 N 15 113.50 . . 1 . . . . 58 ASN ND2 . 6493 1
690 . 1 1 59 59 SER H H 1 7.73 . . 1 . . . . 59 SER H . 6493 1
691 . 1 1 59 59 SER HA H 1 4.41 . . 1 . . . . 59 SER HA . 6493 1
692 . 1 1 59 59 SER HB2 H 1 3.72 . . 1 . . . . 59 SER HB2 . 6493 1
693 . 1 1 59 59 SER HB3 H 1 3.72 . . 1 . . . . 59 SER HB3 . 6493 1
694 . 1 1 59 59 SER C C 13 175.45 . . 1 . . . . 59 SER C . 6493 1
695 . 1 1 59 59 SER CA C 13 60.05 . . 1 . . . . 59 SER CA . 6493 1
696 . 1 1 59 59 SER CB C 13 65.95 . . 1 . . . . 59 SER CB . 6493 1
697 . 1 1 59 59 SER N N 15 113.25 . . 1 . . . . 59 SER N . 6493 1
698 . 1 1 60 60 GLY H H 1 9.04 . . 1 . . . . 60 GLY H . 6493 1
699 . 1 1 60 60 GLY HA2 H 1 4.29 . . 2 . . . . 60 GLY HA2 . 6493 1
700 . 1 1 60 60 GLY HA3 H 1 3.42 . . 2 . . . . 60 GLY HA3 . 6493 1
701 . 1 1 60 60 GLY C C 13 173.75 . . 1 . . . . 60 GLY C . 6493 1
702 . 1 1 60 60 GLY CA C 13 47.85 . . 1 . . . . 60 GLY CA . 6493 1
703 . 1 1 60 60 GLY N N 15 113.15 . . 1 . . . . 60 GLY N . 6493 1
704 . 1 1 61 61 LYS H H 1 8.02 . . 1 . . . . 61 LYS H . 6493 1
705 . 1 1 61 61 LYS HA H 1 5.24 . . 1 . . . . 61 LYS HA . 6493 1
706 . 1 1 61 61 LYS HB2 H 1 1.65 . . 2 . . . . 61 LYS HB2 . 6493 1
707 . 1 1 61 61 LYS HB3 H 1 1.55 . . 2 . . . . 61 LYS HB3 . 6493 1
708 . 1 1 61 61 LYS HG2 H 1 1.29 . . 2 . . . . 61 LYS HG2 . 6493 1
709 . 1 1 61 61 LYS HG3 H 1 1.25 . . 2 . . . . 61 LYS HG3 . 6493 1
710 . 1 1 61 61 LYS HD2 H 1 1.52 . . 1 . . . . 61 LYS HD2 . 6493 1
711 . 1 1 61 61 LYS HD3 H 1 1.52 . . 1 . . . . 61 LYS HD3 . 6493 1
712 . 1 1 61 61 LYS HE2 H 1 2.87 . . 1 . . . . 61 LYS HE2 . 6493 1
713 . 1 1 61 61 LYS HE3 H 1 2.87 . . 1 . . . . 61 LYS HE3 . 6493 1
714 . 1 1 61 61 LYS C C 13 175.55 . . 1 . . . . 61 LYS C . 6493 1
715 . 1 1 61 61 LYS CA C 13 56.85 . . 1 . . . . 61 LYS CA . 6493 1
716 . 1 1 61 61 LYS CB C 13 38.75 . . 1 . . . . 61 LYS CB . 6493 1
717 . 1 1 61 61 LYS CG C 13 26.55 . . 1 . . . . 61 LYS CG . 6493 1
718 . 1 1 61 61 LYS CD C 13 31.55 . . 1 . . . . 61 LYS CD . 6493 1
719 . 1 1 61 61 LYS CE C 13 43.95 . . 1 . . . . 61 LYS CE . 6493 1
720 . 1 1 61 61 LYS N N 15 119.35 . . 1 . . . . 61 LYS N . 6493 1
721 . 1 1 62 62 ALA H H 1 8.81 . . 1 . . . . 62 ALA H . 6493 1
722 . 1 1 62 62 ALA HA H 1 5.10 . . 1 . . . . 62 ALA HA . 6493 1
723 . 1 1 62 62 ALA HB1 H 1 0.90 . . 1 . . . . 62 ALA HB . 6493 1
724 . 1 1 62 62 ALA HB2 H 1 0.90 . . 1 . . . . 62 ALA HB . 6493 1
725 . 1 1 62 62 ALA HB3 H 1 0.90 . . 1 . . . . 62 ALA HB . 6493 1
726 . 1 1 62 62 ALA C C 13 175.65 . . 1 . . . . 62 ALA C . 6493 1
727 . 1 1 62 62 ALA CA C 13 52.55 . . 1 . . . . 62 ALA CA . 6493 1
728 . 1 1 62 62 ALA CB C 13 25.05 . . 1 . . . . 62 ALA CB . 6493 1
729 . 1 1 62 62 ALA N N 15 121.05 . . 1 . . . . 62 ALA N . 6493 1
730 . 1 1 63 63 TYR H H 1 9.02 . . 1 . . . . 63 TYR H . 6493 1
731 . 1 1 63 63 TYR HA H 1 5.54 . . 1 . . . . 63 TYR HA . 6493 1
732 . 1 1 63 63 TYR HB2 H 1 2.60 . . 2 . . . . 63 TYR HB2 . 6493 1
733 . 1 1 63 63 TYR HB3 H 1 2.49 . . 2 . . . . 63 TYR HB3 . 6493 1
734 . 1 1 63 63 TYR HD1 H 1 6.75 . . 1 . . . . 63 TYR HD1 . 6493 1
735 . 1 1 63 63 TYR HD2 H 1 6.75 . . 1 . . . . 63 TYR HD2 . 6493 1
736 . 1 1 63 63 TYR HE1 H 1 6.64 . . 1 . . . . 63 TYR HE1 . 6493 1
737 . 1 1 63 63 TYR HE2 H 1 6.64 . . 1 . . . . 63 TYR HE2 . 6493 1
738 . 1 1 63 63 TYR C C 13 176.95 . . 1 . . . . 63 TYR C . 6493 1
739 . 1 1 63 63 TYR CA C 13 58.05 . . 1 . . . . 63 TYR CA . 6493 1
740 . 1 1 63 63 TYR CB C 13 42.55 . . 1 . . . . 63 TYR CB . 6493 1
741 . 1 1 63 63 TYR CD1 C 13 129.9 . . 1 . . . . 63 TYR CD1 . 6493 1
742 . 1 1 63 63 TYR CD2 C 13 129.9 . . 1 . . . . 63 TYR CD2 . 6493 1
743 . 1 1 63 63 TYR CE1 C 13 115.5 . . 1 . . . . 63 TYR CE1 . 6493 1
744 . 1 1 63 63 TYR CE2 C 13 115.5 . . 1 . . . . 63 TYR CE2 . 6493 1
745 . 1 1 63 63 TYR N N 15 118.65 . . 1 . . . . 63 TYR N . 6493 1
746 . 1 1 64 64 ILE H H 1 8.93 . . 1 . . . . 64 ILE H . 6493 1
747 . 1 1 64 64 ILE HA H 1 4.31 . . 1 . . . . 64 ILE HA . 6493 1
748 . 1 1 64 64 ILE HB H 1 1.25 . . 1 . . . . 64 ILE HB . 6493 1
749 . 1 1 64 64 ILE HG12 H 1 1.11 . . 4 . . . . 64 ILE HG12 . 6493 1
750 . 1 1 64 64 ILE HG13 H 1 0.55 . . 4 . . . . 64 ILE HG13 . 6493 1
751 . 1 1 64 64 ILE HG21 H 1 -0.31 . . 4 . . . . 64 ILE HG2 . 6493 1
752 . 1 1 64 64 ILE HG22 H 1 -0.31 . . 4 . . . . 64 ILE HG2 . 6493 1
753 . 1 1 64 64 ILE HG23 H 1 -0.31 . . 4 . . . . 64 ILE HG2 . 6493 1
754 . 1 1 64 64 ILE HD11 H 1 0.13 . . 1 . . . . 64 ILE HD1 . 6493 1
755 . 1 1 64 64 ILE HD12 H 1 0.13 . . 1 . . . . 64 ILE HD1 . 6493 1
756 . 1 1 64 64 ILE HD13 H 1 0.13 . . 1 . . . . 64 ILE HD1 . 6493 1
757 . 1 1 64 64 ILE C C 13 175.25 . . 1 . . . . 64 ILE C . 6493 1
758 . 1 1 64 64 ILE CA C 13 62.65 . . 1 . . . . 64 ILE CA . 6493 1
759 . 1 1 64 64 ILE CB C 13 41.85 . . 1 . . . . 64 ILE CB . 6493 1
760 . 1 1 64 64 ILE CG1 C 13 27.9 . . 2 . . . . 64 ILE CG1 . 6493 1
761 . 1 1 64 64 ILE CG2 C 13 19.8 . . 2 . . . . 64 ILE CG2 . 6493 1
762 . 1 1 64 64 ILE CD1 C 13 15.75 . . 1 . . . . 64 ILE CD1 . 6493 1
