data_15012
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15012
_Entry.Title
;
chemical shift assignment of the protein Atu4866 from Agrobacterium tumefaciens
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2006-11-01
_Entry.Accession_date 2006-11-01
_Entry.Last_release_date 2008-05-12
_Entry.Original_release_date 2008-05-12
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Xuanjun Ai . . . 15012
2 Anthony Semesi . . . 15012
3 Adelinda Yee . . . 15012
4 Cheryl Arrowsmith . H . 15012
5 Shawn Li . S.C. . 15012
6 Wing-Yiu Choy . . . 15012
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'not applicable' 'Ontario Centre for Structural Proteomics' . 15012
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 15012
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 282 15012
'15N chemical shifts' 73 15012
'1H chemical shifts' 458 15012
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 . . 2008-05-12 2006-11-01 original author . 15012
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 15012
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 18042676
_Citation.Full_citation .
_Citation.Title 'The hypothetical protein Atu4866 from Agrobacterium tumefaciens adopts a streptavidin-like fold'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Protein Sci.'
_Citation.Journal_name_full .
_Citation.Journal_volume 17
_Citation.Journal_issue 1
_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 154
_Citation.Page_last 158
_Citation.Year 2008
_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 Xuanjun Ai . . . 15012 1
2 Anthony Semesi . . . 15012 1
3 Adelinda Yee . . . 15012 1
4 Cheryl Arrowsmith . H . 15012 1
5 Wing-Yiu Choy . . . 15012 1
6 Shawn Li . S.C. . 15012 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 15012
_Assembly.ID 1
_Assembly.Name Atu4866
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'not present'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 Atu4866 1 $Atu4866 A . yes native no no . . . 15012 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Atu4866
_Entity.Sf_category entity
_Entity.Sf_framecode Atu4866
_Entity.Entry_ID 15012
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Atu4866
_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
;
MGSSHHHHHHSSGRENLYFQ
GMQHPYVGIWVTADGRIRQE
LLPNGRYDEARGNRKSAYQG
RYEVRGAHINYWDDTGFTAD
GDFVSANELHHGGMTFYREK
;
_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 100
_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 .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2JMB . "Solution Structure Of The Protein Atu4866 From Agrobacterium Tumefaciens" . . . . . 79.00 79 100.00 100.00 6.73e-51 . . . . 15012 1
2 no GB AAK88581 . "conserved hypothetical protein [Agrobacterium fabrum str. C58]" . . . . . 79.00 79 100.00 100.00 6.73e-51 . . . . 15012 1
3 no GB KEY50003 . "hypothetical protein EN41_11185 [Agrobacterium tumefaciens]" . . . . . 79.00 79 100.00 100.00 6.73e-51 . . . . 15012 1
4 no GB KJX85412 . "hypothetical protein SY94_4817 [Agrobacterium tumefaciens]" . . . . . 79.00 79 100.00 100.00 6.73e-51 . . . . 15012 1
5 no REF NP_355796 . "hypothetical protein Atu4866 [Agrobacterium fabrum str. C58]" . . . . . 79.00 79 100.00 100.00 6.73e-51 . . . . 15012 1
6 no REF WP_010974236 . "hypothetical protein [Agrobacterium fabrum]" . . . . . 79.00 79 100.00 100.00 6.73e-51 . . . . 15012 1
7 no REF WP_046033740 . "hypothetical protein [Agrobacterium tumefaciens]" . . . . . 79.00 107 100.00 100.00 2.67e-51 . . . . 15012 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 -20 MET . 15012 1
2 -19 GLY . 15012 1
3 -18 SER . 15012 1
4 -17 SER . 15012 1
5 -16 HIS . 15012 1
6 -15 HIS . 15012 1
7 -14 HIS . 15012 1
8 -13 HIS . 15012 1
9 -12 HIS . 15012 1
10 -11 HIS . 15012 1
11 -10 SER . 15012 1
12 -9 SER . 15012 1
13 -8 GLY . 15012 1
14 -7 ARG . 15012 1
15 -6 GLU . 15012 1
16 -5 ASN . 15012 1
17 -4 LEU . 15012 1
18 -3 TYR . 15012 1
19 -2 PHE . 15012 1
20 -1 GLN . 15012 1
21 0 GLY . 15012 1
22 1 MET . 15012 1
23 2 GLN . 15012 1
24 3 HIS . 15012 1
25 4 PRO . 15012 1
26 5 TYR . 15012 1
27 6 VAL . 15012 1
28 7 GLY . 15012 1
29 8 ILE . 15012 1
30 9 TRP . 15012 1
31 10 VAL . 15012 1
32 11 THR . 15012 1
33 12 ALA . 15012 1
34 13 ASP . 15012 1
35 14 GLY . 15012 1
36 15 ARG . 15012 1
37 16 ILE . 15012 1
38 17 ARG . 15012 1
39 18 GLN . 15012 1
40 19 GLU . 15012 1
41 20 LEU . 15012 1
42 21 LEU . 15012 1
43 22 PRO . 15012 1
44 23 ASN . 15012 1
45 24 GLY . 15012 1
46 25 ARG . 15012 1
47 26 TYR . 15012 1
48 27 ASP . 15012 1
49 28 GLU . 15012 1
50 29 ALA . 15012 1
51 30 ARG . 15012 1
52 31 GLY . 15012 1
53 32 ASN . 15012 1
54 33 ARG . 15012 1
55 34 LYS . 15012 1
56 35 SER . 15012 1
57 36 ALA . 15012 1
58 37 TYR . 15012 1
59 38 GLN . 15012 1
60 39 GLY . 15012 1
61 40 ARG . 15012 1
62 41 TYR . 15012 1
63 42 GLU . 15012 1
64 43 VAL . 15012 1
65 44 ARG . 15012 1
66 45 GLY . 15012 1
67 46 ALA . 15012 1
68 47 HIS . 15012 1
69 48 ILE . 15012 1
70 49 ASN . 15012 1
71 50 TYR . 15012 1
72 51 TRP . 15012 1
73 52 ASP . 15012 1
74 53 ASP . 15012 1
75 54 THR . 15012 1
76 55 GLY . 15012 1
77 56 PHE . 15012 1
78 57 THR . 15012 1
79 58 ALA . 15012 1
80 59 ASP . 15012 1
81 60 GLY . 15012 1
82 61 ASP . 15012 1
83 62 PHE . 15012 1
84 63 VAL . 15012 1
85 64 SER . 15012 1
86 65 ALA . 15012 1
87 66 ASN . 15012 1
88 67 GLU . 15012 1
89 68 LEU . 15012 1
90 69 HIS . 15012 1
91 70 HIS . 15012 1
92 71 GLY . 15012 1
93 72 GLY . 15012 1
94 73 MET . 15012 1
95 74 THR . 15012 1
96 75 PHE . 15012 1
97 76 TYR . 15012 1
98 77 ARG . 15012 1
99 78 GLU . 15012 1
100 79 LYS . 15012 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 15012 1
. GLY 2 2 15012 1
. SER 3 3 15012 1
. SER 4 4 15012 1
. HIS 5 5 15012 1
. HIS 6 6 15012 1
. HIS 7 7 15012 1
. HIS 8 8 15012 1
. HIS 9 9 15012 1
. HIS 10 10 15012 1
. SER 11 11 15012 1
. SER 12 12 15012 1
. GLY 13 13 15012 1
. ARG 14 14 15012 1
. GLU 15 15 15012 1
. ASN 16 16 15012 1
. LEU 17 17 15012 1
. TYR 18 18 15012 1
. PHE 19 19 15012 1
. GLN 20 20 15012 1
. GLY 21 21 15012 1
. MET 22 22 15012 1
. GLN 23 23 15012 1
. HIS 24 24 15012 1
. PRO 25 25 15012 1
. TYR 26 26 15012 1
. VAL 27 27 15012 1
. GLY 28 28 15012 1
. ILE 29 29 15012 1
. TRP 30 30 15012 1
. VAL 31 31 15012 1
. THR 32 32 15012 1
. ALA 33 33 15012 1
. ASP 34 34 15012 1
. GLY 35 35 15012 1
. ARG 36 36 15012 1
. ILE 37 37 15012 1
. ARG 38 38 15012 1
. GLN 39 39 15012 1
. GLU 40 40 15012 1
. LEU 41 41 15012 1
. LEU 42 42 15012 1
. PRO 43 43 15012 1
. ASN 44 44 15012 1
. GLY 45 45 15012 1
. ARG 46 46 15012 1
. TYR 47 47 15012 1
. ASP 48 48 15012 1
. GLU 49 49 15012 1
. ALA 50 50 15012 1
. ARG 51 51 15012 1
. GLY 52 52 15012 1
. ASN 53 53 15012 1
. ARG 54 54 15012 1
. LYS 55 55 15012 1
. SER 56 56 15012 1
. ALA 57 57 15012 1
. TYR 58 58 15012 1
. GLN 59 59 15012 1
. GLY 60 60 15012 1
. ARG 61 61 15012 1
. TYR 62 62 15012 1
. GLU 63 63 15012 1
. VAL 64 64 15012 1
. ARG 65 65 15012 1
. GLY 66 66 15012 1
. ALA 67 67 15012 1
. HIS 68 68 15012 1
. ILE 69 69 15012 1
. ASN 70 70 15012 1
. TYR 71 71 15012 1
. TRP 72 72 15012 1
. ASP 73 73 15012 1
. ASP 74 74 15012 1
. THR 75 75 15012 1
. GLY 76 76 15012 1
. PHE 77 77 15012 1
. THR 78 78 15012 1
. ALA 79 79 15012 1
. ASP 80 80 15012 1
. GLY 81 81 15012 1
. ASP 82 82 15012 1
. PHE 83 83 15012 1
. VAL 84 84 15012 1
. SER 85 85 15012 1
. ALA 86 86 15012 1
. ASN 87 87 15012 1
. GLU 88 88 15012 1
. LEU 89 89 15012 1
. HIS 90 90 15012 1
. HIS 91 91 15012 1
. GLY 92 92 15012 1
. GLY 93 93 15012 1
. MET 94 94 15012 1
. THR 95 95 15012 1
. PHE 96 96 15012 1
. TYR 97 97 15012 1
. ARG 98 98 15012 1
. GLU 99 99 15012 1
. LYS 100 100 15012 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 15012
_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 $Atu4866 . 358 organism . 'Agrobacterium tumefaciens' 'Agrobacterium tumefaciens' . . Bacteria . Agrobacterium tumefaciens C58 . . . . . . . . . . . . . . . Atu4866 . . . . 15012 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 15012
_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 $Atu4866 . 'recombinant technology' 'Escherichia coli' . . . . . BL21 . . . . . . . . . . . . . . . 'pET derived vector' . . . . . . 15012 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 15012