763 . 1 1 64 64 ILE N N 15 120.95 . . 1 . . . . 64 ILE N . 6493 1
764 . 1 1 65 65 VAL H H 1 8.38 . . 1 . . . . 65 VAL H . 6493 1
765 . 1 1 65 65 VAL HA H 1 4.34 . . 1 . . . . 65 VAL HA . 6493 1
766 . 1 1 65 65 VAL HB H 1 1.83 . . 1 . . . . 65 VAL HB . 6493 1
767 . 1 1 65 65 VAL HG11 H 1 0.80 . . 1 . . . . 65 VAL HG1 . 6493 1
768 . 1 1 65 65 VAL HG12 H 1 0.80 . . 1 . . . . 65 VAL HG1 . 6493 1
769 . 1 1 65 65 VAL HG13 H 1 0.80 . . 1 . . . . 65 VAL HG1 . 6493 1
770 . 1 1 65 65 VAL HG21 H 1 0.80 . . 1 . . . . 65 VAL HG2 . 6493 1
771 . 1 1 65 65 VAL HG22 H 1 0.80 . . 1 . . . . 65 VAL HG2 . 6493 1
772 . 1 1 65 65 VAL HG23 H 1 0.80 . . 1 . . . . 65 VAL HG2 . 6493 1
773 . 1 1 65 65 VAL C C 13 177.15 . . 1 . . . . 65 VAL C . 6493 1
774 . 1 1 65 65 VAL CA C 13 63.45 . . 1 . . . . 65 VAL CA . 6493 1
775 . 1 1 65 65 VAL CB C 13 33.65 . . 1 . . . . 65 VAL CB . 6493 1
776 . 1 1 65 65 VAL CG1 C 13 23.5 . . 1 . . . . 65 VAL CG1 . 6493 1
777 . 1 1 65 65 VAL CG2 C 13 23.5 . . 1 . . . . 65 VAL CG2 . 6493 1
778 . 1 1 65 65 VAL N N 15 126.55 . . 1 . . . . 65 VAL N . 6493 1
779 . 1 1 66 66 PHE H H 1 9.10 . . 1 . . . . 66 PHE H . 6493 1
780 . 1 1 66 66 PHE HA H 1 4.63 . . 1 . . . . 66 PHE HA . 6493 1
781 . 1 1 66 66 PHE HB2 H 1 3.29 . . 2 . . . . 66 PHE HB2 . 6493 1
782 . 1 1 66 66 PHE HB3 H 1 3.05 . . 2 . . . . 66 PHE HB3 . 6493 1
783 . 1 1 66 66 PHE HD1 H 1 7.01 . . 1 . . . . 66 PHE HD1 . 6493 1
784 . 1 1 66 66 PHE HD2 H 1 7.01 . . 1 . . . . 66 PHE HD2 . 6493 1
785 . 1 1 66 66 PHE HE1 H 1 6.67 . . 1 . . . . 66 PHE HE1 . 6493 1
786 . 1 1 66 66 PHE HE2 H 1 6.67 . . 1 . . . . 66 PHE HE2 . 6493 1
787 . 1 1 66 66 PHE HZ H 1 5.98 . . 1 . . . . 66 PHE HZ . 6493 1
788 . 1 1 66 66 PHE C C 13 177.15 . . 1 . . . . 66 PHE C . 6493 1
789 . 1 1 66 66 PHE CA C 13 60.75 . . 1 . . . . 66 PHE CA . 6493 1
790 . 1 1 66 66 PHE CB C 13 43.65 . . 1 . . . . 66 PHE CB . 6493 1
791 . 1 1 66 66 PHE CD1 C 13 128.9 . . 1 . . . . 66 PHE CD1 . 6493 1
792 . 1 1 66 66 PHE CD2 C 13 128.9 . . 1 . . . . 66 PHE CD2 . 6493 1
793 . 1 1 66 66 PHE CE1 C 13 127.4 . . 1 . . . . 66 PHE CE1 . 6493 1
794 . 1 1 66 66 PHE CE2 C 13 127.4 . . 1 . . . . 66 PHE CE2 . 6493 1
795 . 1 1 66 66 PHE CZ C 13 125.8 . . 1 . . . . 66 PHE CZ . 6493 1
796 . 1 1 66 66 PHE N N 15 127.15 . . 1 . . . . 66 PHE N . 6493 1
797 . 1 1 67 67 ALA H H 1 8.38 . . 1 . . . . 67 ALA H . 6493 1
798 . 1 1 67 67 ALA HA H 1 3.99 . . 1 . . . . 67 ALA HA . 6493 1
799 . 1 1 67 67 ALA HB1 H 1 1.45 . . 1 . . . . 67 ALA HB . 6493 1
800 . 1 1 67 67 ALA HB2 H 1 1.45 . . 1 . . . . 67 ALA HB . 6493 1
801 . 1 1 67 67 ALA HB3 H 1 1.45 . . 1 . . . . 67 ALA HB . 6493 1
802 . 1 1 67 67 ALA C C 13 179.15 . . 1 . . . . 67 ALA C . 6493 1
803 . 1 1 67 67 ALA CA C 13 56.75 . . 1 . . . . 67 ALA CA . 6493 1
804 . 1 1 67 67 ALA CB C 13 20.75 . . 1 . . . . 67 ALA CB . 6493 1
805 . 1 1 67 67 ALA N N 15 120.45 . . 1 . . . . 67 ALA N . 6493 1
806 . 1 1 68 68 THR H H 1 7.73 . . 1 . . . . 68 THR H . 6493 1
807 . 1 1 68 68 THR HA H 1 4.78 . . 1 . . . . 68 THR HA . 6493 1
808 . 1 1 68 68 THR HB H 1 4.62 . . 1 . . . . 68 THR HB . 6493 1
809 . 1 1 68 68 THR HG21 H 1 1.17 . . 1 . . . . 68 THR HG2 . 6493 1
810 . 1 1 68 68 THR HG22 H 1 1.17 . . 1 . . . . 68 THR HG2 . 6493 1
811 . 1 1 68 68 THR HG23 H 1 1.17 . . 1 . . . . 68 THR HG2 . 6493 1
812 . 1 1 68 68 THR C C 13 175.65 . . 1 . . . . 68 THR C . 6493 1
813 . 1 1 68 68 THR CA C 13 60.35 . . 1 . . . . 68 THR CA . 6493 1
814 . 1 1 68 68 THR CB C 13 74.75 . . 1 . . . . 68 THR CB . 6493 1
815 . 1 1 68 68 THR CG2 C 13 23.75 . . 1 . . . . 68 THR CG2 . 6493 1
816 . 1 1 68 68 THR N N 15 103.05 . . 1 . . . . 68 THR N . 6493 1
817 . 1 1 69 69 GLN H H 1 9.08 . . 1 . . . . 69 GLN H . 6493 1
818 . 1 1 69 69 GLN HA H 1 3.83 . . 1 . . . . 69 GLN HA . 6493 1
819 . 1 1 69 69 GLN HB2 H 1 1.96 . . 2 . . . . 69 GLN HB2 . 6493 1
820 . 1 1 69 69 GLN HB3 H 1 1.82 . . 2 . . . . 69 GLN HB3 . 6493 1
821 . 1 1 69 69 GLN HG2 H 1 2.13 . . 1 . . . . 69 GLN HG2 . 6493 1
822 . 1 1 69 69 GLN HG3 H 1 2.13 . . 1 . . . . 69 GLN HG3 . 6493 1
823 . 1 1 69 69 GLN HE21 H 1 7.52 . . 2 . . . . 69 GLN HE21 . 6493 1
824 . 1 1 69 69 GLN HE22 H 1 6.69 . . 2 . . . . 69 GLN HE22 . 6493 1
825 . 1 1 69 69 GLN C C 13 179.05 . . 1 . . . . 69 GLN C . 6493 1
826 . 1 1 69 69 GLN CA C 13 66.65 . . 1 . . . . 69 GLN CA . 6493 1
827 . 1 1 69 69 GLN CB C 13 30.55 . . 1 . . . . 69 GLN CB . 6493 1
828 . 1 1 69 69 GLN CG C 13 35.75 . . 1 . . . . 69 GLN CG . 6493 1
829 . 1 1 69 69 GLN N N 15 122.65 . . 1 . . . . 69 GLN N . 6493 1
830 . 1 1 69 69 GLN NE2 N 15 110.90 . . 1 . . . . 69 GLN NE2 . 6493 1
831 . 1 1 70 70 GLU H H 1 9.03 . . 1 . . . . 70 GLU H . 6493 1
832 . 1 1 70 70 GLU HA H 1 3.92 . . 1 . . . . 70 GLU HA . 6493 1
833 . 1 1 70 70 GLU HB2 H 1 2.01 . . 2 . . . . 70 GLU HB2 . 6493 1
834 . 1 1 70 70 GLU HB3 H 1 1.85 . . 2 . . . . 70 GLU HB3 . 6493 1
835 . 1 1 70 70 GLU HG2 H 1 2.37 . . 2 . . . . 70 GLU HG2 . 6493 1
836 . 1 1 70 70 GLU HG3 H 1 2.20 . . 2 . . . . 70 GLU HG3 . 6493 1
837 . 1 1 70 70 GLU C C 13 181.35 . . 1 . . . . 70 GLU C . 6493 1
838 . 1 1 70 70 GLU CA C 13 63.05 . . 1 . . . . 70 GLU CA . 6493 1
839 . 1 1 70 70 GLU CB C 13 30.75 . . 1 . . . . 70 GLU CB . 6493 1
840 . 1 1 70 70 GLU CG C 13 39.05 . . 1 . . . . 70 GLU CG . 6493 1
841 . 1 1 70 70 GLU N N 15 119.85 . . 1 . . . . 70 GLU N . 6493 1
842 . 1 1 71 71 SER H H 1 7.89 . . 1 . . . . 71 SER H . 6493 1
843 . 1 1 71 71 SER HA H 1 4.03 . . 1 . . . . 71 SER HA . 6493 1
844 . 1 1 71 71 SER HB2 H 1 3.78 . . 2 . . . . 71 SER HB2 . 6493 1
845 . 1 1 71 71 SER HB3 H 1 3.45 . . 2 . . . . 71 SER HB3 . 6493 1
846 . 1 1 71 71 SER C C 13 178.85 . . 1 . . . . 71 SER C . 6493 1
847 . 1 1 71 71 SER CA C 13 64.35 . . 1 . . . . 71 SER CA . 6493 1
848 . 1 1 71 71 SER CB C 13 64.85 . . 1 . . . . 71 SER CB . 6493 1
849 . 1 1 71 71 SER N N 15 117.65 . . 1 . . . . 71 SER N . 6493 1
850 . 1 1 72 72 ALA H H 1 6.79 . . 1 . . . . 72 ALA H . 6493 1
851 . 1 1 72 72 ALA HA H 1 2.82 . . 1 . . . . 72 ALA HA . 6493 1
852 . 1 1 72 72 ALA HB1 H 1 1.44 . . 1 . . . . 72 ALA HB . 6493 1
853 . 1 1 72 72 ALA HB2 H 1 1.44 . . 1 . . . . 72 ALA HB . 6493 1
854 . 1 1 72 72 ALA HB3 H 1 1.44 . . 1 . . . . 72 ALA HB . 6493 1
855 . 1 1 72 72 ALA C C 13 180.35 . . 1 . . . . 72 ALA C . 6493 1
856 . 1 1 72 72 ALA CA C 13 57.05 . . 1 . . . . 72 ALA CA . 6493 1
857 . 1 1 72 72 ALA CB C 13 20.75 . . 1 . . . . 72 ALA CB . 6493 1
858 . 1 1 72 72 ALA N N 15 124.45 . . 1 . . . . 72 ALA N . 6493 1
859 . 1 1 73 73 GLN H H 1 8.37 . . 1 . . . . 73 GLN H . 6493 1
860 . 1 1 73 73 GLN HA H 1 3.97 . . 1 . . . . 73 GLN HA . 6493 1
861 . 1 1 73 73 GLN HB2 H 1 2.16 . . 2 . . . . 73 GLN HB2 . 6493 1
862 . 1 1 73 73 GLN HB3 H 1 2.06 . . 2 . . . . 73 GLN HB3 . 6493 1
863 . 1 1 73 73 GLN HG2 H 1 2.35 . . 1 . . . . 73 GLN HG2 . 6493 1
864 . 1 1 73 73 GLN HG3 H 1 2.35 . . 1 . . . . 73 GLN HG3 . 6493 1
865 . 1 1 73 73 GLN HE21 H 1 7.52 . . 2 . . . . 73 GLN HE21 . 6493 1
866 . 1 1 73 73 GLN HE22 H 1 6.69 . . 2 . . . . 73 GLN HE22 . 6493 1
867 . 1 1 73 73 GLN C C 13 179.45 . . 1 . . . . 73 GLN C . 6493 1
868 . 1 1 73 73 GLN CA C 13 61.25 . . 1 . . . . 73 GLN CA . 6493 1
869 . 1 1 73 73 GLN CB C 13 30.65 . . 1 . . . . 73 GLN CB . 6493 1
870 . 1 1 73 73 GLN CG C 13 35.95 . . 1 . . . . 73 GLN CG . 6493 1
871 . 1 1 73 73 GLN N N 15 116.15 . . 1 . . . . 73 GLN N . 6493 1
872 . 1 1 73 73 GLN NE2 N 15 110.9 . . 1 . . . . 73 GLN NE2 . 6493 1
873 . 1 1 74 74 ALA H H 1 7.75 . . 1 . . . . 74 ALA H . 6493 1
874 . 1 1 74 74 ALA HA H 1 4.00 . . 1 . . . . 74 ALA HA . 6493 1
875 . 1 1 74 74 ALA HB1 H 1 1.47 . . 1 . . . . 74 ALA HB . 6493 1
876 . 1 1 74 74 ALA HB2 H 1 1.47 . . 1 . . . . 74 ALA HB . 6493 1
877 . 1 1 74 74 ALA HB3 H 1 1.47 . . 1 . . . . 74 ALA HB . 6493 1
878 . 1 1 74 74 ALA C C 13 181.55 . . 1 . . . . 74 ALA C . 6493 1
879 . 1 1 74 74 ALA CA C 13 57.05 . . 1 . . . . 74 ALA CA . 6493 1
880 . 1 1 74 74 ALA CB C 13 20.15 . . 1 . . . . 74 ALA CB . 6493 1
881 . 1 1 74 74 ALA N N 15 121.95 . . 1 . . . . 74 ALA N . 6493 1
882 . 1 1 75 75 PHE H H 1 8.05 . . 1 . . . . 75 PHE H . 6493 1
883 . 1 1 75 75 PHE HA H 1 3.99 . . 1 . . . . 75 PHE HA . 6493 1
884 . 1 1 75 75 PHE HB2 H 1 3.05 . . 2 . . . . 75 PHE HB2 . 6493 1
885 . 1 1 75 75 PHE HB3 H 1 2.75 . . 2 . . . . 75 PHE HB3 . 6493 1
886 . 1 1 75 75 PHE HD1 H 1 7.03 . . 1 . . . . 75 PHE HD1 . 6493 1
887 . 1 1 75 75 PHE HD2 H 1 7.03 . . 1 . . . . 75 PHE HD2 . 6493 1
888 . 1 1 75 75 PHE HE1 H 1 6.56 . . 1 . . . . 75 PHE HE1 . 6493 1
889 . 1 1 75 75 PHE HE2 H 1 6.56 . . 1 . . . . 75 PHE HE2 . 6493 1
890 . 1 1 75 75 PHE HZ H 1 6.48 . . 1 . . . . 75 PHE HZ . 6493 1
891 . 1 1 75 75 PHE C C 13 177.25 . . 1 . . . . 75 PHE C . 6493 1
892 . 1 1 75 75 PHE CA C 13 64.25 . . 1 . . . . 75 PHE CA . 6493 1
893 . 1 1 75 75 PHE CB C 13 41.95 . . 1 . . . . 75 PHE CB . 6493 1
894 . 1 1 75 75 PHE CD1 C 13 128.9 . . 1 . . . . 75 PHE CD1 . 6493 1
895 . 1 1 75 75 PHE CD2 C 13 128.9 . . 1 . . . . 75 PHE CD2 . 6493 1
896 . 1 1 75 75 PHE CE1 C 13 128.1 . . 1 . . . . 75 PHE CE1 . 6493 1
897 . 1 1 75 75 PHE CE2 C 13 128.1 . . 1 . . . . 75 PHE CE2 . 6493 1
898 . 1 1 75 75 PHE CZ C 13 125.1 . . 1 . . . . 75 PHE CZ . 6493 1
899 . 1 1 75 75 PHE N N 15 119.45 . . 1 . . . . 75 PHE N . 6493 1
900 . 1 1 76 76 VAL H H 1 8.03 . . 1 . . . . 76 VAL H . 6493 1
901 . 1 1 76 76 VAL HA H 1 3.01 . . 1 . . . . 76 VAL HA . 6493 1
902 . 1 1 76 76 VAL HB H 1 1.92 . . 1 . . . . 76 VAL HB . 6493 1
903 . 1 1 76 76 VAL HG11 H 1 0.51 . . 2 . . . . 76 VAL HG1 . 6493 1
904 . 1 1 76 76 VAL HG12 H 1 0.51 . . 2 . . . . 76 VAL HG1 . 6493 1
905 . 1 1 76 76 VAL HG13 H 1 0.51 . . 2 . . . . 76 VAL HG1 . 6493 1
906 . 1 1 76 76 VAL HG21 H 1 0.55 . . 2 . . . . 76 VAL HG2 . 6493 1
907 . 1 1 76 76 VAL HG22 H 1 0.55 . . 2 . . . . 76 VAL HG2 . 6493 1
908 . 1 1 76 76 VAL HG23 H 1 0.55 . . 2 . . . . 76 VAL HG2 . 6493 1
909 . 1 1 76 76 VAL C C 13 178.75 . . 1 . . . . 76 VAL C . 6493 1