_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 Atu4866 '[U-13C; U-15N]' . . 1 $Atu4866 . . . 0.3 0.5 mM . . . . 15012 1
2 'sodium acetate' . . . . . . . . 10 . mM . . . . 15012 1
3 NaCl . . . . . . . . 300 . mM . . . . 15012 1
4 Zn2+ . . . . . . . . 10 . mM . . . . 15012 1
5 DTT . . . . . . . . 10 . uM . . . . 15012 1
6 NaN3 . . . . . . . . 0.01 . mM . . . . 15012 1
7 'inhibitor mixture' . . . . . . . . 1 . % . . . . 15012 1
8 benzamidine . . . . . . . . 1 . mM . . . . 15012 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 15012
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.45 . M 15012 1
pH 5.0 0.1 pH 15012 1
pressure 1 . atm 15012 1
temperature 298 0.1 K 15012 1
stop_
save_
############################
# Computer software used #
############################
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 15012
_Software.ID 1
_Software.Name NMRView
_Software.Version 5.2.2
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'B.A. Johnson, R.A. Blevins' . . 15012 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 15012 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 15012
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 15012
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 600 . . . 15012 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 15012
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15012 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15012 1
3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15012 1
4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15012 1
5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15012 1
6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15012 1
7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15012 1
8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15012 1
9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15012 1
10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15012 1
11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15012 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 15012
_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 0.00 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 15012 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citation_1 . . 1 $citation_1 15012 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 15012 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15012
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.006
_Assigned_chem_shift_list.Chem_shift_13C_err 0.16
_Assigned_chem_shift_list.Chem_shift_15N_err 0.24
_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
3 '3D CBCA(CO)NH' . . . 15012 1
8 '3D HCCH-TOCSY' . . . 15012 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $NMRView . . 15012 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 22 22 MET H H 1 7.702 0.006 . 1 . . . . 1 MET H . 15012 1
2 . 1 1 22 22 MET HA H 1 4.727 0.006 . 1 . . . . 1 MET HA . 15012 1
3 . 1 1 22 22 MET CA C 13 53.541 0.16 . 1 . . . . 1 MET CA . 15012 1
4 . 1 1 22 22 MET CB C 13 30.218 0.16 . 1 . . . . 1 MET CB . 15012 1
5 . 1 1 22 22 MET N N 15 117.330 0.24 . 1 . . . . 1 MET N . 15012 1
6 . 1 1 23 23 GLN HA H 1 4.281 0.006 . 1 . . . . 2 GLN HA . 15012 1
7 . 1 1 23 23 GLN HB2 H 1 2.077 0.006 . 2 . . . . 2 GLN HB1 . 15012 1
8 . 1 1 23 23 GLN HB3 H 1 1.944 0.006 . 2 . . . . 2 GLN HB2 . 15012 1
9 . 1 1 23 23 GLN HG2 H 1 2.324 0.006 . 1 . . . . 2 GLN HG1 . 15012 1
10 . 1 1 23 23 GLN HG3 H 1 2.324 0.006 . 1 . . . . 2 GLN HG2 . 15012 1
11 . 1 1 23 23 GLN C C 13 174.886 0.16 . 1 . . . . 2 GLN C . 15012 1
12 . 1 1 23 23 GLN CA C 13 55.876 0.16 . 1 . . . . 2 GLN CA . 15012 1
13 . 1 1 23 23 GLN CB C 13 29.245 0.16 . 1 . . . . 2 GLN CB . 15012 1
14 . 1 1 23 23 GLN CG C 13 33.780 0.16 . 1 . . . . 2 GLN CG . 15012 1
15 . 1 1 24 24 HIS H H 1 7.434 0.006 . 1 . . . . 3 HIS HN . 15012 1
16 . 1 1 24 24 HIS HA H 1 4.751 0.006 . 1 . . . . 3 HIS HA . 15012 1
17 . 1 1 24 24 HIS HB2 H 1 3.243 0.006 . 2 . . . . 3 HIS HB1 . 15012 1
18 . 1 1 24 24 HIS HB3 H 1 3.166 0.006 . 2 . . . . 3 HIS HB2 . 15012 1
19 . 1 1 24 24 HIS HD2 H 1 7.276 0.006 . 3 . . . . 3 HIS HD2 . 15012 1
20 . 1 1 24 24 HIS CA C 13 54.207 0.16 . 1 . . . . 3 HIS CA . 15012 1
21 . 1 1 24 24 HIS CB C 13 30.791 0.16 . 1 . . . . 3 HIS CB . 15012 1
22 . 1 1 24 24 HIS N N 15 119.475 0.24 . 1 . . . . 3 HIS N . 15012 1
23 . 1 1 25 25 PRO HA H 1 4.480 0.006 . 1 . . . . 4 PRO HA . 15012 1
24 . 1 1 25 25 PRO HB2 H 1 1.858 0.006 . 2 . . . . 4 PRO HB1 . 15012 1
25 . 1 1 25 25 PRO HB3 H 1 1.414 0.006 . 2 . . . . 4 PRO HB2 . 15012 1
26 . 1 1 25 25 PRO HG2 H 1 1.610 0.006 . 2 . . . . 4 PRO HG1 . 15012 1
27 . 1 1 25 25 PRO HG3 H 1 0.665 0.006 . 2 . . . . 4 PRO HG2 . 15012 1
28 . 1 1 25 25 PRO HD2 H 1 3.509 0.006 . 2 . . . . 4 PRO HD1 . 15012 1
29 . 1 1 25 25 PRO HD3 H 1 3.392 0.006 . 2 . . . . 4 PRO HD2 . 15012 1
30 . 1 1 25 25 PRO C C 13 177.953 0.16 . 1 . . . . 4 PRO C . 15012 1
31 . 1 1 25 25 PRO CA C 13 63.595 0.16 . 1 . . . . 4 PRO CA . 15012 1
32 . 1 1 25 25 PRO CB C 13 31.771 0.16 . 1 . . . . 4 PRO CB . 15012 1
33 . 1 1 25 25 PRO CG C 13 25.842 0.16 . 1 . . . . 4 PRO CG . 15012 1
34 . 1 1 25 25 PRO CD C 13 50.680 0.16 . 1 . . . . 4 PRO CD . 15012 1
35 . 1 1 26 26 TYR H H 1 9.512 0.006 . 1 . . . . 5 TYR HN . 15012 1
36 . 1 1 26 26 TYR HA H 1 4.655 0.006 . 1 . . . . 5 TYR HA . 15012 1
37 . 1 1 26 26 TYR HB2 H 1 2.828 0.006 . 2 . . . . 5 TYR HB1 . 15012 1
38 . 1 1 26 26 TYR HB3 H 1 2.338 0.006 . 2 . . . . 5 TYR HB2 . 15012 1
39 . 1 1 26 26 TYR HD1 H 1 6.491 0.006 . 3 . . . . 5 TYR HD1 . 15012 1
40 . 1 1 26 26 TYR C C 13 174.211 0.16 . 1 . . . . 5 TYR C . 15012 1
41 . 1 1 26 26 TYR CA C 13 58.983 0.16 . 1 . . . . 5 TYR CA . 15012 1
42 . 1 1 26 26 TYR CB C 13 37.992 0.16 . 1 . . . . 5 TYR CB . 15012 1
43 . 1 1 26 26 TYR N N 15 122.043 0.24 . 1 . . . . 5 TYR N . 15012 1
44 . 1 1 27 27 VAL H H 1 7.135 0.006 . 1 . . . . 6 VAL HN . 15012 1
45 . 1 1 27 27 VAL HA H 1 3.797 0.006 . 1 . . . . 6 VAL HA . 15012 1
46 . 1 1 27 27 VAL HB H 1 1.992 0.006 . 1 . . . . 6 VAL HB . 15012 1
47 . 1 1 27 27 VAL HG11 H 1 1.055 0.006 . 2 . . . . 6 VAL HG11 . 15012 1
48 . 1 1 27 27 VAL HG12 H 1 1.055 0.006 . 2 . . . . 6 VAL HG11 . 15012 1
49 . 1 1 27 27 VAL HG13 H 1 1.055 0.006 . 2 . . . . 6 VAL HG11 . 15012 1
50 . 1 1 27 27 VAL HG21 H 1 0.724 0.006 . 2 . . . . 6 VAL HG21 . 15012 1
51 . 1 1 27 27 VAL HG22 H 1 0.724 0.006 . 2 . . . . 6 VAL HG21 . 15012 1
52 . 1 1 27 27 VAL HG23 H 1 0.724 0.006 . 2 . . . . 6 VAL HG21 . 15012 1
53 . 1 1 27 27 VAL C C 13 176.466 0.16 . 1 . . . . 6 VAL C . 15012 1
54 . 1 1 27 27 VAL CA C 13 64.368 0.16 . 1 . . . . 6 VAL CA . 15012 1
55 . 1 1 27 27 VAL CB C 13 31.878 0.16 . 1 . . . . 6 VAL CB . 15012 1
56 . 1 1 27 27 VAL CG1 C 13 21.599 0.16 . 1 . . . . 6 VAL CG1 . 15012 1
57 . 1 1 27 27 VAL CG2 C 13 22.690 0.16 . 1 . . . . 6 VAL CG2 . 15012 1
58 . 1 1 27 27 VAL N N 15 119.637 0.24 . 1 . . . . 6 VAL N . 15012 1
59 . 1 1 28 28 GLY H H 1 8.690 0.006 . 1 . . . . 7 GLY HN . 15012 1
60 . 1 1 28 28 GLY HA2 H 1 4.453 0.006 . 2 . . . . 7 GLY HA1 . 15012 1
61 . 1 1 28 28 GLY HA3 H 1 4.029 0.006 . 2 . . . . 7 GLY HA2 . 15012 1
62 . 1 1 28 28 GLY C C 13 170.684 0.16 . 1 . . . . 7 GLY C . 15012 1
63 . 1 1 28 28 GLY CA C 13 44.406 0.16 . 1 . . . . 7 GLY CA . 15012 1
64 . 1 1 28 28 GLY N N 15 115.402 0.24 . 1 . . . . 7 GLY N . 15012 1
65 . 1 1 29 29 ILE H H 1 8.593 0.006 . 1 . . . . 8 ILE HN . 15012 1
66 . 1 1 29 29 ILE HA H 1 4.747 0.006 . 1 . . . . 8 ILE HA . 15012 1
67 . 1 1 29 29 ILE HB H 1 1.679 0.006 . 1 . . . . 8 ILE HB . 15012 1
68 . 1 1 29 29 ILE HG12 H 1 1.638 0.006 . 1 . . . . 8 ILE HG11 . 15012 1
69 . 1 1 29 29 ILE HG13 H 1 0.943 0.006 . 1 . . . . 8 ILE HG12 . 15012 1
70 . 1 1 29 29 ILE HG21 H 1 0.799 0.006 . 1 . . . . 8 ILE HG21 . 15012 1
71 . 1 1 29 29 ILE HG22 H 1 0.799 0.006 . 1 . . . . 8 ILE HG21 . 15012 1
72 . 1 1 29 29 ILE HG23 H 1 0.799 0.006 . 1 . . . . 8 ILE HG21 . 15012 1
73 . 1 1 29 29 ILE HD11 H 1 0.870 0.006 . 1 . . . . 8 ILE HD11 . 15012 1
74 . 1 1 29 29 ILE HD12 H 1 0.870 0.006 . 1 . . . . 8 ILE HD11 . 15012 1
75 . 1 1 29 29 ILE HD13 H 1 0.870 0.006 . 1 . . . . 8 ILE HD11 . 15012 1
76 . 1 1 29 29 ILE C C 13 173.445 0.16 . 1 . . . . 8 ILE C . 15012 1
77 . 1 1 29 29 ILE CA C 13 61.336 0.16 . 1 . . . . 8 ILE CA . 15012 1
78 . 1 1 29 29 ILE CB C 13 39.065 0.16 . 1 . . . . 8 ILE CB . 15012 1
79 . 1 1 29 29 ILE CG1 C 13 28.453 0.16 . 2 . . . . 8 ILE CG1 . 15012 1
80 . 1 1 29 29 ILE CG2 C 13 18.271 0.16 . 1 . . . . 8 ILE CG2 . 15012 1
81 . 1 1 29 29 ILE CD1 C 13 13.522 0.16 . 1 . . . . 8 ILE CD1 . 15012 1
82 . 1 1 29 29 ILE N N 15 121.353 0.24 . 1 . . . . 8 ILE N . 15012 1
83 . 1 1 30 30 TRP H H 1 9.275 0.006 . 1 . . . . 9 TRP HN . 15012 1
84 . 1 1 30 30 TRP HA H 1 4.797 0.006 . 1 . . . . 9 TRP HA . 15012 1
85 . 1 1 30 30 TRP HB2 H 1 3.040 0.006 . 1 . . . . 9 TRP HB1 . 15012 1
86 . 1 1 30 30 TRP HB3 H 1 3.040 0.006 . 1 . . . . 9 TRP HB2 . 15012 1
87 . 1 1 30 30 TRP HD1 H 1 7.205 0.006 . 1 . . . . 9 TRP HD1 . 15012 1
88 . 1 1 30 30 TRP HE1 H 1 9.922 0.006 . 3 . . . . 9 TRP HE1 . 15012 1
89 . 1 1 30 30 TRP C C 13 175.837 0.16 . 1 . . . . 9 TRP C . 15012 1
90 . 1 1 30 30 TRP CA C 13 56.025 0.16 . 1 . . . . 9 TRP CA . 15012 1
91 . 1 1 30 30 TRP CB C 13 29.774 0.16 . 1 . . . . 9 TRP CB . 15012 1
92 . 1 1 30 30 TRP N N 15 130.638 0.24 . 1 . . . . 9 TRP N . 15012 1
93 . 1 1 30 30 TRP NE1 N 15 126.999 0.24 . 1 . . . . 9 TRP NE1 . 15012 1
94 . 1 1 31 31 VAL H H 1 9.470 0.006 . 1 . . . . 10 VAL HN . 15012 1
95 . 1 1 31 31 VAL HA H 1 5.883 0.006 . 1 . . . . 10 VAL HA . 15012 1
96 . 1 1 31 31 VAL HB H 1 2.221 0.006 . 1 . . . . 10 VAL HB . 15012 1
97 . 1 1 31 31 VAL HG11 H 1 1.330 0.006 . 2 . . . . 10 VAL HG11 . 15012 1
98 . 1 1 31 31 VAL HG12 H 1 1.330 0.006 . 2 . . . . 10 VAL HG11 . 15012 1
99 . 1 1 31 31 VAL HG13 H 1 1.330 0.006 . 2 . . . . 10 VAL HG11 . 15012 1
100 . 1 1 31 31 VAL HG21 H 1 1.125 0.006 . 2 . . . . 10 VAL HG21 . 15012 1
101 . 1 1 31 31 VAL HG22 H 1 1.125 0.006 . 2 . . . . 10 VAL HG21 . 15012 1
102 . 1 1 31 31 VAL HG23 H 1 1.125 0.006 . 2 . . . . 10 VAL HG21 . 15012 1
103 . 1 1 31 31 VAL C C 13 177.401 0.16 . 1 . . . . 10 VAL C . 15012 1
104 . 1 1 31 31 VAL CA C 13 60.135 0.16 . 1 . . . . 10 VAL CA . 15012 1
105 . 1 1 31 31 VAL CB C 13 36.128 0.16 . 1 . . . . 10 VAL CB . 15012 1
106 . 1 1 31 31 VAL CG1 C 13 21.059 0.16 . 1 . . . . 10 VAL CG1 . 15012 1
107 . 1 1 31 31 VAL CG2 C 13 21.914 0.16 . 1 . . . . 10 VAL CG2 . 15012 1
108 . 1 1 31 31 VAL N N 15 123.742 0.24 . 1 . . . . 10 VAL N . 15012 1
109 . 1 1 32 32 THR H H 1 8.345 0.006 . 1 . . . . 11 THR HN . 15012 1
110 . 1 1 32 32 THR HA H 1 4.742 0.006 . 1 . . . . 11 THR HA . 15012 1
111 . 1 1 32 32 THR HB H 1 4.495 0.006 . 1 . . . . 11 THR HB . 15012 1
112 . 1 1 32 32 THR HG21 H 1 0.497 0.006 . 1 . . . . 11 THR HG21 . 15012 1
113 . 1 1 32 32 THR HG22 H 1 0.497 0.006 . 1 . . . . 11 THR HG21 . 15012 1
114 . 1 1 32 32 THR HG23 H 1 0.497 0.006 . 1 . . . . 11 THR HG21 . 15012 1
115 . 1 1 32 32 THR C C 13 178.122 0.16 . 1 . . . . 11 THR C . 15012 1
116 . 1 1 32 32 THR CA C 13 62.298 0.16 . 1 . . . . 11 THR CA . 15012 1
117 . 1 1 32 32 THR CB C 13 69.953 0.16 . 1 . . . . 11 THR CB . 15012 1
118 . 1 1 32 32 THR CG2 C 13 23.168 0.16 . 1 . . . . 11 THR CG2 . 15012 1
119 . 1 1 32 32 THR N N 15 118.312 0.24 . 1 . . . . 11 THR N . 15012 1
120 . 1 1 33 33 ALA H H 1 9.477 0.006 . 1 . . . . 12 ALA HN . 15012 1
121 . 1 1 33 33 ALA HA H 1 4.600 0.006 . 1 . . . . 12 ALA HA . 15012 1
122 . 1 1 33 33 ALA HB1 H 1 1.588 0.006 . 1 . . . . 12 ALA HB1 . 15012 1
123 . 1 1 33 33 ALA HB2 H 1 1.588 0.006 . 1 . . . . 12 ALA HB1 . 15012 1
124 . 1 1 33 33 ALA HB3 H 1 1.588 0.006 . 1 . . . . 12 ALA HB1 . 15012 1
125 . 1 1 33 33 ALA C C 13 178.551 0.16 . 1 . . . . 12 ALA C . 15012 1
126 . 1 1 33 33 ALA CA C 13 55.419 0.16 . 1 . . . . 12 ALA CA . 15012 1
127 . 1 1 33 33 ALA CB C 13 18.678 0.16 . 1 . . . . 12 ALA CB . 15012 1
128 . 1 1 33 33 ALA N N 15 124.570 0.24 . 1 . . . . 12 ALA N . 15012 1
129 . 1 1 34 34 ASP H H 1 7.954 0.006 . 1 . . . . 13 ASP HN . 15012 1
130 . 1 1 34 34 ASP HA H 1 4.488 0.006 . 1 . . . . 13 ASP HA . 15012 1
131 . 1 1 34 34 ASP HB2 H 1 3.079 0.006 . 2 . . . . 13 ASP HB1 . 15012 1
132 . 1 1 34 34 ASP HB3 H 1 2.680 0.006 . 2 . . . . 13 ASP HB2 . 15012 1
133 . 1 1 34 34 ASP C C 13 177.600 0.16 . 1 . . . . 13 ASP C . 15012 1
134 . 1 1 34 34 ASP CA C 13 53.076 0.16 . 1 . . . . 13 ASP CA . 15012 1
135 . 1 1 34 34 ASP CB C 13 40.315 0.16 . 1 . . . . 13 ASP CB . 15012 1
136 . 1 1 34 34 ASP N N 15 112.970 0.24 . 1 . . . . 13 ASP N . 15012 1
137 . 1 1 35 35 GLY H H 1 8.256 0.006 . 1 . . . . 14 GLY HN . 15012 1
138 . 1 1 35 35 GLY HA2 H 1 4.110 0.006 . 2 . . . . 14 GLY HA1 . 15012 1
139 . 1 1 35 35 GLY HA3 H 1 3.666 0.006 . 2 . . . . 14 GLY HA2 . 15012 1
140 . 1 1 35 35 GLY C C 13 175.055 0.16 . 1 . . . . 14 GLY C . 15012 1
141 . 1 1 35 35 GLY CA C 13 45.475 0.16 . 1 . . . . 14 GLY CA . 15012 1
142 . 1 1 35 35 GLY N N 15 109.105 0.24 . 1 . . . . 14 GLY N . 15012 1
143 . 1 1 36 36 ARG H H 1 8.023 0.006 . 1 . . . . 15 ARG HN . 15012 1
144 . 1 1 36 36 ARG HA H 1 4.051 0.006 . 1 . . . . 15 ARG HA . 15012 1
145 . 1 1 36 36 ARG HB2 H 1 1.823 0.006 . 1 . . . . 15 ARG HB1 . 15012 1
146 . 1 1 36 36 ARG HB3 H 1 1.823 0.006 . 1 . . . . 15 ARG HB2 . 15012 1
147 . 1 1 36 36 ARG HG2 H 1 1.518 0.006 . 1 . . . . 15 ARG HG1 . 15012 1
148 . 1 1 36 36 ARG HG3 H 1 1.518 0.006 . 1 . . . . 15 ARG HG2 . 15012 1
149 . 1 1 36 36 ARG HD2 H 1 3.199 0.006 . 2 . . . . 15 ARG HD1 . 15012 1
150 . 1 1 36 36 ARG HD3 H 1 3.145 0.006 . 2 . . . . 15 ARG HD2 . 15012 1
151 . 1 1 36 36 ARG C C 13 176.328 0.16 . 1 . . . . 15 ARG C . 15012 1
152 . 1 1 36 36 ARG CA C 13 59.176 0.16 . 1 . . . . 15 ARG CA . 15012 1
153 . 1 1 36 36 ARG CB C 13 31.068 0.16 . 1 . . . . 15 ARG CB . 15012 1
154 . 1 1 36 36 ARG CG C 13 28.416 0.16 . 1 . . . . 15 ARG CG . 15012 1
155 . 1 1 36 36 ARG CD C 13 43.334 0.16 . 1 . . . . 15 ARG CD . 15012 1
156 . 1 1 36 36 ARG N N 15 118.629 0.24 . 1 . . . . 15 ARG N . 15012 1
157 . 1 1 37 37 ILE H H 1 7.544 0.006 . 1 . . . . 16 ILE HN . 15012 1
158 . 1 1 37 37 ILE HA H 1 4.986 0.006 . 1 . . . . 16 ILE HA . 15012 1
159 . 1 1 37 37 ILE HB H 1 1.992 0.006 . 1 . . . . 16 ILE HB . 15012 1
160 . 1 1 37 37 ILE HG12 H 1 1.588 0.006 . 1 . . . . 16 ILE HG11 . 15012 1
161 . 1 1 37 37 ILE HG13 H 1 0.956 0.006 . 1 . . . . 16 ILE HG12 . 15012 1
162 . 1 1 37 37 ILE HG21 H 1 1.188 0.006 . 1 . . . . 16 ILE HG21 . 15012 1
163 . 1 1 37 37 ILE HG22 H 1 1.188 0.006 . 1 . . . . 16 ILE HG21 . 15012 1
164 . 1 1 37 37 ILE HG23 H 1 1.188 0.006 . 1 . . . . 16 ILE HG21 . 15012 1
165 . 1 1 37 37 ILE HD11 H 1 0.838 0.006 . 1 . . . . 16 ILE HD11 . 15012 1
166 . 1 1 37 37 ILE HD12 H 1 0.838 0.006 . 1 . . . . 16 ILE HD11 . 15012 1
167 . 1 1 37 37 ILE HD13 H 1 0.838 0.006 . 1 . . . . 16 ILE HD11 . 15012 1
168 . 1 1 37 37 ILE C C 13 174.150 0.16 . 1 . . . . 16 ILE C . 15012 1
169 . 1 1 37 37 ILE CA C 13 61.631 0.16 . 1 . . . . 16 ILE CA . 15012 1
170 . 1 1 37 37 ILE CB C 13 38.621 0.16 . 1 . . . . 16 ILE CB . 15012 1
171 . 1 1 37 37 ILE CG1 C 13 27.258 0.16 . 2 . . . . 16 ILE CG1 . 15012 1
172 . 1 1 37 37 ILE CG2 C 13 18.508 0.16 . 1 . . . . 16 ILE CG2 . 15012 1
173 . 1 1 37 37 ILE CD1 C 13 12.534 0.16 . 1 . . . . 16 ILE CD1 . 15012 1
174 . 1 1 37 37 ILE N N 15 118.068 0.24 . 1 . . . . 16 ILE N . 15012 1
175 . 1 1 38 38 ARG H H 1 8.463 0.006 . 1 . . . . 17 ARG HN . 15012 1
176 . 1 1 38 38 ARG HA H 1 5.367 0.006 . 1 . . . . 17 ARG HA . 15012 1
177 . 1 1 38 38 ARG HB2 H 1 1.809 0.006 . 1 . . . . 17 ARG HB1 . 15012 1
178 . 1 1 38 38 ARG HB3 H 1 1.809 0.006 . 1 . . . . 17 ARG HB2 . 15012 1
179 . 1 1 38 38 ARG HG2 H 1 1.615 0.006 . 2 . . . . 17 ARG HG1 . 15012 1
180 . 1 1 38 38 ARG HG3 H 1 1.510 0.006 . 2 . . . . 17 ARG HG2 . 15012 1
181 . 1 1 38 38 ARG HD2 H 1 3.377 0.006 . 2 . . . . 17 ARG HD1 . 15012 1
182 . 1 1 38 38 ARG HD3 H 1 3.174 0.006 . 2 . . . . 17 ARG HD2 . 15012 1
183 . 1 1 38 38 ARG C C 13 174.763 0.16 . 1 . . . . 17 ARG C . 15012 1
184 . 1 1 38 38 ARG CA C 13 54.341 0.16 . 1 . . . . 17 ARG CA . 15012 1
185 . 1 1 38 38 ARG CB C 13 33.380 0.16 . 1 . . . . 17 ARG CB . 15012 1
186 . 1 1 38 38 ARG CG C 13 27.192 0.16 . 1 . . . . 17 ARG CG . 15012 1
187 . 1 1 38 38 ARG CD C 13 43.522 0.16 . 1 . . . . 17 ARG CD . 15012 1
188 . 1 1 38 38 ARG N N 15 125.328 0.24 . 1 . . . . 17 ARG N . 15012 1
189 . 1 1 39 39 GLN H H 1 10.500 0.006 . 1 . . . . 18 GLN HN . 15012 1