910 . 1 1 76 76 VAL CA C 13 69.25 . . 1 . . . . 76 VAL CA . 6493 1
911 . 1 1 76 76 VAL CB C 13 33.55 . . 1 . . . . 76 VAL CB . 6493 1
912 . 1 1 76 76 VAL CG1 C 13 25.5 . . 2 . . . . 76 VAL CG1 . 6493 1
913 . 1 1 76 76 VAL CG2 C 13 23.4 . . 2 . . . . 76 VAL CG2 . 6493 1
914 . 1 1 76 76 VAL N N 15 119.45 . . 1 . . . . 76 VAL N . 6493 1
915 . 1 1 77 77 GLU H H 1 7.66 . . 1 . . . . 77 GLU H . 6493 1
916 . 1 1 77 77 GLU HA H 1 3.82 . . 1 . . . . 77 GLU HA . 6493 1
917 . 1 1 77 77 GLU HB2 H 1 1.88 . . 1 . . . . 77 GLU HB2 . 6493 1
918 . 1 1 77 77 GLU HB3 H 1 1.88 . . 1 . . . . 77 GLU HB3 . 6493 1
919 . 1 1 77 77 GLU HG2 H 1 2.29 . . 2 . . . . 77 GLU HG2 . 6493 1
920 . 1 1 77 77 GLU HG3 H 1 2.14 . . 2 . . . . 77 GLU HG3 . 6493 1
921 . 1 1 77 77 GLU C C 13 180.05 . . 1 . . . . 77 GLU C . 6493 1
922 . 1 1 77 77 GLU CA C 13 60.85 . . 1 . . . . 77 GLU CA . 6493 1
923 . 1 1 77 77 GLU CB C 13 31.75 . . 1 . . . . 77 GLU CB . 6493 1
924 . 1 1 77 77 GLU CG C 13 38.55 . . 1 . . . . 77 GLU CG . 6493 1
925 . 1 1 77 77 GLU N N 15 115.45 . . 1 . . . . 77 GLU N . 6493 1
926 . 1 1 78 78 ALA H H 1 7.75 . . 1 . . . . 78 ALA H . 6493 1
927 . 1 1 78 78 ALA HA H 1 3.84 . . 1 . . . . 78 ALA HA . 6493 1
928 . 1 1 78 78 ALA HB1 H 1 0.71 . . 1 . . . . 78 ALA HB . 6493 1
929 . 1 1 78 78 ALA HB2 H 1 0.71 . . 1 . . . . 78 ALA HB . 6493 1
930 . 1 1 78 78 ALA HB3 H 1 0.71 . . 1 . . . . 78 ALA HB . 6493 1
931 . 1 1 78 78 ALA C C 13 181.35 . . 1 . . . . 78 ALA C . 6493 1
932 . 1 1 78 78 ALA CA C 13 55.85 . . 1 . . . . 78 ALA CA . 6493 1
933 . 1 1 78 78 ALA CB C 13 20.85 . . 1 . . . . 78 ALA CB . 6493 1
934 . 1 1 78 78 ALA N N 15 118.57 . . 1 . . . . 78 ALA N . 6493 1
935 . 1 1 79 79 PHE H H 1 7.64 . . 1 . . . . 79 PHE H . 6493 1
936 . 1 1 79 79 PHE HA H 1 4.39 . . 1 . . . . 79 PHE HA . 6493 1
937 . 1 1 79 79 PHE HB2 H 1 2.66 . . 2 . . . . 79 PHE HB2 . 6493 1
938 . 1 1 79 79 PHE HB3 H 1 1.50 . . 2 . . . . 79 PHE HB3 . 6493 1
939 . 1 1 79 79 PHE HD1 H 1 6.38 . . 1 . . . . 79 PHE HD1 . 6493 1
940 . 1 1 79 79 PHE HD2 H 1 6.38 . . 1 . . . . 79 PHE HD2 . 6493 1
941 . 1 1 79 79 PHE HE1 H 1 6.71 . . 1 . . . . 79 PHE HE1 . 6493 1
942 . 1 1 79 79 PHE HE2 H 1 6.71 . . 1 . . . . 79 PHE HE2 . 6493 1
943 . 1 1 79 79 PHE HZ H 1 7.00 . . 1 . . . . 79 PHE HZ . 6493 1
944 . 1 1 79 79 PHE C C 13 176.35 . . 1 . . . . 79 PHE C . 6493 1
945 . 1 1 79 79 PHE CA C 13 60.55 . . 1 . . . . 79 PHE CA . 6493 1
946 . 1 1 79 79 PHE CB C 13 40.45 . . 1 . . . . 79 PHE CB . 6493 1
947 . 1 1 79 79 PHE CD1 C 13 128.9 . . 1 . . . . 79 PHE CD1 . 6493 1
948 . 1 1 79 79 PHE CD2 C 13 128.9 . . 1 . . . . 79 PHE CD2 . 6493 1
949 . 1 1 79 79 PHE CE1 C 13 127.4 . . 1 . . . . 79 PHE CE1 . 6493 1
950 . 1 1 79 79 PHE CE2 C 13 127.4 . . 1 . . . . 79 PHE CE2 . 6493 1
951 . 1 1 79 79 PHE CZ C 13 126.2 . . 1 . . . . 79 PHE CZ . 6493 1
952 . 1 1 79 79 PHE N N 15 111.82 . . 1 . . . . 79 PHE N . 6493 1
953 . 1 1 80 80 GLN H H 1 7.24 . . 1 . . . . 80 GLN H . 6493 1
954 . 1 1 80 80 GLN HA H 1 3.85 . . 1 . . . . 80 GLN HA . 6493 1
955 . 1 1 80 80 GLN HB2 H 1 2.31 . . 2 . . . . 80 GLN HB2 . 6493 1
956 . 1 1 80 80 GLN HB3 H 1 2.00 . . 2 . . . . 80 GLN HB3 . 6493 1
957 . 1 1 80 80 GLN HG2 H 1 2.46 . . 2 . . . . 80 GLN HG2 . 6493 1
958 . 1 1 80 80 GLN HG3 H 1 1.87 . . 2 . . . . 80 GLN HG3 . 6493 1
959 . 1 1 80 80 GLN HE21 H 1 7.78 . . 2 . . . . 80 GLN HE21 . 6493 1
960 . 1 1 80 80 GLN HE22 H 1 7.44 . . 2 . . . . 80 GLN HE22 . 6493 1
961 . 1 1 80 80 GLN C C 13 179.55 . . 1 . . . . 80 GLN C . 6493 1
962 . 1 1 80 80 GLN CA C 13 60.05 . . 1 . . . . 80 GLN CA . 6493 1
963 . 1 1 80 80 GLN CB C 13 31.95 . . 1 . . . . 80 GLN CB . 6493 1
964 . 1 1 80 80 GLN CG C 13 36.05 . . 1 . . . . 80 GLN CG . 6493 1
965 . 1 1 80 80 GLN N N 15 122.41 . . 1 . . . . 80 GLN N . 6493 1
966 . 1 1 80 80 GLN NE2 N 15 109.9 . . 1 . . . . 80 GLN NE2 . 6493 1
967 . 1 1 81 81 GLY H H 1 8.58 . . 1 . . . . 81 GLY H . 6493 1
968 . 1 1 81 81 GLY HA2 H 1 4.07 . . 2 . . . . 81 GLY HA2 . 6493 1
969 . 1 1 81 81 GLY HA3 H 1 3.74 . . 2 . . . . 81 GLY HA3 . 6493 1
970 . 1 1 81 81 GLY C C 13 174.45 . . 1 . . . . 81 GLY C . 6493 1
971 . 1 1 81 81 GLY CA C 13 48.45 . . 1 . . . . 81 GLY CA . 6493 1
972 . 1 1 81 81 GLY N N 15 119.7 . . 1 . . . . 81 GLY N . 6493 1
973 . 1 1 82 82 TYR H H 1 8.22 . . 1 . . . . 82 TYR H . 6493 1
974 . 1 1 82 82 TYR HA H 1 4.50 . . 1 . . . . 82 TYR HA . 6493 1
975 . 1 1 82 82 TYR HB2 H 1 3.25 . . 2 . . . . 82 TYR HB2 . 6493 1
976 . 1 1 82 82 TYR HB3 H 1 3.01 . . 2 . . . . 82 TYR HB3 . 6493 1
977 . 1 1 82 82 TYR HD1 H 1 7.05 . . 1 . . . . 82 TYR HD1 . 6493 1
978 . 1 1 82 82 TYR HD2 H 1 7.05 . . 1 . . . . 82 TYR HD2 . 6493 1
979 . 1 1 82 82 TYR HE1 H 1 6.83 . . 1 . . . . 82 TYR HE1 . 6493 1
980 . 1 1 82 82 TYR HE2 H 1 6.83 . . 1 . . . . 82 TYR HE2 . 6493 1
981 . 1 1 82 82 TYR CA C 13 58.65 . . 1 . . . . 82 TYR CA . 6493 1
982 . 1 1 82 82 TYR CB C 13 42.45 . . 1 . . . . 82 TYR CB . 6493 1
983 . 1 1 82 82 TYR CD1 C 13 130.2 . . 1 . . . . 82 TYR CD1 . 6493 1