190 . 1 1 39 39 GLN HA H 1 5.041 0.006 . 1 . . . . 18 GLN HA . 15012 1
191 . 1 1 39 39 GLN HB2 H 1 2.044 0.006 . 2 . . . . 18 GLN HB1 . 15012 1
192 . 1 1 39 39 GLN HB3 H 1 1.831 0.006 . 2 . . . . 18 GLN HB2 . 15012 1
193 . 1 1 39 39 GLN HG2 H 1 2.046 0.006 . 2 . . . . 18 GLN HG1 . 15012 1
194 . 1 1 39 39 GLN HG3 H 1 1.676 0.006 . 2 . . . . 18 GLN HG2 . 15012 1
195 . 1 1 39 39 GLN C C 13 173.445 0.16 . 1 . . . . 18 GLN C . 15012 1
196 . 1 1 39 39 GLN CA C 13 55.532 0.16 . 1 . . . . 18 GLN CA . 15012 1
197 . 1 1 39 39 GLN CB C 13 33.251 0.16 . 1 . . . . 18 GLN CB . 15012 1
198 . 1 1 39 39 GLN CG C 13 35.440 0.16 . 1 . . . . 18 GLN CG . 15012 1
199 . 1 1 39 39 GLN N N 15 128.719 0.24 . 1 . . . . 18 GLN N . 15012 1
200 . 1 1 40 40 GLU H H 1 9.509 0.006 . 1 . . . . 19 GLU HN . 15012 1
201 . 1 1 40 40 GLU HA H 1 5.182 0.006 . 1 . . . . 19 GLU HA . 15012 1
202 . 1 1 40 40 GLU HB2 H 1 2.361 0.006 . 2 . . . . 19 GLU HB1 . 15012 1
203 . 1 1 40 40 GLU HB3 H 1 1.970 0.006 . 2 . . . . 19 GLU HB2 . 15012 1
204 . 1 1 40 40 GLU HG2 H 1 2.251 0.006 . 2 . . . . 19 GLU HG1 . 15012 1
205 . 1 1 40 40 GLU HG3 H 1 2.141 0.006 . 2 . . . . 19 GLU HG2 . 15012 1
206 . 1 1 40 40 GLU C C 13 174.978 0.16 . 1 . . . . 19 GLU C . 15012 1
207 . 1 1 40 40 GLU CA C 13 55.447 0.16 . 1 . . . . 19 GLU CA . 15012 1
208 . 1 1 40 40 GLU CB C 13 31.242 0.16 . 1 . . . . 19 GLU CB . 15012 1
209 . 1 1 40 40 GLU CG C 13 36.731 0.16 . 1 . . . . 19 GLU CG . 15012 1
210 . 1 1 40 40 GLU N N 15 127.975 0.24 . 1 . . . . 19 GLU N . 15012 1
211 . 1 1 41 41 LEU H H 1 9.214 0.006 . 1 . . . . 20 LEU HN . 15012 1
212 . 1 1 41 41 LEU HA H 1 4.607 0.006 . 1 . . . . 20 LEU HA . 15012 1
213 . 1 1 41 41 LEU HB2 H 1 2.222 0.006 . 2 . . . . 20 LEU HB1 . 15012 1
214 . 1 1 41 41 LEU HB3 H 1 1.031 0.006 . 2 . . . . 20 LEU HB2 . 15012 1
215 . 1 1 41 41 LEU HG H 1 1.467 0.006 . 1 . . . . 20 LEU HG . 15012 1
216 . 1 1 41 41 LEU HD11 H 1 0.230 0.006 . 2 . . . . 20 LEU HD11 . 15012 1
217 . 1 1 41 41 LEU HD12 H 1 0.230 0.006 . 2 . . . . 20 LEU HD11 . 15012 1
218 . 1 1 41 41 LEU HD13 H 1 0.230 0.006 . 2 . . . . 20 LEU HD11 . 15012 1
219 . 1 1 41 41 LEU HD21 H 1 -0.135 0.006 . 2 . . . . 20 LEU HD21 . 15012 1
220 . 1 1 41 41 LEU HD22 H 1 -0.135 0.006 . 2 . . . . 20 LEU HD21 . 15012 1
221 . 1 1 41 41 LEU HD23 H 1 -0.135 0.006 . 2 . . . . 20 LEU HD21 . 15012 1
222 . 1 1 41 41 LEU C C 13 176.818 0.16 . 1 . . . . 20 LEU C . 15012 1
223 . 1 1 41 41 LEU CA C 13 53.738 0.16 . 1 . . . . 20 LEU CA . 15012 1
224 . 1 1 41 41 LEU CB C 13 40.156 0.16 . 1 . . . . 20 LEU CB . 15012 1
225 . 1 1 41 41 LEU CG C 13 26.356 0.16 . 1 . . . . 20 LEU CG . 15012 1
226 . 1 1 41 41 LEU CD1 C 13 24.758 0.16 . 1 . . . . 20 LEU CD1 . 15012 1
227 . 1 1 41 41 LEU CD2 C 13 21.666 0.16 . 1 . . . . 20 LEU CD2 . 15012 1
228 . 1 1 41 41 LEU N N 15 126.645 0.24 . 1 . . . . 20 LEU N . 15012 1
229 . 1 1 42 42 LEU H H 1 8.854 0.006 . 1 . . . . 21 LEU HN . 15012 1
230 . 1 1 42 42 LEU HA H 1 4.967 0.006 . 1 . . . . 21 LEU HA . 15012 1
231 . 1 1 42 42 LEU HB2 H 1 2.627 0.006 . 2 . . . . 21 LEU HB1 . 15012 1
232 . 1 1 42 42 LEU HB3 H 1 1.667 0.006 . 2 . . . . 21 LEU HB2 . 15012 1
233 . 1 1 42 42 LEU HG H 1 1.745 0.006 . 1 . . . . 21 LEU HG . 15012 1
234 . 1 1 42 42 LEU HD11 H 1 1.012 0.006 . 2 . . . . 21 LEU HD11 . 15012 1
235 . 1 1 42 42 LEU HD12 H 1 1.012 0.006 . 2 . . . . 21 LEU HD11 . 15012 1
236 . 1 1 42 42 LEU HD13 H 1 1.012 0.006 . 2 . . . . 21 LEU HD11 . 15012 1
237 . 1 1 42 42 LEU HD21 H 1 0.962 0.006 . 2 . . . . 21 LEU HD21 . 15012 1
238 . 1 1 42 42 LEU HD22 H 1 0.962 0.006 . 2 . . . . 21 LEU HD21 . 15012 1
239 . 1 1 42 42 LEU HD23 H 1 0.962 0.006 . 2 . . . . 21 LEU HD21 . 15012 1
240 . 1 1 42 42 LEU CA C 13 54.615 0.16 . 1 . . . . 21 LEU CA . 15012 1
241 . 1 1 42 42 LEU CB C 13 41.521 0.16 . 1 . . . . 21 LEU CB . 15012 1
242 . 1 1 42 42 LEU CG C 13 28.834 0.16 . 1 . . . . 21 LEU CG . 15012 1
243 . 1 1 42 42 LEU CD1 C 13 24.159 0.16 . 1 . . . . 21 LEU CD1 . 15012 1
244 . 1 1 42 42 LEU CD2 C 13 25.021 0.16 . 1 . . . . 21 LEU CD2 . 15012 1
245 . 1 1 42 42 LEU N N 15 124.003 0.24 . 1 . . . . 21 LEU N . 15012 1
246 . 1 1 43 43 PRO HA H 1 4.431 0.006 . 1 . . . . 22 PRO HA . 15012 1
247 . 1 1 43 43 PRO HB2 H 1 2.323 0.006 . 2 . . . . 22 PRO HB1 . 15012 1
248 . 1 1 43 43 PRO HB3 H 1 2.124 0.006 . 2 . . . . 22 PRO HB2 . 15012 1
249 . 1 1 43 43 PRO HG2 H 1 2.125 0.006 . 1 . . . . 22 PRO HG1 . 15012 1
250 . 1 1 43 43 PRO HG3 H 1 2.125 0.006 . 1 . . . . 22 PRO HG2 . 15012 1
251 . 1 1 43 43 PRO HD2 H 1 3.981 0.006 . 2 . . . . 22 PRO HD1 . 15012 1
252 . 1 1 43 43 PRO HD3 H 1 3.897 0.006 . 2 . . . . 22 PRO HD2 . 15012 1
253 . 1 1 43 43 PRO C C 13 175.392 0.16 . 1 . . . . 22 PRO C . 15012 1
254 . 1 1 43 43 PRO CA C 13 64.833 0.16 . 1 . . . . 22 PRO CA . 15012 1
255 . 1 1 43 43 PRO CB C 13 31.689 0.16 . 1 . . . . 22 PRO CB . 15012 1
256 . 1 1 43 43 PRO CG C 13 27.367 0.16 . 1 . . . . 22 PRO CG . 15012 1
257 . 1 1 43 43 PRO CD C 13 50.899 0.16 . 1 . . . . 22 PRO CD . 15012 1
258 . 1 1 44 44 ASN H H 1 7.589 0.006 . 1 . . . . 23 ASN HN . 15012 1
259 . 1 1 44 44 ASN HA H 1 4.656 0.006 . 1 . . . . 23 ASN HA . 15012 1
260 . 1 1 44 44 ASN HB2 H 1 3.248 0.006 . 2 . . . . 23 ASN HB1 . 15012 1
261 . 1 1 44 44 ASN HB3 H 1 2.790 0.006 . 2 . . . . 23 ASN HB2 . 15012 1
262 . 1 1 44 44 ASN C C 13 176.481 0.16 . 1 . . . . 23 ASN C . 15012 1
263 . 1 1 44 44 ASN CA C 13 52.496 0.16 . 1 . . . . 23 ASN CA . 15012 1
264 . 1 1 44 44 ASN CB C 13 37.366 0.16 . 1 . . . . 23 ASN CB . 15012 1
265 . 1 1 44 44 ASN N N 15 114.337 0.24 . 1 . . . . 23 ASN N . 15012 1
266 . 1 1 45 45 GLY H H 1 7.791 0.006 . 1 . . . . 24 GLY HN . 15012 1
267 . 1 1 45 45 GLY HA2 H 1 4.079 0.006 . 2 . . . . 24 GLY HA1 . 15012 1
268 . 1 1 45 45 GLY HA3 H 1 3.155 0.006 . 2 . . . . 24 GLY HA2 . 15012 1
269 . 1 1 45 45 GLY C C 13 172.969 0.16 . 1 . . . . 24 GLY C . 15012 1
270 . 1 1 45 45 GLY CA C 13 46.362 0.16 . 1 . . . . 24 GLY CA . 15012 1
271 . 1 1 45 45 GLY N N 15 106.221 0.24 . 1 . . . . 24 GLY N . 15012 1
272 . 1 1 46 46 ARG H H 1 7.528 0.006 . 1 . . . . 25 ARG HN . 15012 1
273 . 1 1 46 46 ARG HA H 1 5.640 0.006 . 1 . . . . 25 ARG HA . 15012 1
274 . 1 1 46 46 ARG HB2 H 1 2.173 0.006 . 2 . . . . 25 ARG HB1 . 15012 1
275 . 1 1 46 46 ARG HB3 H 1 2.054 0.006 . 2 . . . . 25 ARG HB2 . 15012 1
276 . 1 1 46 46 ARG HG2 H 1 1.697 0.006 . 2 . . . . 25 ARG HG1 . 15012 1
277 . 1 1 46 46 ARG HG3 H 1 1.514 0.006 . 2 . . . . 25 ARG HG2 . 15012 1
278 . 1 1 46 46 ARG HD2 H 1 3.105 0.006 . 1 . . . . 25 ARG HD1 . 15012 1
279 . 1 1 46 46 ARG HD3 H 1 3.105 0.006 . 1 . . . . 25 ARG HD2 . 15012 1
280 . 1 1 46 46 ARG C C 13 175.177 0.16 . 1 . . . . 25 ARG C . 15012 1
281 . 1 1 46 46 ARG CA C 13 52.739 0.16 . 1 . . . . 25 ARG CA . 15012 1
282 . 1 1 46 46 ARG CB C 13 30.354 0.16 . 1 . . . . 25 ARG CB . 15012 1
283 . 1 1 46 46 ARG CG C 13 25.589 0.16 . 1 . . . . 25 ARG CG . 15012 1
284 . 1 1 46 46 ARG CD C 13 41.121 0.16 . 1 . . . . 25 ARG CD . 15012 1
285 . 1 1 46 46 ARG N N 15 118.166 0.24 . 1 . . . . 25 ARG N . 15012 1
286 . 1 1 47 47 TYR H H 1 8.775 0.006 . 1 . . . . 26 TYR HN . 15012 1
287 . 1 1 47 47 TYR HA H 1 6.184 0.006 . 1 . . . . 26 TYR HA . 15012 1
288 . 1 1 47 47 TYR HB2 H 1 2.886 0.006 . 2 . . . . 26 TYR HB1 . 15012 1
289 . 1 1 47 47 TYR HB3 H 1 2.681 0.006 . 2 . . . . 26 TYR HB2 . 15012 1
290 . 1 1 47 47 TYR HD1 H 1 6.648 0.006 . 3 . . . . 26 TYR HD1 . 15012 1
291 . 1 1 47 47 TYR C C 13 174.625 0.16 . 1 . . . . 26 TYR C . 15012 1
292 . 1 1 47 47 TYR CA C 13 55.125 0.16 . 1 . . . . 26 TYR CA . 15012 1
293 . 1 1 47 47 TYR CB C 13 43.403 0.16 . 1 . . . . 26 TYR CB . 15012 1
294 . 1 1 47 47 TYR N N 15 114.866 0.24 . 1 . . . . 26 TYR N . 15012 1
295 . 1 1 48 48 ASP H H 1 8.801 0.006 . 1 . . . . 27 ASP HN . 15012 1
296 . 1 1 48 48 ASP HA H 1 5.204 0.006 . 1 . . . . 27 ASP HA . 15012 1
297 . 1 1 48 48 ASP HB2 H 1 2.908 0.006 . 2 . . . . 27 ASP HB1 . 15012 1
298 . 1 1 48 48 ASP HB3 H 1 2.544 0.006 . 2 . . . . 27 ASP HB2 . 15012 1
299 . 1 1 48 48 ASP C C 13 174.441 0.16 . 1 . . . . 27 ASP C . 15012 1
300 . 1 1 48 48 ASP CA C 13 53.949 0.16 . 1 . . . . 27 ASP CA . 15012 1
301 . 1 1 48 48 ASP CB C 13 45.595 0.16 . 1 . . . . 27 ASP CB . 15012 1