984 . 1 1 82 82 TYR CD2 C 13 130.2 . . 1 . . . . 82 TYR CD2 . 6493 1
985 . 1 1 82 82 TYR CE1 C 13 115.6 . . 1 . . . . 82 TYR CE1 . 6493 1
986 . 1 1 82 82 TYR CE2 C 13 115.6 . . 1 . . . . 82 TYR CE2 . 6493 1
987 . 1 1 82 82 TYR N N 15 124.82 . . 1 . . . . 82 TYR N . 6493 1
988 . 1 1 83 83 PRO HA H 1 3.98 . . 1 . . . . 83 PRO HA . 6493 1
989 . 1 1 83 83 PRO HB2 H 1 1.71 . . 2 . . . . 83 PRO HB2 . 6493 1
990 . 1 1 83 83 PRO HB3 H 1 1.67 . . 2 . . . . 83 PRO HB3 . 6493 1
991 . 1 1 83 83 PRO HG2 H 1 1.72 . . 2 . . . . 83 PRO HG2 . 6493 1
992 . 1 1 83 83 PRO HG3 H 1 1.65 . . 2 . . . . 83 PRO HG3 . 6493 1
993 . 1 1 83 83 PRO HD2 H 1 3.66 . . 2 . . . . 83 PRO HD2 . 6493 1
994 . 1 1 83 83 PRO HD3 H 1 2.66 . . 2 . . . . 83 PRO HD3 . 6493 1
995 . 1 1 83 83 PRO CA C 13 64.75 . . 1 . . . . 83 PRO CA . 6493 1
996 . 1 1 83 83 PRO CB C 13 32.15 . . 1 . . . . 83 PRO CB . 6493 1
997 . 1 1 83 83 PRO CG C 13 29.55 . . 1 . . . . 83 PRO CG . 6493 1
998 . 1 1 83 83 PRO CD C 13 52.45 . . 1 . . . . 83 PRO CD . 6493 1
999 . 1 1 84 84 PHE H H 1 8.41 . . 1 . . . . 84 PHE H . 6493 1
1000 . 1 1 84 84 PHE HA H 1 4.68 . . 1 . . . . 84 PHE HA . 6493 1
1001 . 1 1 84 84 PHE HB2 H 1 3.16 . . 2 . . . . 84 PHE HB2 . 6493 1
1002 . 1 1 84 84 PHE HB3 H 1 2.87 . . 2 . . . . 84 PHE HB3 . 6493 1
1003 . 1 1 84 84 PHE HD1 H 1 7.40 . . 1 . . . . 84 PHE HD1 . 6493 1
1004 . 1 1 84 84 PHE HD2 H 1 7.40 . . 1 . . . . 84 PHE HD2 . 6493 1
1005 . 1 1 84 84 PHE HE1 H 1 7.09 . . 1 . . . . 84 PHE HE1 . 6493 1
1006 . 1 1 84 84 PHE HE2 H 1 7.09 . . 1 . . . . 84 PHE HE2 . 6493 1
1007 . 1 1 84 84 PHE HZ H 1 7.02 . . 1 . . . . 84 PHE HZ . 6493 1
1008 . 1 1 84 84 PHE C C 13 175.45 . . 1 . . . . 84 PHE C . 6493 1
1009 . 1 1 84 84 PHE CA C 13 60.55 . . 1 . . . . 84 PHE CA . 6493 1
1010 . 1 1 84 84 PHE CB C 13 43.25 . . 1 . . . . 84 PHE CB . 6493 1
1011 . 1 1 84 84 PHE CD1 C 13 129.3 . . 1 . . . . 84 PHE CD1 . 6493 1
1012 . 1 1 84 84 PHE CD2 C 13 129.3 . . 1 . . . . 84 PHE CD2 . 6493 1
1013 . 1 1 84 84 PHE CE1 C 13 128.4 . . 1 . . . . 84 PHE CE1 . 6493 1
1014 . 1 1 84 84 PHE CE2 C 13 128.4 . . 1 . . . . 84 PHE CE2 . 6493 1
1015 . 1 1 84 84 PHE CZ C 13 126.2 . . 1 . . . . 84 PHE CZ . 6493 1
1016 . 1 1 84 84 PHE N N 15 128.56 . . 1 . . . . 84 PHE N . 6493 1
1017 . 1 1 85 85 GLN H H 1 9.06 . . 1 . . . . 85 GLN H . 6493 1
1018 . 1 1 85 85 GLN HA H 1 3.39 . . 1 . . . . 85 GLN HA . 6493 1
1019 . 1 1 85 85 GLN HB2 H 1 1.96 . . 2 . . . . 85 GLN HB2 . 6493 1
1020 . 1 1 85 85 GLN HB3 H 1 1.50 . . 2 . . . . 85 GLN HB3 . 6493 1
1021 . 1 1 85 85 GLN HG2 H 1 1.36 . . 2 . . . . 85 GLN HG2 . 6493 1
1022 . 1 1 85 85 GLN HG3 H 1 0.88 . . 2 . . . . 85 GLN HG3 . 6493 1
1023 . 1 1 85 85 GLN HE21 H 1 6.71 . . 2 . . . . 85 GLN HE21 . 6493 1
1024 . 1 1 85 85 GLN HE22 H 1 6.57 . . 2 . . . . 85 GLN HE22 . 6493 1
1025 . 1 1 85 85 GLN C C 13 176.85 . . 1 . . . . 85 GLN C . 6493 1
1026 . 1 1 85 85 GLN CA C 13 57.75 . . 1 . . . . 85 GLN CA . 6493 1
1027 . 1 1 85 85 GLN CB C 13 28.35 . . 1 . . . . 85 GLN CB . 6493 1
1028 . 1 1 85 85 GLN CG C 13 34.95 . . 1 . . . . 85 GLN CG . 6493 1
1029 . 1 1 85 85 GLN N N 15 124.88 . . 1 . . . . 85 GLN N . 6493 1
1030 . 1 1 86 86 GLY H H 1 8.04 . . 1 . . . . 86 GLY H . 6493 1
1031 . 1 1 86 86 GLY HA2 H 1 4.19 . . 2 . . . . 86 GLY HA2 . 6493 1
1032 . 1 1 86 86 GLY HA3 H 1 3.34 . . 2 . . . . 86 GLY HA3 . 6493 1
1033 . 1 1 86 86 GLY C C 13 175.25 . . 1 . . . . 86 GLY C . 6493 1
1034 . 1 1 86 86 GLY CA C 13 46.95 . . 1 . . . . 86 GLY CA . 6493 1
1035 . 1 1 86 86 GLY N N 15 102.81 . . 1 . . . . 86 GLY N . 6493 1
1036 . 1 1 87 87 ASN H H 1 7.50 . . 1 . . . . 87 ASN H . 6493 1
1037 . 1 1 87 87 ASN HA H 1 5.31 . . 1 . . . . 87 ASN HA . 6493 1
1038 . 1 1 87 87 ASN HB2 H 1 2.85 . . 2 . . . . 87 ASN HB2 . 6493 1
1039 . 1 1 87 87 ASN HB3 H 1 2.68 . . 2 . . . . 87 ASN HB3 . 6493 1
1040 . 1 1 87 87 ASN HD21 H 1 7.00 . . 2 . . . . 87 ASN HD21 . 6493 1
1041 . 1 1 87 87 ASN HD22 H 1 6.97 . . 2 . . . . 87 ASN HD22 . 6493 1
1042 . 1 1 87 87 ASN CA C 13 52.25 . . 1 . . . . 87 ASN CA . 6493 1
1043 . 1 1 87 87 ASN CB C 13 43.05 . . 1 . . . . 87 ASN CB . 6493 1
1044 . 1 1 87 87 ASN N N 15 118.70 . . 1 . . . . 87 ASN N . 6493 1
1045 . 1 1 88 88 PRO HA H 1 4.28 . . 1 . . . . 88 PRO HA . 6493 1
1046 . 1 1 88 88 PRO HB2 H 1 2.00 . . 2 . . . . 88 PRO HB2 . 6493 1
1047 . 1 1 88 88 PRO HB3 H 1 1.75 . . 2 . . . . 88 PRO HB3 . 6493 1
1048 . 1 1 88 88 PRO HG2 H 1 2.00 . . 2 . . . . 88 PRO HG2 . 6493 1
1049 . 1 1 88 88 PRO HG3 H 1 1.81 . . 2 . . . . 88 PRO HG3 . 6493 1
1050 . 1 1 88 88 PRO HD2 H 1 3.72 . . 2 . . . . 88 PRO HD2 . 6493 1
1051 . 1 1 88 88 PRO HD3 H 1 3.58 . . 2 . . . . 88 PRO HD3 . 6493 1
1052 . 1 1 88 88 PRO C C 13 178.55 . . 1 . . . . 88 PRO C . 6493 1
1053 . 1 1 88 88 PRO CA C 13 63.85 . . 1 . . . . 88 PRO CA . 6493 1
1054 . 1 1 88 88 PRO CB C 13 33.55 . . 1 . . . . 88 PRO CB . 6493 1
1055 . 1 1 88 88 PRO CG C 13 29.55 . . 1 . . . . 88 PRO CG . 6493 1
1056 . 1 1 88 88 PRO CD C 13 53.05 . . 1 . . . . 88 PRO CD . 6493 1
1057 . 1 1 89 89 LEU H H 1 8.64 . . 1 . . . . 89 LEU H . 6493 1
1058 . 1 1 89 89 LEU HA H 1 4.21 . . 1 . . . . 89 LEU HA . 6493 1
1059 . 1 1 89 89 LEU HB2 H 1 2.14 . . 2 . . . . 89 LEU HB2 . 6493 1
1060 . 1 1 89 89 LEU HB3 H 1 1.06 . . 2 . . . . 89 LEU HB3 . 6493 1
1061 . 1 1 89 89 LEU HG H 1 2.31 . . 1 . . . . 89 LEU HG . 6493 1
1062 . 1 1 89 89 LEU HD11 H 1 0.69 . . 1 . . . . 89 LEU HD1 . 6493 1
1063 . 1 1 89 89 LEU HD12 H 1 0.69 . . 1 . . . . 89 LEU HD1 . 6493 1
1064 . 1 1 89 89 LEU HD13 H 1 0.69 . . 1 . . . . 89 LEU HD1 . 6493 1
1065 . 1 1 89 89 LEU HD21 H 1 0.69 . . 1 . . . . 89 LEU HD2 . 6493 1
1066 . 1 1 89 89 LEU HD22 H 1 0.69 . . 1 . . . . 89 LEU HD2 . 6493 1
1067 . 1 1 89 89 LEU HD23 H 1 0.69 . . 1 . . . . 89 LEU HD2 . 6493 1
1068 . 1 1 89 89 LEU C C 13 178.45 . . 1 . . . . 89 LEU C . 6493 1
1069 . 1 1 89 89 LEU CA C 13 58.25 . . 1 . . . . 89 LEU CA . 6493 1
1070 . 1 1 89 89 LEU CB C 13 45.05 . . 1 . . . . 89 LEU CB . 6493 1
1071 . 1 1 89 89 LEU CG C 13 27.85 . . 1 . . . . 89 LEU CG . 6493 1
1072 . 1 1 89 89 LEU CD1 C 13 25.25 . . 1 . . . . 89 LEU CD1 . 6493 1
1073 . 1 1 89 89 LEU CD2 C 13 25.25 . . 1 . . . . 89 LEU CD2 . 6493 1
1074 . 1 1 89 89 LEU N N 15 124.85 . . 1 . . . . 89 LEU N . 6493 1
1075 . 1 1 90 90 VAL H H 1 7.33 . . 1 . . . . 90 VAL H . 6493 1
1076 . 1 1 90 90 VAL HA H 1 4.23 . . 1 . . . . 90 VAL HA . 6493 1
1077 . 1 1 90 90 VAL HB H 1 1.92 . . 1 . . . . 90 VAL HB . 6493 1
1078 . 1 1 90 90 VAL HG11 H 1 0.80 . . 2 . . . . 90 VAL HG1 . 6493 1
1079 . 1 1 90 90 VAL HG12 H 1 0.80 . . 2 . . . . 90 VAL HG1 . 6493 1
1080 . 1 1 90 90 VAL HG13 H 1 0.80 . . 2 . . . . 90 VAL HG1 . 6493 1
1081 . 1 1 90 90 VAL HG21 H 1 0.69 . . 2 . . . . 90 VAL HG2 . 6493 1
1082 . 1 1 90 90 VAL HG22 H 1 0.69 . . 2 . . . . 90 VAL HG2 . 6493 1
1083 . 1 1 90 90 VAL HG23 H 1 0.69 . . 2 . . . . 90 VAL HG2 . 6493 1
1084 . 1 1 90 90 VAL C C 13 176.75 . . 1 . . . . 90 VAL C . 6493 1
1085 . 1 1 90 90 VAL CA C 13 64.25 . . 1 . . . . 90 VAL CA . 6493 1
1086 . 1 1 90 90 VAL CB C 13 33.85 . . 1 . . . . 90 VAL CB . 6493 1
1087 . 1 1 90 90 VAL CG1 C 13 23.0 . . 1 . . . . 90 VAL CG1 . 6493 1
1088 . 1 1 90 90 VAL CG2 C 13 23.0 . . 1 . . . . 90 VAL CG2 . 6493 1
1089 . 1 1 90 90 VAL N N 15 124.05 . . 1 . . . . 90 VAL N . 6493 1
1090 . 1 1 91 91 ILE H H 1 9.24 . . 1 . . . . 91 ILE H . 6493 1
1091 . 1 1 91 91 ILE HA H 1 5.11 . . 1 . . . . 91 ILE HA . 6493 1
1092 . 1 1 91 91 ILE HB H 1 1.42 . . 1 . . . . 91 ILE HB . 6493 1
1093 . 1 1 91 91 ILE HG12 H 1 1.42 . . 4 . . . . 91 ILE HG12 . 6493 1
1094 . 1 1 91 91 ILE HG13 H 1 0.70 . . 4 . . . . 91 ILE HG13 . 6493 1
1095 . 1 1 91 91 ILE HG21 H 1 0.79 . . 4 . . . . 91 ILE HG2 . 6493 1
1096 . 1 1 91 91 ILE HG22 H 1 0.79 . . 4 . . . . 91 ILE HG2 . 6493 1
1097 . 1 1 91 91 ILE HG23 H 1 0.79 . . 4 . . . . 91 ILE HG2 . 6493 1
1098 . 1 1 91 91 ILE HD11 H 1 0.41 . . 1 . . . . 91 ILE HD1 . 6493 1
1099 . 1 1 91 91 ILE HD12 H 1 0.41 . . 1 . . . . 91 ILE HD1 . 6493 1
1100 . 1 1 91 91 ILE HD13 H 1 0.41 . . 1 . . . . 91 ILE HD1 . 6493 1
1101 . 1 1 91 91 ILE C C 13 177.35 . . 1 . . . . 91 ILE C . 6493 1
1102 . 1 1 91 91 ILE CA C 13 62.45 . . 1 . . . . 91 ILE CA . 6493 1
1103 . 1 1 91 91 ILE CB C 13 42.45 . . 1 . . . . 91 ILE CB . 6493 1
1104 . 1 1 91 91 ILE CG1 C 13 29.4 . . 2 . . . . 91 ILE CG1 . 6493 1
1105 . 1 1 91 91 ILE CG2 C 13 23.2 . . 2 . . . . 91 ILE CG2 . 6493 1
1106 . 1 1 91 91 ILE CD1 C 13 16.35 . . 1 . . . . 91 ILE CD1 . 6493 1
1107 . 1 1 91 91 ILE N N 15 127.55 . . 1 . . . . 91 ILE N . 6493 1
1108 . 1 1 92 92 THR H H 1 9.07 . . 1 . . . . 92 THR H . 6493 1
1109 . 1 1 92 92 THR HA H 1 4.47 . . 1 . . . . 92 THR HA . 6493 1
1110 . 1 1 92 92 THR HB H 1 4.14 . . 1 . . . . 92 THR HB . 6493 1
1111 . 1 1 92 92 THR HG21 H 1 1.09 . . 1 . . . . 92 THR HG2 . 6493 1
1112 . 1 1 92 92 THR HG22 H 1 1.09 . . 1 . . . . 92 THR HG2 . 6493 1
1113 . 1 1 92 92 THR HG23 H 1 1.09 . . 1 . . . . 92 THR HG2 . 6493 1
1114 . 1 1 92 92 THR C C 13 174.55 . . 1 . . . . 92 THR C . 6493 1
1115 . 1 1 92 92 THR CA C 13 61.45 . . 1 . . . . 92 THR CA . 6493 1
1116 . 1 1 92 92 THR CB C 13 73.75 . . 1 . . . . 92 THR CB . 6493 1
1117 . 1 1 92 92 THR CG2 C 13 23.15 . . 1 . . . . 92 THR CG2 . 6493 1
1118 . 1 1 92 92 THR N N 15 120.88 . . 1 . . . . 92 THR N . 6493 1
1119 . 1 1 93 93 PHE H H 1 8.41 . . 1 . . . . 93 PHE H . 6493 1
1120 . 1 1 93 93 PHE HA H 1 4.97 . . 1 . . . . 93 PHE HA . 6493 1
1121 . 1 1 93 93 PHE HB2 H 1 3.19 . . 2 . . . . 93 PHE HB2 . 6493 1
1122 . 1 1 93 93 PHE HB3 H 1 2.80 . . 2 . . . . 93 PHE HB3 . 6493 1
1123 . 1 1 93 93 PHE HD1 H 1 7.26 . . 1 . . . . 93 PHE HD1 . 6493 1
1124 . 1 1 93 93 PHE HD2 H 1 7.26 . . 1 . . . . 93 PHE HD2 . 6493 1
1125 . 1 1 93 93 PHE HE1 H 1 7.17 . . 1 . . . . 93 PHE HE1 . 6493 1
1126 . 1 1 93 93 PHE HE2 H 1 7.17 . . 1 . . . . 93 PHE HE2 . 6493 1
1127 . 1 1 93 93 PHE HZ H 1 7.07 . . 1 . . . . 93 PHE HZ . 6493 1
1128 . 1 1 93 93 PHE C C 13 177.75 . . 1 . . . . 93 PHE C . 6493 1