302 . 1 1 48 48 ASP N N 15 123.213 0.24 . 1 . . . . 27 ASP N . 15012 1
303 . 1 1 49 49 GLU H H 1 9.547 0.006 . 1 . . . . 28 GLU HN . 15012 1
304 . 1 1 49 49 GLU HA H 1 5.743 0.006 . 1 . . . . 28 GLU HA . 15012 1
305 . 1 1 49 49 GLU HB2 H 1 2.507 0.006 . 2 . . . . 28 GLU HB1 . 15012 1
306 . 1 1 49 49 GLU HB3 H 1 2.050 0.006 . 2 . . . . 28 GLU HB2 . 15012 1
307 . 1 1 49 49 GLU HG2 H 1 2.194 0.006 . 2 . . . . 28 GLU HG1 . 15012 1
308 . 1 1 49 49 GLU HG3 H 1 2.028 0.006 . 2 . . . . 28 GLU HG2 . 15012 1
309 . 1 1 49 49 GLU C C 13 174.027 0.16 . 1 . . . . 28 GLU C . 15012 1
310 . 1 1 49 49 GLU CA C 13 55.221 0.16 . 1 . . . . 28 GLU CA . 15012 1
311 . 1 1 49 49 GLU CB C 13 35.520 0.16 . 1 . . . . 28 GLU CB . 15012 1
312 . 1 1 49 49 GLU CG C 13 39.426 0.16 . 1 . . . . 28 GLU CG . 15012 1
313 . 1 1 49 49 GLU N N 15 129.028 0.24 . 1 . . . . 28 GLU N . 15012 1
314 . 1 1 50 50 ALA H H 1 9.255 0.006 . 1 . . . . 29 ALA HN . 15012 1
315 . 1 1 50 50 ALA HA H 1 5.223 0.006 . 1 . . . . 29 ALA HA . 15012 1
316 . 1 1 50 50 ALA HB1 H 1 1.584 0.006 . 1 . . . . 29 ALA HB1 . 15012 1
317 . 1 1 50 50 ALA HB2 H 1 1.584 0.006 . 1 . . . . 29 ALA HB1 . 15012 1
318 . 1 1 50 50 ALA HB3 H 1 1.584 0.006 . 1 . . . . 29 ALA HB1 . 15012 1
319 . 1 1 50 50 ALA C C 13 177.186 0.16 . 1 . . . . 29 ALA C . 15012 1
320 . 1 1 50 50 ALA CA C 13 50.588 0.16 . 1 . . . . 29 ALA CA . 15012 1
321 . 1 1 50 50 ALA CB C 13 22.001 0.16 . 1 . . . . 29 ALA CB . 15012 1
322 . 1 1 50 50 ALA N N 15 129.948 0.24 . 1 . . . . 29 ALA N . 15012 1
323 . 1 1 51 51 ARG H H 1 8.213 0.006 . 1 . . . . 30 ARG HN . 15012 1
324 . 1 1 51 51 ARG HA H 1 5.158 0.006 . 1 . . . . 30 ARG HA . 15012 1
325 . 1 1 51 51 ARG HB2 H 1 1.825 0.006 . 1 . . . . 30 ARG HB1 . 15012 1
326 . 1 1 51 51 ARG HB3 H 1 1.825 0.006 . 1 . . . . 30 ARG HB2 . 15012 1
327 . 1 1 51 51 ARG HG2 H 1 1.816 0.006 . 2 . . . . 30 ARG HG1 . 15012 1
328 . 1 1 51 51 ARG HG3 H 1 1.770 0.006 . 2 . . . . 30 ARG HG2 . 15012 1
329 . 1 1 51 51 ARG HD2 H 1 3.284 0.006 . 1 . . . . 30 ARG HD1 . 15012 1
330 . 1 1 51 51 ARG HD3 H 1 3.284 0.006 . 1 . . . . 30 ARG HD2 . 15012 1
331 . 1 1 51 51 ARG C C 13 176.956 0.16 . 1 . . . . 30 ARG C . 15012 1
332 . 1 1 51 51 ARG CA C 13 54.101 0.16 . 1 . . . . 30 ARG CA . 15012 1
333 . 1 1 51 51 ARG CB C 13 32.082 0.16 . 1 . . . . 30 ARG CB . 15012 1
334 . 1 1 51 51 ARG CG C 13 28.301 0.16 . 1 . . . . 30 ARG CG . 15012 1
335 . 1 1 51 51 ARG CD C 13 43.908 0.16 . 1 . . . . 30 ARG CD . 15012 1
336 . 1 1 51 51 ARG N N 15 118.910 0.24 . 1 . . . . 30 ARG N . 15012 1
337 . 1 1 52 52 GLY H H 1 9.318 0.006 . 1 . . . . 31 GLY HN . 15012 1
338 . 1 1 52 52 GLY CA C 13 47.047 0.16 . 1 . . . . 31 GLY CA . 15012 1
339 . 1 1 52 52 GLY N N 15 115.677 0.24 . 1 . . . . 31 GLY N . 15012 1
340 . 1 1 53 53 ASN HA H 1 4.654 0.006 . 1 . . . . 32 ASN HA . 15012 1
341 . 1 1 53 53 ASN HB2 H 1 2.945 0.006 . 1 . . . . 32 ASN HB1 . 15012 1
342 . 1 1 53 53 ASN HB3 H 1 2.945 0.006 . 1 . . . . 32 ASN HB2 . 15012 1
343 . 1 1 53 53 ASN C C 13 174.579 0.16 . 1 . . . . 32 ASN C . 15012 1
344 . 1 1 53 53 ASN CA C 13 53.494 0.16 . 1 . . . . 32 ASN CA . 15012 1
345 . 1 1 53 53 ASN CB C 13 38.148 0.16 . 1 . . . . 32 ASN CB . 15012 1
346 . 1 1 54 54 ARG H H 1 8.156 0.006 . 1 . . . . 33 ARG HN . 15012 1
347 . 1 1 54 54 ARG HA H 1 4.475 0.006 . 1 . . . . 33 ARG HA . 15012 1
348 . 1 1 54 54 ARG HB2 H 1 2.028 0.006 . 2 . . . . 33 ARG HB1 . 15012 1
349 . 1 1 54 54 ARG HB3 H 1 1.938 0.006 . 2 . . . . 33 ARG HB2 . 15012 1
350 . 1 1 54 54 ARG HG2 H 1 1.666 0.006 . 2 . . . . 33 ARG HG1 . 15012 1
351 . 1 1 54 54 ARG HG3 H 1 1.545 0.006 . 2 . . . . 33 ARG HG2 . 15012 1
352 . 1 1 54 54 ARG HD2 H 1 3.240 0.006 . 1 . . . . 33 ARG HD1 . 15012 1
353 . 1 1 54 54 ARG HD3 H 1 3.240 0.006 . 1 . . . . 33 ARG HD2 . 15012 1
354 . 1 1 54 54 ARG C C 13 174.809 0.16 . 1 . . . . 33 ARG C . 15012 1
355 . 1 1 54 54 ARG CA C 13 55.419 0.16 . 1 . . . . 33 ARG CA . 15012 1
356 . 1 1 54 54 ARG CB C 13 30.051 0.16 . 1 . . . . 33 ARG CB . 15012 1
357 . 1 1 54 54 ARG CG C 13 27.138 0.16 . 1 . . . . 33 ARG CG . 15012 1
358 . 1 1 54 54 ARG CD C 13 43.588 0.16 . 1 . . . . 33 ARG CD . 15012 1
359 . 1 1 54 54 ARG N N 15 121.648 0.24 . 1 . . . . 33 ARG N . 15012 1
360 . 1 1 55 55 LYS H H 1 8.264 0.006 . 1 . . . . 34 LYS HN . 15012 1
361 . 1 1 55 55 LYS HA H 1 4.190 0.006 . 1 . . . . 34 LYS HA . 15012 1
362 . 1 1 55 55 LYS HB2 H 1 1.888 0.006 . 2 . . . . 34 LYS HB1 . 15012 1
363 . 1 1 55 55 LYS HB3 H 1 1.783 0.006 . 2 . . . . 34 LYS HB2 . 15012 1
364 . 1 1 55 55 LYS HG2 H 1 1.577 0.006 . 2 . . . . 34 LYS HG1 . 15012 1
365 . 1 1 55 55 LYS HG3 H 1 1.501 0.006 . 2 . . . . 34 LYS HG2 . 15012 1
366 . 1 1 55 55 LYS HD2 H 1 1.708 0.006 . 1 . . . . 34 LYS HD1 . 15012 1
367 . 1 1 55 55 LYS HD3 H 1 1.708 0.006 . 1 . . . . 34 LYS HD2 . 15012 1
368 . 1 1 55 55 LYS HE2 H 1 3.033 0.006 . 1 . . . . 34 LYS HE1 . 15012 1
369 . 1 1 55 55 LYS HE3 H 1 3.033 0.006 . 1 . . . . 34 LYS HE2 . 15012 1
370 . 1 1 55 55 LYS C C 13 176.987 0.16 . 1 . . . . 34 LYS C . 15012 1
371 . 1 1 55 55 LYS CA C 13 56.597 0.16 . 1 . . . . 34 LYS CA . 15012 1
372 . 1 1 55 55 LYS CB C 13 32.512 0.16 . 1 . . . . 34 LYS CB . 15012 1
373 . 1 1 55 55 LYS CG C 13 25.161 0.16 . 1 . . . . 34 LYS CG . 15012 1
374 . 1 1 55 55 LYS CD C 13 28.901 0.16 . 1 . . . . 34 LYS CD . 15012 1
375 . 1 1 55 55 LYS CE C 13 42.075 0.16 . 1 . . . . 34 LYS CE . 15012 1
376 . 1 1 55 55 LYS N N 15 125.920 0.24 . 1 . . . . 34 LYS N . 15012 1
377 . 1 1 56 56 SER H H 1 9.054 0.006 . 1 . . . . 35 SER HN . 15012 1
378 . 1 1 56 56 SER HA H 1 4.132 0.006 . 1 . . . . 35 SER HA . 15012 1
379 . 1 1 56 56 SER HB2 H 1 3.885 0.006 . 2 . . . . 35 SER HB1 . 15012 1
380 . 1 1 56 56 SER HB3 H 1 3.760 0.006 . 2 . . . . 35 SER HB2 . 15012 1
381 . 1 1 56 56 SER C C 13 174.319 0.16 . 1 . . . . 35 SER C . 15012 1
382 . 1 1 56 56 SER CA C 13 58.175 0.16 . 1 . . . . 35 SER CA . 15012 1
383 . 1 1 56 56 SER CB C 13 61.126 0.16 . 1 . . . . 35 SER CB . 15012 1
384 . 1 1 56 56 SER N N 15 116.652 0.24 . 1 . . . . 35 SER N . 15012 1
385 . 1 1 57 57 ALA H H 1 8.461 0.006 . 1 . . . . 36 ALA HN . 15012 1
386 . 1 1 57 57 ALA HA H 1 3.887 0.006 . 1 . . . . 36 ALA HA . 15012 1
387 . 1 1 57 57 ALA HB1 H 1 1.379 0.006 . 1 . . . . 36 ALA HB1 . 15012 1
388 . 1 1 57 57 ALA HB2 H 1 1.379 0.006 . 1 . . . . 36 ALA HB1 . 15012 1
389 . 1 1 57 57 ALA HB3 H 1 1.379 0.006 . 1 . . . . 36 ALA HB1 . 15012 1
390 . 1 1 57 57 ALA C C 13 177.539 0.16 . 1 . . . . 36 ALA C . 15012 1
391 . 1 1 57 57 ALA CA C 13 54.101 0.16 . 1 . . . . 36 ALA CA . 15012 1
392 . 1 1 57 57 ALA CB C 13 19.346 0.16 . 1 . . . . 36 ALA CB . 15012 1
393 . 1 1 57 57 ALA N N 15 124.435 0.24 . 1 . . . . 36 ALA N . 15012 1
394 . 1 1 58 58 TYR H H 1 8.135 0.006 . 1 . . . . 37 TYR HN . 15012 1
395 . 1 1 58 58 TYR HA H 1 4.955 0.006 . 1 . . . . 37 TYR HA . 15012 1
396 . 1 1 58 58 TYR HB2 H 1 3.833 0.006 . 2 . . . . 37 TYR HB1 . 15012 1
397 . 1 1 58 58 TYR HB3 H 1 2.563 0.006 . 2 . . . . 37 TYR HB2 . 15012 1
398 . 1 1 58 58 TYR HD1 H 1 7.332 0.006 . 3 . . . . 37 TYR HD1 . 15012 1
399 . 1 1 58 58 TYR HE1 H 1 7.230 0.006 . 3 . . . . 37 TYR HE1 . 15012 1
400 . 1 1 58 58 TYR C C 13 173.920 0.16 . 1 . . . . 37 TYR C . 15012 1
401 . 1 1 58 58 TYR CA C 13 57.665 0.16 . 1 . . . . 37 TYR CA . 15012 1
402 . 1 1 58 58 TYR CB C 13 41.557 0.16 . 1 . . . . 37 TYR CB . 15012 1
403 . 1 1 58 58 TYR N N 15 112.868 0.24 . 1 . . . . 37 TYR N . 15012 1
404 . 1 1 59 59 GLN H H 1 8.914 0.006 . 1 . . . . 38 GLN HN . 15012 1
405 . 1 1 59 59 GLN HA H 1 4.467 0.006 . 1 . . . . 38 GLN HA . 15012 1
406 . 1 1 59 59 GLN HB2 H 1 2.106 0.006 . 2 . . . . 38 GLN HB1 . 15012 1
407 . 1 1 59 59 GLN HB3 H 1 1.961 0.006 . 2 . . . . 38 GLN HB2 . 15012 1
408 . 1 1 59 59 GLN HG2 H 1 2.495 0.006 . 2 . . . . 38 GLN HG1 . 15012 1
409 . 1 1 59 59 GLN HG3 H 1 2.187 0.006 . 2 . . . . 38 GLN HG2 . 15012 1
410 . 1 1 59 59 GLN C C 13 173.169 0.16 . 1 . . . . 38 GLN C . 15012 1
411 . 1 1 59 59 GLN CA C 13 54.357 0.16 . 1 . . . . 38 GLN CA . 15012 1
412 . 1 1 59 59 GLN CB C 13 33.370 0.16 . 1 . . . . 38 GLN CB . 15012 1
413 . 1 1 59 59 GLN CG C 13 33.777 0.16 . 1 . . . . 38 GLN CG . 15012 1
414 . 1 1 59 59 GLN N N 15 118.945 0.24 . 1 . . . . 38 GLN N . 15012 1
415 . 1 1 60 60 GLY H H 1 6.386 0.006 . 1 . . . . 39 GLY HN . 15012 1
416 . 1 1 60 60 GLY HA2 H 1 4.151 0.006 . 1 . . . . 39 GLY HA1 . 15012 1
417 . 1 1 60 60 GLY HA3 H 1 4.151 0.006 . 1 . . . . 39 GLY HA2 . 15012 1
418 . 1 1 60 60 GLY C C 13 171.727 0.16 . 1 . . . . 39 GLY C . 15012 1
419 . 1 1 60 60 GLY CA C 13 46.668 0.16 . 1 . . . . 39 GLY CA . 15012 1
420 . 1 1 60 60 GLY N N 15 105.998 0.24 . 1 . . . . 39 GLY N . 15012 1
421 . 1 1 61 61 ARG H H 1 8.819 0.006 . 1 . . . . 40 ARG HN . 15012 1
422 . 1 1 61 61 ARG HA H 1 5.868 0.006 . 1 . . . . 40 ARG HA . 15012 1
423 . 1 1 61 61 ARG HB2 H 1 1.957 0.006 . 2 . . . . 40 ARG HB1 . 15012 1
424 . 1 1 61 61 ARG HB3 H 1 1.859 0.006 . 2 . . . . 40 ARG HB2 . 15012 1
425 . 1 1 61 61 ARG HG2 H 1 1.731 0.006 . 1 . . . . 40 ARG HG1 . 15012 1
426 . 1 1 61 61 ARG HG3 H 1 1.731 0.006 . 1 . . . . 40 ARG HG2 . 15012 1
427 . 1 1 61 61 ARG HD2 H 1 3.044 0.006 . 1 . . . . 40 ARG HD1 . 15012 1
428 . 1 1 61 61 ARG HD3 H 1 3.044 0.006 . 1 . . . . 40 ARG HD2 . 15012 1
429 . 1 1 61 61 ARG C C 13 174.610 0.16 . 1 . . . . 40 ARG C . 15012 1
430 . 1 1 61 61 ARG CA C 13 53.610 0.16 . 1 . . . . 40 ARG CA . 15012 1
431 . 1 1 61 61 ARG CB C 13 34.192 0.16 . 1 . . . . 40 ARG CB . 15012 1
432 . 1 1 61 61 ARG CG C 13 28.503 0.16 . 1 . . . . 40 ARG CG . 15012 1
433 . 1 1 61 61 ARG CD C 13 42.995 0.16 . 1 . . . . 40 ARG CD . 15012 1
434 . 1 1 61 61 ARG N N 15 120.435 0.24 . 1 . . . . 40 ARG N . 15012 1
435 . 1 1 62 62 TYR H H 1 9.082 0.006 . 1 . . . . 41 TYR HN . 15012 1
436 . 1 1 62 62 TYR HA H 1 6.090 0.006 . 1 . . . . 41 TYR HA . 15012 1
437 . 1 1 62 62 TYR HB2 H 1 2.526 0.006 . 2 . . . . 41 TYR HB1 . 15012 1
438 . 1 1 62 62 TYR HB3 H 1 2.438 0.006 . 2 . . . . 41 TYR HB2 . 15012 1
439 . 1 1 62 62 TYR HD1 H 1 6.640 0.006 . 3 . . . . 41 TYR HD1 . 15012 1
440 . 1 1 62 62 TYR C C 13 173.460 0.16 . 1 . . . . 41 TYR C . 15012 1
441 . 1 1 62 62 TYR CA C 13 55.768 0.16 . 1 . . . . 41 TYR CA . 15012 1
442 . 1 1 62 62 TYR CB C 13 41.786 0.16 . 1 . . . . 41 TYR CB . 15012 1
443 . 1 1 62 62 TYR N N 15 119.559 0.24 . 1 . . . . 41 TYR N . 15012 1
444 . 1 1 63 63 GLU H H 1 8.784 0.006 . 1 . . . . 42 GLU HN . 15012 1
445 . 1 1 63 63 GLU HA H 1 4.400 0.006 . 1 . . . . 42 GLU HA . 15012 1
446 . 1 1 63 63 GLU HB2 H 1 2.088 0.006 . 2 . . . . 42 GLU HB1 . 15012 1
447 . 1 1 63 63 GLU HB3 H 1 2.022 0.006 . 2 . . . . 42 GLU HB2 . 15012 1
448 . 1 1 63 63 GLU HG2 H 1 2.256 0.006 . 1 . . . . 42 GLU HG1 . 15012 1
449 . 1 1 63 63 GLU HG3 H 1 2.256 0.006 . 1 . . . . 42 GLU HG2 . 15012 1
450 . 1 1 63 63 GLU C C 13 174.533 0.16 . 1 . . . . 42 GLU C . 15012 1
451 . 1 1 63 63 GLU CA C 13 55.103 0.16 . 1 . . . . 42 GLU CA . 15012 1
452 . 1 1 63 63 GLU CB C 13 35.091 0.16 . 1 . . . . 42 GLU CB . 15012 1
453 . 1 1 63 63 GLU CG C 13 36.806 0.16 . 1 . . . . 42 GLU CG . 15012 1
454 . 1 1 63 63 GLU N N 15 119.090 0.24 . 1 . . . . 42 GLU N . 15012 1
455 . 1 1 64 64 VAL H H 1 8.965 0.006 . 1 . . . . 43 VAL HN . 15012 1
456 . 1 1 64 64 VAL HA H 1 4.767 0.006 . 1 . . . . 43 VAL HA . 15012 1
457 . 1 1 64 64 VAL HB H 1 1.615 0.006 . 1 . . . . 43 VAL HB . 15012 1
458 . 1 1 64 64 VAL HG11 H 1 0.799 0.006 . 2 . . . . 43 VAL HG11 . 15012 1
459 . 1 1 64 64 VAL HG12 H 1 0.799 0.006 . 2 . . . . 43 VAL HG11 . 15012 1
460 . 1 1 64 64 VAL HG13 H 1 0.799 0.006 . 2 . . . . 43 VAL HG11 . 15012 1
461 . 1 1 64 64 VAL HG21 H 1 0.396 0.006 . 2 . . . . 43 VAL HG21 . 15012 1
462 . 1 1 64 64 VAL HG22 H 1 0.396 0.006 . 2 . . . . 43 VAL HG21 . 15012 1
463 . 1 1 64 64 VAL HG23 H 1 0.396 0.006 . 2 . . . . 43 VAL HG21 . 15012 1
464 . 1 1 64 64 VAL C C 13 175.561 0.16 . 1 . . . . 43 VAL C . 15012 1
465 . 1 1 64 64 VAL CA C 13 61.122 0.16 . 1 . . . . 43 VAL CA . 15012 1
466 . 1 1 64 64 VAL CB C 13 33.875 0.16 . 1 . . . . 43 VAL CB . 15012 1
467 . 1 1 64 64 VAL CG1 C 13 21.828 0.16 . 1 . . . . 43 VAL CG1 . 15012 1
468 . 1 1 64 64 VAL CG2 C 13 20.818 0.16 . 1 . . . . 43 VAL CG2 . 15012 1
469 . 1 1 64 64 VAL N N 15 124.756 0.24 . 1 . . . . 43 VAL N . 15012 1
470 . 1 1 65 65 ARG H H 1 8.917 0.006 . 1 . . . . 44 ARG HN . 15012 1
471 . 1 1 65 65 ARG HA H 1 4.643 0.006 . 1 . . . . 44 ARG HA . 15012 1
472 . 1 1 65 65 ARG HB2 H 1 1.806 0.006 . 1 . . . . 44 ARG HB1 . 15012 1
473 . 1 1 65 65 ARG HB3 H 1 1.806 0.006 . 1 . . . . 44 ARG HB2 . 15012 1
474 . 1 1 65 65 ARG HG2 H 1 1.648 0.006 . 2 . . . . 44 ARG HG1 . 15012 1
475 . 1 1 65 65 ARG HG3 H 1 1.542 0.006 . 2 . . . . 44 ARG HG2 . 15012 1
476 . 1 1 65 65 ARG HD2 H 1 3.238 0.006 . 2 . . . . 44 ARG HD1 . 15012 1
477 . 1 1 65 65 ARG HD3 H 1 3.199 0.006 . 2 . . . . 44 ARG HD2 . 15012 1
478 . 1 1 65 65 ARG C C 13 172.785 0.16 . 1 . . . . 44 ARG C . 15012 1
479 . 1 1 65 65 ARG CA C 13 54.991 0.16 . 1 . . . . 44 ARG CA . 15012 1
480 . 1 1 65 65 ARG CB C 13 31.530 0.16 . 1 . . . . 44 ARG CB . 15012 1
481 . 1 1 65 65 ARG CG C 13 27.183 0.16 . 1 . . . . 44 ARG CG . 15012 1
482 . 1 1 65 65 ARG CD C 13 43.597 0.16 . 1 . . . . 44 ARG CD . 15012 1
483 . 1 1 65 65 ARG N N 15 129.264 0.24 . 1 . . . . 44 ARG N . 15012 1
484 . 1 1 66 66 GLY HA2 H 1 4.037 0.006 . 2 . . . . 45 GLY HA1 . 15012 1
485 . 1 1 66 66 GLY HA3 H 1 3.693 0.006 . 2 . . . . 45 GLY HA2 . 15012 1
486 . 1 1 66 66 GLY C C 13 172.785 0.16 . 1 . . . . 45 GLY C . 15012 1
487 . 1 1 66 66 GLY CA C 13 47.601 0.16 . 1 . . . . 45 GLY CA . 15012 1
488 . 1 1 67 67 ALA H H 1 8.866 0.006 . 1 . . . . 46 ALA HN . 15012 1
489 . 1 1 67 67 ALA HA H 1 4.756 0.006 . 1 . . . . 46 ALA HA . 15012 1
490 . 1 1 67 67 ALA HB1 H 1 1.663 0.006 . 1 . . . . 46 ALA HB1 . 15012 1
491 . 1 1 67 67 ALA HB2 H 1 1.663 0.006 . 1 . . . . 46 ALA HB1 . 15012 1
492 . 1 1 67 67 ALA HB3 H 1 1.663 0.006 . 1 . . . . 46 ALA HB1 . 15012 1
493 . 1 1 67 67 ALA C C 13 174.840 0.16 . 1 . . . . 46 ALA C . 15012 1
494 . 1 1 67 67 ALA CA C 13 51.320 0.16 . 1 . . . . 46 ALA CA . 15012 1
495 . 1 1 67 67 ALA CB C 13 19.669 0.16 . 1 . . . . 46 ALA CB . 15012 1
496 . 1 1 67 67 ALA N N 15 130.435 0.24 . 1 . . . . 46 ALA N . 15012 1
497 . 1 1 68 68 HIS H H 1 8.342 0.006 . 1 . . . . 47 HIS HN . 15012 1
498 . 1 1 68 68 HIS HA H 1 5.138 0.006 . 1 . . . . 47 HIS HA . 15012 1
499 . 1 1 68 68 HIS HB2 H 1 3.462 0.006 . 2 . . . . 47 HIS HB1 . 15012 1
500 . 1 1 68 68 HIS HB3 H 1 3.071 0.006 . 2 . . . . 47 HIS HB2 . 15012 1
501 . 1 1 68 68 HIS HD2 H 1 7.130 0.006 . 3 . . . . 47 HIS HD2 . 15012 1
502 . 1 1 68 68 HIS C C 13 172.356 0.16 . 1 . . . . 47 HIS C . 15012 1
503 . 1 1 68 68 HIS CA C 13 55.006 0.16 . 1 . . . . 47 HIS CA . 15012 1
504 . 1 1 68 68 HIS CB C 13 31.281 0.16 . 1 . . . . 47 HIS CB . 15012 1
505 . 1 1 68 68 HIS N N 15 120.192 0.24 . 1 . . . . 47 HIS N . 15012 1
506 . 1 1 69 69 ILE H H 1 7.811 0.006 . 1 . . . . 48 ILE HN . 15012 1
507 . 1 1 69 69 ILE HA H 1 5.059 0.006 . 1 . . . . 48 ILE HA . 15012 1
508 . 1 1 69 69 ILE HB H 1 1.042 0.006 . 1 . . . . 48 ILE HB . 15012 1
509 . 1 1 69 69 ILE HG12 H 1 0.906 0.006 . 1 . . . . 48 ILE HG11 . 15012 1
510 . 1 1 69 69 ILE HG13 H 1 -0.710 0.006 . 1 . . . . 48 ILE HG12 . 15012 1
511 . 1 1 69 69 ILE HG21 H 1 -0.135 0.006 . 1 . . . . 48 ILE HG21 . 15012 1
512 . 1 1 69 69 ILE HG22 H 1 -0.135 0.006 . 1 . . . . 48 ILE HG21 . 15012 1
513 . 1 1 69 69 ILE HG23 H 1 -0.135 0.006 . 1 . . . . 48 ILE HG21 . 15012 1
514 . 1 1 69 69 ILE HD11 H 1 -0.174 0.006 . 1 . . . . 48 ILE HD11 . 15012 1
515 . 1 1 69 69 ILE HD12 H 1 -0.174 0.006 . 1 . . . . 48 ILE HD11 . 15012 1
516 . 1 1 69 69 ILE HD13 H 1 -0.174 0.006 . 1 . . . . 48 ILE HD11 . 15012 1
517 . 1 1 69 69 ILE C C 13 171.482 0.16 . 1 . . . . 48 ILE C . 15012 1
518 . 1 1 69 69 ILE CA C 13 57.359 0.16 . 1 . . . . 48 ILE CA . 15012 1
519 . 1 1 69 69 ILE CB C 13 41.979 0.16 . 1 . . . . 48 ILE CB . 15012 1
520 . 1 1 69 69 ILE CG1 C 13 27.941 0.16 . 2 . . . . 48 ILE CG1 . 15012 1
521 . 1 1 69 69 ILE CG2 C 13 15.949 0.16 . 1 . . . . 48 ILE CG2 . 15012 1
522 . 1 1 69 69 ILE CD1 C 13 13.048 0.16 . 1 . . . . 48 ILE CD1 . 15012 1
523 . 1 1 69 69 ILE N N 15 125.460 0.24 . 1 . . . . 48 ILE N . 15012 1
524 . 1 1 70 70 ASN H H 1 8.260 0.006 . 1 . . . . 49 ASN HN . 15012 1
525 . 1 1 70 70 ASN HA H 1 4.797 0.006 . 1 . . . . 49 ASN HA . 15012 1
526 . 1 1 70 70 ASN HB2 H 1 2.128 0.006 . 2 . . . . 49 ASN HB1 . 15012 1
527 . 1 1 70 70 ASN HB3 H 1 1.992 0.006 . 2 . . . . 49 ASN HB2 . 15012 1