1129 . 1 1 93 93 PHE CA C 13 60.65 . . 1 . . . . 93 PHE CA . 6493 1
1130 . 1 1 93 93 PHE CB C 13 42.25 . . 1 . . . . 93 PHE CB . 6493 1
1131 . 1 1 93 93 PHE CD1 C 13 128.7 . . 1 . . . . 93 PHE CD1 . 6493 1
1132 . 1 1 93 93 PHE CD2 C 13 128.7 . . 1 . . . . 93 PHE CD2 . 6493 1
1133 . 1 1 93 93 PHE CE1 C 13 128.7 . . 1 . . . . 93 PHE CE1 . 6493 1
1134 . 1 1 93 93 PHE CE2 C 13 128.7 . . 1 . . . . 93 PHE CE2 . 6493 1
1135 . 1 1 93 93 PHE CZ C 13 126.5 . . 1 . . . . 93 PHE CZ . 6493 1
1136 . 1 1 93 93 PHE N N 15 120.45 . . 1 . . . . 93 PHE N . 6493 1
1137 . 1 1 94 94 SER H H 1 8.48 . . 1 . . . . 94 SER H . 6493 1
1138 . 1 1 94 94 SER HA H 1 4.53 . . 1 . . . . 94 SER HA . 6493 1
1139 . 1 1 94 94 SER HB2 H 1 3.66 . . 2 . . . . 94 SER HB2 . 6493 1
1140 . 1 1 94 94 SER HB3 H 1 3.45 . . 2 . . . . 94 SER HB3 . 6493 1
1141 . 1 1 94 94 SER C C 13 179.6 . . 1 . . . . 94 SER C . 6493 1
1142 . 1 1 94 94 SER CA C 13 58.95 . . 1 . . . . 94 SER CA . 6493 1
1143 . 1 1 94 94 SER CB C 13 67.15 . . 1 . . . . 94 SER CB . 6493 1
1144 . 1 1 94 94 SER N N 15 116.20 . . 1 . . . . 94 SER N . 6493 1
1145 . 1 1 95 95 GLU H H 1 8.61 . . 1 . . . . 95 GLU H . 6493 1
1146 . 1 1 95 95 GLU HA H 1 4.42 . . 1 . . . . 95 GLU HA . 6493 1
1147 . 1 1 95 95 GLU HB2 H 1 2.00 . . 2 . . . . 95 GLU HB2 . 6493 1
1148 . 1 1 95 95 GLU HB3 H 1 1.84 . . 2 . . . . 95 GLU HB3 . 6493 1
1149 . 1 1 95 95 GLU HG2 H 1 2.18 . . 1 . . . . 95 GLU HG2 . 6493 1
1150 . 1 1 95 95 GLU HG3 H 1 2.18 . . 1 . . . . 95 GLU HG3 . 6493 1
1151 . 1 1 95 95 GLU C C 13 174.4 . . 1 . . . . 95 GLU C . 6493 1
1152 . 1 1 95 95 GLU CA C 13 58.15 . . 1 . . . . 95 GLU CA . 6493 1
1153 . 1 1 95 95 GLU CB C 13 33.15 . . 1 . . . . 95 GLU CB . 6493 1
1154 . 1 1 95 95 GLU CG C 13 37.95 . . 1 . . . . 95 GLU CG . 6493 1
1155 . 1 1 95 95 GLU N N 15 123.45 . . 1 . . . . 95 GLU N . 6493 1
1156 . 1 1 96 96 THR H H 1 8.34 . . 1 . . . . 96 THR H . 6493 1
1157 . 1 1 96 96 THR HA H 1 4.19 . . 1 . . . . 96 THR HA . 6493 1
1158 . 1 1 96 96 THR HB H 1 3.94 . . 1 . . . . 96 THR HB . 6493 1
1159 . 1 1 96 96 THR HG21 H 1 1.06 . . 1 . . . . 96 THR HG2 . 6493 1
1160 . 1 1 96 96 THR HG22 H 1 1.06 . . 1 . . . . 96 THR HG2 . 6493 1
1161 . 1 1 96 96 THR HG23 H 1 1.06 . . 1 . . . . 96 THR HG2 . 6493 1
1162 . 1 1 96 96 THR CA C 13 62.55 . . 1 . . . . 96 THR CA . 6493 1
1163 . 1 1 96 96 THR CB C 13 71.45 . . 1 . . . . 96 THR CB . 6493 1
1164 . 1 1 96 96 THR CG2 C 13 23.75 . . 1 . . . . 96 THR CG2 . 6493 1
1165 . 1 1 96 96 THR N N 15 117.75 . . 1 . . . . 96 THR N . 6493 1
1166 . 1 1 97 97 PRO HA H 1 4.15 . . 1 . . . . 97 PRO HA . 6493 1
1167 . 1 1 97 97 PRO HB2 H 1 1.85 . . 2 . . . . 97 PRO HB2 . 6493 1
1168 . 1 1 97 97 PRO HB3 H 1 1.65 . . 2 . . . . 97 PRO HB3 . 6493 1
1169 . 1 1 97 97 PRO HG2 H 1 1.72 . . 2 . . . . 97 PRO HG2 . 6493 1
1170 . 1 1 97 97 PRO HG3 H 1 1.51 . . 2 . . . . 97 PRO HG3 . 6493 1
1171 . 1 1 97 97 PRO HD2 H 1 3.41 . . 1 . . . . 97 PRO HD2 . 6493 1
1172 . 1 1 97 97 PRO HD3 H 1 3.41 . . 1 . . . . 97 PRO HD3 . 6493 1
1173 . 1 1 97 97 PRO C C 13 177.5 . . 1 . . . . 97 PRO C . 6493 1
1174 . 1 1 97 97 PRO CA C 13 64.95 . . 1 . . . . 97 PRO CA . 6493 1
1175 . 1 1 97 97 PRO CB C 13 33.55 . . 1 . . . . 97 PRO CB . 6493 1
1176 . 1 1 97 97 PRO CG C 13 29.15 . . 1 . . . . 97 PRO CG . 6493 1
1177 . 1 1 97 97 PRO CD C 13 52.65 . . 1 . . . . 97 PRO CD . 6493 1
1178 . 1 1 98 98 GLN H H 1 8.30 . . 1 . . . . 98 GLN H . 6493 1
1179 . 1 1 98 98 GLN HA H 1 4.07 . . 1 . . . . 98 GLN HA . 6493 1
1180 . 1 1 98 98 GLN HB2 H 1 1.93 . . 2 . . . . 98 GLN HB2 . 6493 1
1181 . 1 1 98 98 GLN HB3 H 1 1.80 . . 2 . . . . 98 GLN HB3 . 6493 1
1182 . 1 1 98 98 GLN HG2 H 1 2.20 . . 1 . . . . 98 GLN HG2 . 6493 1
1183 . 1 1 98 98 GLN HG3 H 1 2.20 . . 1 . . . . 98 GLN HG3 . 6493 1
1184 . 1 1 98 98 GLN C C 13 177.4 . . 1 . . . . 98 GLN C . 6493 1
1185 . 1 1 98 98 GLN CA C 13 58.05 . . 1 . . . . 98 GLN CA . 6493 1
1186 . 1 1 98 98 GLN CB C 13 31.25 . . 1 . . . . 98 GLN CB . 6493 1
1187 . 1 1 98 98 GLN CG C 13 35.45 . . 1 . . . . 98 GLN CG . 6493 1
1188 . 1 1 98 98 GLN N N 15 120.95 . . 1 . . . . 98 GLN N . 6493 1
1189 . 1 1 99 99 SER H H 1 8.18 . . 1 . . . . 99 SER H . 6493 1
1190 . 1 1 99 99 SER HA H 1 4.24 . . 1 . . . . 99 SER HA . 6493 1
1191 . 1 1 99 99 SER HB2 H 1 3.71 . . 1 . . . . 99 SER HB2 . 6493 1
1192 . 1 1 99 99 SER HB3 H 1 3.71 . . 1 . . . . 99 SER HB3 . 6493 1
1193 . 1 1 99 99 SER C C 13 177.8 . . 1 . . . . 99 SER C . 6493 1
1194 . 1 1 99 99 SER CA C 13 60.45 . . 1 . . . . 99 SER CA . 6493 1
1195 . 1 1 99 99 SER CB C 13 65.45 . . 1 . . . . 99 SER CB . 6493 1
1196 . 1 1 99 99 SER N N 15 116.75 . . 1 . . . . 99 SER N . 6493 1
1197 . 1 1 100 100 GLN H H 1 8.22 . . 1 . . . . 100 GLN H . 6493 1
1198 . 1 1 100 100 GLN HA H 1 4.24 . . 1 . . . . 100 GLN HA . 6493 1
1199 . 1 1 100 100 GLN HB2 H 1 1.97 . . 2 . . . . 100 GLN HB2 . 6493 1
1200 . 1 1 100 100 GLN HB3 H 1 1.79 . . 2 . . . . 100 GLN HB3 . 6493 1
1201 . 1 1 100 100 GLN HG2 H 1 2.19 . . 1 . . . . 100 GLN HG2 . 6493 1