528 . 1 1 70 70 ASN C C 13 172.325 0.16 . 1 . . . . 49 ASN C . 15012 1
529 . 1 1 70 70 ASN CA C 13 52.461 0.16 . 1 . . . . 49 ASN CA . 15012 1
530 . 1 1 70 70 ASN CB C 13 43.334 0.16 . 1 . . . . 49 ASN CB . 15012 1
531 . 1 1 70 70 ASN N N 15 122.965 0.24 . 1 . . . . 49 ASN N . 15012 1
532 . 1 1 71 71 TYR H H 1 8.362 0.006 . 1 . . . . 50 TYR HN . 15012 1
533 . 1 1 71 71 TYR HA H 1 4.957 0.006 . 1 . . . . 50 TYR HA . 15012 1
534 . 1 1 71 71 TYR HB2 H 1 2.645 0.006 . 2 . . . . 50 TYR HB1 . 15012 1
535 . 1 1 71 71 TYR HB3 H 1 2.204 0.006 . 2 . . . . 50 TYR HB2 . 15012 1
536 . 1 1 71 71 TYR HD1 H 1 6.645 0.006 . 3 . . . . 50 TYR HD1 . 15012 1
537 . 1 1 71 71 TYR C C 13 176.527 0.16 . 1 . . . . 50 TYR C . 15012 1
538 . 1 1 71 71 TYR CA C 13 57.084 0.16 . 1 . . . . 50 TYR CA . 15012 1
539 . 1 1 71 71 TYR CB C 13 40.664 0.16 . 1 . . . . 50 TYR CB . 15012 1
540 . 1 1 71 71 TYR N N 15 116.840 0.24 . 1 . . . . 50 TYR N . 15012 1
541 . 1 1 72 72 TRP H H 1 9.792 0.006 . 1 . . . . 51 TRP HN . 15012 1
542 . 1 1 72 72 TRP HA H 1 4.938 0.006 . 1 . . . . 51 TRP HA . 15012 1
543 . 1 1 72 72 TRP HB2 H 1 3.286 0.006 . 2 . . . . 51 TRP HB1 . 15012 1
544 . 1 1 72 72 TRP HB3 H 1 3.237 0.006 . 2 . . . . 51 TRP HB2 . 15012 1
545 . 1 1 72 72 TRP HD1 H 1 7.190 0.006 . 1 . . . . 51 TRP HD1 . 15012 1
546 . 1 1 72 72 TRP HE1 H 1 10.050 0.006 . 3 . . . . 51 TRP HE1 . 15012 1
547 . 1 1 72 72 TRP C C 13 175.714 0.16 . 1 . . . . 51 TRP C . 15012 1
548 . 1 1 72 72 TRP CA C 13 58.164 0.16 . 1 . . . . 51 TRP CA . 15012 1
549 . 1 1 72 72 TRP CB C 13 30.395 0.16 . 1 . . . . 51 TRP CB . 15012 1
550 . 1 1 72 72 TRP N N 15 123.996 0.24 . 1 . . . . 51 TRP N . 15012 1
551 . 1 1 72 72 TRP NE1 N 15 128.363 0.24 . 1 . . . . 51 TRP NE1 . 15012 1
552 . 1 1 73 73 ASP H H 1 8.777 0.006 . 1 . . . . 52 ASP HN . 15012 1
553 . 1 1 73 73 ASP HA H 1 4.918 0.006 . 1 . . . . 52 ASP HA . 15012 1
554 . 1 1 73 73 ASP HB2 H 1 1.824 0.006 . 2 . . . . 52 ASP HB1 . 15012 1
555 . 1 1 73 73 ASP HB3 H 1 1.761 0.006 . 2 . . . . 52 ASP HB2 . 15012 1
556 . 1 1 73 73 ASP C C 13 178.766 0.16 . 1 . . . . 52 ASP C . 15012 1
557 . 1 1 73 73 ASP CA C 13 55.526 0.16 . 1 . . . . 52 ASP CA . 15012 1
558 . 1 1 73 73 ASP CB C 13 44.018 0.16 . 1 . . . . 52 ASP CB . 15012 1
559 . 1 1 73 73 ASP N N 15 128.180 0.24 . 1 . . . . 52 ASP N . 15012 1
560 . 1 1 74 74 ASP H H 1 9.831 0.006 . 1 . . . . 53 ASP HN . 15012 1
561 . 1 1 74 74 ASP HA H 1 4.576 0.006 . 1 . . . . 53 ASP HA . 15012 1
562 . 1 1 74 74 ASP HB2 H 1 2.810 0.006 . 2 . . . . 53 ASP HB1 . 15012 1
563 . 1 1 74 74 ASP HB3 H 1 2.758 0.006 . 2 . . . . 53 ASP HB2 . 15012 1
564 . 1 1 74 74 ASP C C 13 178.382 0.16 . 1 . . . . 53 ASP C . 15012 1
565 . 1 1 74 74 ASP CA C 13 57.736 0.16 . 1 . . . . 53 ASP CA . 15012 1
566 . 1 1 74 74 ASP CB C 13 40.064 0.16 . 1 . . . . 53 ASP CB . 15012 1
567 . 1 1 74 74 ASP N N 15 128.329 0.24 . 1 . . . . 53 ASP N . 15012 1
568 . 1 1 75 75 THR H H 1 9.773 0.006 . 1 . . . . 54 THR HN . 15012 1
569 . 1 1 75 75 THR HA H 1 4.509 0.006 . 1 . . . . 54 THR HA . 15012 1
570 . 1 1 75 75 THR HB H 1 4.623 0.006 . 1 . . . . 54 THR HB . 15012 1
571 . 1 1 75 75 THR HG21 H 1 1.513 0.006 . 1 . . . . 54 THR HG21 . 15012 1
572 . 1 1 75 75 THR HG22 H 1 1.513 0.006 . 1 . . . . 54 THR HG21 . 15012 1
573 . 1 1 75 75 THR HG23 H 1 1.513 0.006 . 1 . . . . 54 THR HG21 . 15012 1
574 . 1 1 75 75 THR C C 13 176.726 0.16 . 1 . . . . 54 THR C . 15012 1
575 . 1 1 75 75 THR CA C 13 63.324 0.16 . 1 . . . . 54 THR CA . 15012 1
576 . 1 1 75 75 THR CB C 13 70.425 0.16 . 1 . . . . 54 THR CB . 15012 1
577 . 1 1 75 75 THR CG2 C 13 21.823 0.16 . 1 . . . . 54 THR CG2 . 15012 1
578 . 1 1 75 75 THR N N 15 110.694 0.24 . 1 . . . . 54 THR N . 15012 1
579 . 1 1 76 76 GLY H H 1 8.244 0.006 . 1 . . . . 55 GLY HN . 15012 1
580 . 1 1 76 76 GLY HA2 H 1 4.597 0.006 . 2 . . . . 55 GLY HA1 . 15012 1
581 . 1 1 76 76 GLY HA3 H 1 3.828 0.006 . 2 . . . . 55 GLY HA2 . 15012 1
582 . 1 1 76 76 GLY C C 13 174.135 0.16 . 1 . . . . 55 GLY C . 15012 1
583 . 1 1 76 76 GLY CA C 13 45.830 0.16 . 1 . . . . 55 GLY CA . 15012 1
584 . 1 1 76 76 GLY N N 15 108.623 0.24 . 1 . . . . 55 GLY N . 15012 1
585 . 1 1 77 77 PHE H H 1 6.823 0.006 . 1 . . . . 56 PHE HN . 15012 1
586 . 1 1 77 77 PHE HA H 1 5.049 0.006 . 1 . . . . 56 PHE HA . 15012 1
587 . 1 1 77 77 PHE HB2 H 1 3.290 0.006 . 2 . . . . 56 PHE HB1 . 15012 1
588 . 1 1 77 77 PHE HB3 H 1 3.041 0.006 . 2 . . . . 56 PHE HB2 . 15012 1
589 . 1 1 77 77 PHE HD1 H 1 7.127 0.006 . 3 . . . . 56 PHE HD1 . 15012 1
590 . 1 1 77 77 PHE HE1 H 1 7.169 0.006 . 3 . . . . 56 PHE HE1 . 15012 1
591 . 1 1 77 77 PHE C C 13 173.905 0.16 . 1 . . . . 56 PHE C . 15012 1
592 . 1 1 77 77 PHE CA C 13 56.708 0.16 . 1 . . . . 56 PHE CA . 15012 1
593 . 1 1 77 77 PHE CB C 13 40.078 0.16 . 1 . . . . 56 PHE CB . 15012 1
594 . 1 1 77 77 PHE N N 15 116.994 0.24 . 1 . . . . 56 PHE N . 15012 1
595 . 1 1 78 78 THR H H 1 8.332 0.006 . 1 . . . . 57 THR HN . 15012 1
596 . 1 1 78 78 THR HA H 1 5.104 0.006 . 1 . . . . 57 THR HA . 15012 1
597 . 1 1 78 78 THR HB H 1 4.146 0.006 . 1 . . . . 57 THR HB . 15012 1
598 . 1 1 78 78 THR HG21 H 1 1.141 0.006 . 1 . . . . 57 THR HG21 . 15012 1
599 . 1 1 78 78 THR HG22 H 1 1.141 0.006 . 1 . . . . 57 THR HG21 . 15012 1
600 . 1 1 78 78 THR HG23 H 1 1.141 0.006 . 1 . . . . 57 THR HG21 . 15012 1
601 . 1 1 78 78 THR C C 13 173.138 0.16 . 1 . . . . 57 THR C . 15012 1
602 . 1 1 78 78 THR CA C 13 59.198 0.16 . 1 . . . . 57 THR CA . 15012 1
603 . 1 1 78 78 THR CB C 13 71.584 0.16 . 1 . . . . 57 THR CB . 15012 1
604 . 1 1 78 78 THR CG2 C 13 21.799 0.16 . 1 . . . . 57 THR CG2 . 15012 1
605 . 1 1 78 78 THR N N 15 112.743 0.24 . 1 . . . . 57 THR N . 15012 1
606 . 1 1 79 79 ALA H H 1 8.278 0.006 . 1 . . . . 58 ALA HN . 15012 1
607 . 1 1 79 79 ALA HA H 1 4.671 0.006 . 1 . . . . 58 ALA HA . 15012 1
608 . 1 1 79 79 ALA HB1 H 1 1.350 0.006 . 1 . . . . 58 ALA HB1 . 15012 1
609 . 1 1 79 79 ALA HB2 H 1 1.350 0.006 . 1 . . . . 58 ALA HB1 . 15012 1
610 . 1 1 79 79 ALA HB3 H 1 1.350 0.006 . 1 . . . . 58 ALA HB1 . 15012 1
611 . 1 1 79 79 ALA C C 13 174.871 0.16 . 1 . . . . 58 ALA C . 15012 1
612 . 1 1 79 79 ALA CA C 13 51.391 0.16 . 1 . . . . 58 ALA CA . 15012 1
613 . 1 1 79 79 ALA CB C 13 22.893 0.16 . 1 . . . . 58 ALA CB . 15012 1
614 . 1 1 79 79 ALA N N 15 121.530 0.24 . 1 . . . . 58 ALA N . 15012 1
615 . 1 1 80 80 ASP H H 1 8.547 0.006 . 1 . . . . 59 ASP HN . 15012 1
616 . 1 1 80 80 ASP HA H 1 5.342 0.006 . 1 . . . . 59 ASP HA . 15012 1
617 . 1 1 80 80 ASP HB2 H 1 2.843 0.006 . 2 . . . . 59 ASP HB1 . 15012 1
618 . 1 1 80 80 ASP HB3 H 1 2.776 0.006 . 2 . . . . 59 ASP HB2 . 15012 1
619 . 1 1 80 80 ASP C C 13 175.791 0.16 . 1 . . . . 59 ASP C . 15012 1
620 . 1 1 80 80 ASP CA C 13 53.120 0.16 . 1 . . . . 59 ASP CA . 15012 1
621 . 1 1 80 80 ASP CB C 13 44.502 0.16 . 1 . . . . 59 ASP CB . 15012 1
622 . 1 1 80 80 ASP N N 15 118.219 0.24 . 1 . . . . 59 ASP N . 15012 1
623 . 1 1 81 81 GLY H H 1 8.400 0.006 . 1 . . . . 60 GLY HN . 15012 1
624 . 1 1 81 81 GLY HA2 H 1 4.570 0.006 . 2 . . . . 60 GLY HA1 . 15012 1
625 . 1 1 81 81 GLY HA3 H 1 3.504 0.006 . 2 . . . . 60 GLY HA2 . 15012 1
626 . 1 1 81 81 GLY C C 13 170.792 0.16 . 1 . . . . 60 GLY C . 15012 1
627 . 1 1 81 81 GLY CA C 13 45.553 0.16 . 1 . . . . 60 GLY CA . 15012 1
628 . 1 1 81 81 GLY N N 15 107.879 0.24 . 1 . . . . 60 GLY N . 15012 1
629 . 1 1 82 82 ASP H H 1 8.357 0.006 . 1 . . . . 61 ASP HN . 15012 1
630 . 1 1 82 82 ASP HA H 1 5.371 0.006 . 1 . . . . 61 ASP HA . 15012 1
631 . 1 1 82 82 ASP HB2 H 1 2.386 0.006 . 2 . . . . 61 ASP HB1 . 15012 1
632 . 1 1 82 82 ASP HB3 H 1 2.269 0.006 . 2 . . . . 61 ASP HB2 . 15012 1
633 . 1 1 82 82 ASP C C 13 173.951 0.16 . 1 . . . . 61 ASP C . 15012 1
634 . 1 1 82 82 ASP CA C 13 54.049 0.16 . 1 . . . . 61 ASP CA . 15012 1
635 . 1 1 82 82 ASP CB C 13 45.744 0.16 . 1 . . . . 61 ASP CB . 15012 1
636 . 1 1 82 82 ASP N N 15 116.408 0.24 . 1 . . . . 61 ASP N . 15012 1
637 . 1 1 83 83 PHE H H 1 9.357 0.006 . 1 . . . . 62 PHE HN . 15012 1
638 . 1 1 83 83 PHE HA H 1 4.816 0.006 . 1 . . . . 62 PHE HA . 15012 1
639 . 1 1 83 83 PHE HB2 H 1 2.960 0.006 . 2 . . . . 62 PHE HB1 . 15012 1
640 . 1 1 83 83 PHE HB3 H 1 2.461 0.006 . 2 . . . . 62 PHE HB2 . 15012 1