1202 . 1 1 100 100 GLN HG3 H 1 2.19 . . 1 . . . . 100 GLN HG3 . 6493 1
1203 . 1 1 100 100 GLN C C 13 177.05 . . 1 . . . . 100 GLN C . 6493 1
1204 . 1 1 100 100 GLN CA C 13 57.65 . . 1 . . . . 100 GLN CA . 6493 1
1205 . 1 1 100 100 GLN CB C 13 31.25 . . 1 . . . . 100 GLN CB . 6493 1
1206 . 1 1 100 100 GLN CG C 13 35.75 . . 1 . . . . 100 GLN CG . 6493 1
1207 . 1 1 100 100 GLN N N 15 122.15 . . 1 . . . . 100 GLN N . 6493 1
1208 . 1 1 101 101 VAL H H 1 7.92 . . 1 . . . . 101 VAL H . 6493 1
1209 . 1 1 101 101 VAL HA H 1 3.93 . . 1 . . . . 101 VAL HA . 6493 1
1210 . 1 1 101 101 VAL HB H 1 1.88 . . 1 . . . . 101 VAL HB . 6493 1
1211 . 1 1 101 101 VAL HG11 H 1 0.73 . . 1 . . . . 101 VAL HG1 . 6493 1
1212 . 1 1 101 101 VAL HG12 H 1 0.73 . . 1 . . . . 101 VAL HG1 . 6493 1
1213 . 1 1 101 101 VAL HG13 H 1 0.73 . . 1 . . . . 101 VAL HG1 . 6493 1
1214 . 1 1 101 101 VAL HG21 H 1 0.73 . . 1 . . . . 101 VAL HG2 . 6493 1
1215 . 1 1 101 101 VAL HG22 H 1 0.73 . . 1 . . . . 101 VAL HG2 . 6493 1
1216 . 1 1 101 101 VAL HG23 H 1 0.73 . . 1 . . . . 101 VAL HG2 . 6493 1
1217 . 1 1 101 101 VAL C C 13 177.05 . . 1 . . . . 101 VAL C . 6493 1
1218 . 1 1 101 101 VAL CA C 13 64.55 . . 1 . . . . 101 VAL CA . 6493 1
1219 . 1 1 101 101 VAL CB C 13 34.65 . . 1 . . . . 101 VAL CB . 6493 1
1220 . 1 1 101 101 VAL CG1 C 13 22.95 . . 1 . . . . 101 VAL CG1 . 6493 1
1221 . 1 1 101 101 VAL CG2 C 13 22.95 . . 1 . . . . 101 VAL CG2 . 6493 1
1222 . 1 1 101 101 VAL N N 15 121.15 . . 1 . . . . 101 VAL N . 6493 1
1223 . 1 1 102 102 ALA H H 1 8.25 . . 1 . . . . 102 ALA H . 6493 1
1224 . 1 1 102 102 ALA HA H 1 4.20 . . 1 . . . . 102 ALA HA . 6493 1
1225 . 1 1 102 102 ALA HB1 H 1 1.25 . . 1 . . . . 102 ALA HB . 6493 1
1226 . 1 1 102 102 ALA HB2 H 1 1.25 . . 1 . . . . 102 ALA HB . 6493 1
1227 . 1 1 102 102 ALA HB3 H 1 1.25 . . 1 . . . . 102 ALA HB . 6493 1
1228 . 1 1 102 102 ALA C C 13 176.9 . . 1 . . . . 102 ALA C . 6493 1
1229 . 1 1 102 102 ALA CA C 13 54.25 . . 1 . . . . 102 ALA CA . 6493 1
1230 . 1 1 102 102 ALA CB C 13 21.25 . . 1 . . . . 102 ALA CB . 6493 1
1231 . 1 1 102 102 ALA N N 15 127.65 . . 1 . . . . 102 ALA N . 6493 1
1232 . 1 1 103 103 GLU H H 1 8.33 . . 1 . . . . 103 GLU H . 6493 1
1233 . 1 1 103 103 GLU HA H 1 4.11 . . 1 . . . . 103 GLU HA . 6493 1
1234 . 1 1 103 103 GLU HB2 H 1 1.93 . . 2 . . . . 103 GLU HB2 . 6493 1
1235 . 1 1 103 103 GLU HB3 H 1 1.82 . . 2 . . . . 103 GLU HB3 . 6493 1
1236 . 1 1 103 103 GLU HG2 H 1 2.15 . . 1 . . . . 103 GLU HG2 . 6493 1
1237 . 1 1 103 103 GLU HG3 H 1 2.15 . . 1 . . . . 103 GLU HG3 . 6493 1
1238 . 1 1 103 103 GLU C C 13 177.85 . . 1 . . . . 103 GLU C . 6493 1
1239 . 1 1 103 103 GLU CA C 13 58.85 . . 1 . . . . 103 GLU CA . 6493 1
1240 . 1 1 103 103 GLU CB C 13 32.05 . . 1 . . . . 103 GLU CB . 6493 1
1241 . 1 1 103 103 GLU N N 15 120.95 . . 1 . . . . 103 GLU N . 6493 1
1242 . 1 1 104 104 ASP H H 1 8.19 . . 1 . . . . 104 ASP H . 6493 1
1243 . 1 1 104 104 ASP HA H 1 4.45 . . 1 . . . . 104 ASP HA . 6493 1
1244 . 1 1 104 104 ASP HB2 H 1 2.63 . . 2 . . . . 104 ASP HB2 . 6493 1
1245 . 1 1 104 104 ASP HB3 H 1 2.58 . . 2 . . . . 104 ASP HB3 . 6493 1
1246 . 1 1 104 104 ASP C C 13 179.45 . . 1 . . . . 104 ASP C . 6493 1
1247 . 1 1 104 104 ASP CA C 13 56.25 . . 1 . . . . 104 ASP CA . 6493 1
1248 . 1 1 104 104 ASP CB C 13 43.15 . . 1 . . . . 104 ASP CB . 6493 1
1249 . 1 1 104 104 ASP N N 15 120.96 . . 1 . . . . 104 ASP N . 6493 1
1250 . 1 1 105 105 GLY H H 1 8.33 . . 1 . . . . 105 GLY H . 6493 1
1251 . 1 1 105 105 GLY HA2 H 1 3.86 . . 1 . . . . 105 GLY HA2 . 6493 1
1252 . 1 1 105 105 GLY HA3 H 1 3.86 . . 1 . . . . 105 GLY HA3 . 6493 1
1253 . 1 1 105 105 GLY C C 13 177.8 . . 1 . . . . 105 GLY C . 6493 1
1254 . 1 1 105 105 GLY CA C 13 47.25 . . 1 . . . . 105 GLY CA . 6493 1
1255 . 1 1 105 105 GLY N N 15 110.26 . . 1 . . . . 105 GLY N . 6493 1
1256 . 1 1 106 106 SER H H 1 8.12 . . 1 . . . . 106 SER H . 6493 1
1257 . 1 1 106 106 SER HA H 1 4.25 . . 1 . . . . 106 SER HA . 6493 1
1258 . 1 1 106 106 SER HB2 H 1 3.71 . . 1 . . . . 106 SER HB2 . 6493 1
1259 . 1 1 106 106 SER HB3 H 1 3.71 . . 1 . . . . 106 SER HB3 . 6493 1
1260 . 1 1 106 106 SER CA C 13 60.65 . . 1 . . . . 106 SER CA . 6493 1
1261 . 1 1 106 106 SER CB C 13 65.95 . . 1 . . . . 106 SER CB . 6493 1
1262 . 1 1 106 106 SER N N 15 115.85 . . 1 . . . . 106 SER N . 6493 1
1263 . 1 1 107 107 LEU H H 1 8.16 . . 1 . . . . 107 LEU H . 6493 1
1264 . 1 1 107 107 LEU N N 15 123.45 . . 1 . . . . 107 LEU N . 6493 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 205 6493 1
1 206 6493 1
1 207 6493 1
1 208 6493 1
1 209 6493 1
2 245 6493 1
2 246 6493 1
2 247 6493 1
2 248 6493 1
2 249 6493 1
3 540 6493 1
3 541 6493 1
3 542 6493 1
3 543 6493 1
3 544 6493 1
4 584 6493 1
4 585 6493 1
4 586 6493 1
4 587 6493 1
4 588 6493 1
5 749 6493 1
5 750 6493 1
5 751 6493 1
5 752 6493 1
5 753 6493 1
6 1093 6493 1
6 1094 6493 1
6 1095 6493 1
6 1096 6493 1
6 1097 6493 1
stop_
save_