641 . 1 1 83 83 PHE HD1 H 1 6.140 0.006 . 3 . . . . 62 PHE HD1 . 15012 1
642 . 1 1 83 83 PHE HE1 H 1 6.641 0.006 . 3 . . . . 62 PHE HE1 . 15012 1
643 . 1 1 83 83 PHE C C 13 177.140 0.16 . 1 . . . . 62 PHE C . 15012 1
644 . 1 1 83 83 PHE CA C 13 58.436 0.16 . 1 . . . . 62 PHE CA . 15012 1
645 . 1 1 83 83 PHE CB C 13 37.996 0.16 . 1 . . . . 62 PHE CB . 15012 1
646 . 1 1 83 83 PHE N N 15 123.564 0.24 . 1 . . . . 62 PHE N . 15012 1
647 . 1 1 84 84 VAL H H 1 7.945 0.006 . 1 . . . . 63 VAL HN . 15012 1
648 . 1 1 84 84 VAL HA H 1 4.112 0.006 . 1 . . . . 63 VAL HA . 15012 1
649 . 1 1 84 84 VAL HB H 1 2.080 0.006 . 1 . . . . 63 VAL HB . 15012 1
650 . 1 1 84 84 VAL HG11 H 1 0.569 0.006 . 2 . . . . 63 VAL HG11 . 15012 1
651 . 1 1 84 84 VAL HG12 H 1 0.569 0.006 . 2 . . . . 63 VAL HG11 . 15012 1
652 . 1 1 84 84 VAL HG13 H 1 0.569 0.006 . 2 . . . . 63 VAL HG11 . 15012 1
653 . 1 1 84 84 VAL HG21 H 1 0.490 0.006 . 2 . . . . 63 VAL HG21 . 15012 1
654 . 1 1 84 84 VAL HG22 H 1 0.490 0.006 . 2 . . . . 63 VAL HG21 . 15012 1
655 . 1 1 84 84 VAL HG23 H 1 0.490 0.006 . 2 . . . . 63 VAL HG21 . 15012 1
656 . 1 1 84 84 VAL C C 13 175.653 0.16 . 1 . . . . 63 VAL C . 15012 1
657 . 1 1 84 84 VAL CA C 13 62.401 0.16 . 1 . . . . 63 VAL CA . 15012 1
658 . 1 1 84 84 VAL CB C 13 31.201 0.16 . 1 . . . . 63 VAL CB . 15012 1
659 . 1 1 84 84 VAL CG1 C 13 20.720 0.16 . 1 . . . . 63 VAL CG1 . 15012 1
660 . 1 1 84 84 VAL CG2 C 13 18.597 0.16 . 1 . . . . 63 VAL CG2 . 15012 1
661 . 1 1 84 84 VAL N N 15 121.955 0.24 . 1 . . . . 63 VAL N . 15012 1
662 . 1 1 85 85 SER H H 1 8.655 0.006 . 1 . . . . 64 SER HN . 15012 1
663 . 1 1 85 85 SER HA H 1 4.588 0.006 . 1 . . . . 64 SER HA . 15012 1
664 . 1 1 85 85 SER HB2 H 1 4.343 0.006 . 2 . . . . 64 SER HB1 . 15012 1
665 . 1 1 85 85 SER HB3 H 1 4.159 0.006 . 2 . . . . 64 SER HB2 . 15012 1
666 . 1 1 85 85 SER CA C 13 57.023 0.16 . 1 . . . . 64 SER CA . 15012 1
667 . 1 1 85 85 SER CB C 13 64.897 0.16 . 1 . . . . 64 SER CB . 15012 1
668 . 1 1 85 85 SER N N 15 115.830 0.24 . 1 . . . . 64 SER N . 15012 1
669 . 1 1 86 86 ALA HA H 1 4.420 0.006 . 1 . . . . 65 ALA HA . 15012 1
670 . 1 1 86 86 ALA HB1 H 1 1.480 0.006 . 1 . . . . 65 ALA HB1 . 15012 1
671 . 1 1 86 86 ALA HB2 H 1 1.480 0.006 . 1 . . . . 65 ALA HB1 . 15012 1
672 . 1 1 86 86 ALA HB3 H 1 1.480 0.006 . 1 . . . . 65 ALA HB1 . 15012 1
673 . 1 1 86 86 ALA C C 13 177.447 0.16 . 1 . . . . 65 ALA C . 15012 1
674 . 1 1 86 86 ALA CA C 13 55.103 0.16 . 1 . . . . 65 ALA CA . 15012 1
675 . 1 1 86 86 ALA CB C 13 19.051 0.16 . 1 . . . . 65 ALA CB . 15012 1
676 . 1 1 87 87 ASN H H 1 8.277 0.006 . 1 . . . . 66 ASN HN . 15012 1
677 . 1 1 87 87 ASN HA H 1 5.397 0.006 . 1 . . . . 66 ASN HA . 15012 1
678 . 1 1 87 87 ASN HB2 H 1 3.377 0.006 . 2 . . . . 66 ASN HB1 . 15012 1
679 . 1 1 87 87 ASN HB3 H 1 2.784 0.006 . 2 . . . . 66 ASN HB2 . 15012 1
680 . 1 1 87 87 ASN C C 13 174.288 0.16 . 1 . . . . 66 ASN C . 15012 1
681 . 1 1 87 87 ASN CA C 13 52.732 0.16 . 1 . . . . 66 ASN CA . 15012 1
682 . 1 1 87 87 ASN CB C 13 41.743 0.16 . 1 . . . . 66 ASN CB . 15012 1
683 . 1 1 87 87 ASN N N 15 110.036 0.24 . 1 . . . . 66 ASN N . 15012 1
684 . 1 1 88 88 GLU H H 1 7.770 0.006 . 1 . . . . 67 GLU HN . 15012 1
685 . 1 1 88 88 GLU HA H 1 5.557 0.006 . 1 . . . . 67 GLU HA . 15012 1
686 . 1 1 88 88 GLU HB2 H 1 2.008 0.006 . 1 . . . . 67 GLU HB1 . 15012 1
687 . 1 1 88 88 GLU HB3 H 1 2.008 0.006 . 1 . . . . 67 GLU HB2 . 15012 1
688 . 1 1 88 88 GLU HG2 H 1 2.160 0.006 . 2 . . . . 67 GLU HG1 . 15012 1
689 . 1 1 88 88 GLU HG3 H 1 1.932 0.006 . 2 . . . . 67 GLU HG2 . 15012 1
690 . 1 1 88 88 GLU C C 13 172.156 0.16 . 1 . . . . 67 GLU C . 15012 1
691 . 1 1 88 88 GLU CA C 13 56.786 0.16 . 1 . . . . 67 GLU CA . 15012 1
692 . 1 1 88 88 GLU CB C 13 33.897 0.16 . 1 . . . . 67 GLU CB . 15012 1
693 . 1 1 88 88 GLU CG C 13 36.860 0.16 . 1 . . . . 67 GLU CG . 15012 1
694 . 1 1 88 88 GLU N N 15 123.717 0.24 . 1 . . . . 67 GLU N . 15012 1
695 . 1 1 89 89 LEU H H 1 9.391 0.006 . 1 . . . . 68 LEU HN . 15012 1
696 . 1 1 89 89 LEU HA H 1 4.506 0.006 . 1 . . . . 68 LEU HA . 15012 1
697 . 1 1 89 89 LEU HB2 H 1 1.399 0.006 . 2 . . . . 68 LEU HB1 . 15012 1
698 . 1 1 89 89 LEU HB3 H 1 0.830 0.006 . 2 . . . . 68 LEU HB2 . 15012 1
699 . 1 1 89 89 LEU HG H 1 0.647 0.006 . 1 . . . . 68 LEU HG . 15012 1
700 . 1 1 89 89 LEU HD11 H 1 -0.409 0.006 . 2 . . . . 68 LEU HD11 . 15012 1
701 . 1 1 89 89 LEU HD12 H 1 -0.409 0.006 . 2 . . . . 68 LEU HD11 . 15012 1
702 . 1 1 89 89 LEU HD13 H 1 -0.409 0.006 . 2 . . . . 68 LEU HD11 . 15012 1
703 . 1 1 89 89 LEU HD21 H 1 -0.868 0.006 . 2 . . . . 68 LEU HD21 . 15012 1
704 . 1 1 89 89 LEU HD22 H 1 -0.868 0.006 . 2 . . . . 68 LEU HD21 . 15012 1
705 . 1 1 89 89 LEU HD23 H 1 -0.868 0.006 . 2 . . . . 68 LEU HD21 . 15012 1
706 . 1 1 89 89 LEU C C 13 174.518 0.16 . 1 . . . . 68 LEU C . 15012 1
707 . 1 1 89 89 LEU CA C 13 53.376 0.16 . 1 . . . . 68 LEU CA . 15012 1
708 . 1 1 89 89 LEU CB C 13 45.449 0.16 . 1 . . . . 68 LEU CB . 15012 1
709 . 1 1 89 89 LEU CG C 13 27.358 0.16 . 1 . . . . 68 LEU CG . 15012 1
710 . 1 1 89 89 LEU CD1 C 13 22.709 0.16 . 1 . . . . 68 LEU CD1 . 15012 1
711 . 1 1 89 89 LEU CD2 C 13 19.221 0.16 . 1 . . . . 68 LEU CD2 . 15012 1
712 . 1 1 89 89 LEU N N 15 130.010 0.24 . 1 . . . . 68 LEU N . 15012 1
713 . 1 1 90 90 HIS H H 1 9.162 0.006 . 1 . . . . 69 HIS HN . 15012 1
714 . 1 1 90 90 HIS HA H 1 5.580 0.006 . 1 . . . . 69 HIS HA . 15012 1
715 . 1 1 90 90 HIS HB2 H 1 3.168 0.006 . 2 . . . . 69 HIS HB1 . 15012 1
716 . 1 1 90 90 HIS HB3 H 1 3.038 0.006 . 2 . . . . 69 HIS HB2 . 15012 1
717 . 1 1 90 90 HIS HD2 H 1 6.904 0.006 . 3 . . . . 69 HIS HD2 . 15012 1
718 . 1 1 90 90 HIS C C 13 174.303 0.16 . 1 . . . . 69 HIS C . 15012 1
719 . 1 1 90 90 HIS CA C 13 53.722 0.16 . 1 . . . . 69 HIS CA . 15012 1
720 . 1 1 90 90 HIS CB C 13 31.449 0.16 . 1 . . . . 69 HIS CB . 15012 1
721 . 1 1 90 90 HIS N N 15 127.335 0.24 . 1 . . . . 69 HIS N . 15012 1
722 . 1 1 91 91 HIS H H 1 8.703 0.006 . 1 . . . . 70 HIS HN . 15012 1
723 . 1 1 91 91 HIS HA H 1 4.952 0.006 . 1 . . . . 70 HIS HA . 15012 1
724 . 1 1 91 91 HIS HB2 H 1 2.755 0.006 . 2 . . . . 70 HIS HB1 . 15012 1
725 . 1 1 91 91 HIS HB3 H 1 2.499 0.006 . 2 . . . . 70 HIS HB2 . 15012 1
726 . 1 1 91 91 HIS HD2 H 1 7.177 0.006 . 3 . . . . 70 HIS HD2 . 15012 1
727 . 1 1 91 91 HIS CA C 13 55.359 0.16 . 1 . . . . 70 HIS CA . 15012 1
728 . 1 1 91 91 HIS CB C 13 31.367 0.16 . 1 . . . . 70 HIS CB . 15012 1
729 . 1 1 91 91 HIS N N 15 125.779 0.24 . 1 . . . . 70 HIS N . 15012 1
730 . 1 1 93 93 GLY HA2 H 1 4.038 0.006 . 2 . . . . 72 GLY HA1 . 15012 1
731 . 1 1 93 93 GLY HA3 H 1 3.590 0.006 . 2 . . . . 72 GLY HA2 . 15012 1
732 . 1 1 93 93 GLY C C 13 173.736 0.16 . 1 . . . . 72 GLY C . 15012 1
733 . 1 1 93 93 GLY CA C 13 44.986 0.16 . 1 . . . . 72 GLY CA . 15012 1
734 . 1 1 94 94 MET H H 1 7.785 0.006 . 1 . . . . 73 MET HN . 15012 1
735 . 1 1 94 94 MET HA H 1 4.646 0.006 . 1 . . . . 73 MET HA . 15012 1
736 . 1 1 94 94 MET HB2 H 1 2.088 0.006 . 2 . . . . 73 MET HB1 . 15012 1
737 . 1 1 94 94 MET HB3 H 1 1.586 0.006 . 2 . . . . 73 MET HB2 . 15012 1
738 . 1 1 94 94 MET HG2 H 1 2.350 0.006 . 2 . . . . 73 MET HG1 . 15012 1
739 . 1 1 94 94 MET HG3 H 1 2.287 0.006 . 2 . . . . 73 MET HG2 . 15012 1
740 . 1 1 94 94 MET C C 13 174.641 0.16 . 1 . . . . 73 MET C . 15012 1
741 . 1 1 94 94 MET CA C 13 53.958 0.16 . 1 . . . . 73 MET CA . 15012 1
742 . 1 1 94 94 MET CB C 13 36.065 0.16 . 1 . . . . 73 MET CB . 15012 1
743 . 1 1 94 94 MET CG C 13 31.949 0.16 . 1 . . . . 73 MET CG . 15012 1
744 . 1 1 94 94 MET N N 15 119.614 0.24 . 1 . . . . 73 MET N . 15012 1
745 . 1 1 95 95 THR H H 1 8.149 0.006 . 1 . . . . 74 THR HN . 15012 1
746 . 1 1 95 95 THR HA H 1 4.982 0.006 . 1 . . . . 74 THR HA . 15012 1
747 . 1 1 95 95 THR HB H 1 3.752 0.006 . 1 . . . . 74 THR HB . 15012 1
748 . 1 1 95 95 THR HG21 H 1 0.837 0.006 . 1 . . . . 74 THR HG21 . 15012 1
749 . 1 1 95 95 THR HG22 H 1 0.837 0.006 . 1 . . . . 74 THR HG21 . 15012 1
750 . 1 1 95 95 THR HG23 H 1 0.837 0.006 . 1 . . . . 74 THR HG21 . 15012 1
751 . 1 1 95 95 THR C C 13 172.739 0.16 . 1 . . . . 74 THR C . 15012 1
752 . 1 1 95 95 THR CA C 13 61.647 0.16 . 1 . . . . 74 THR CA . 15012 1
753 . 1 1 95 95 THR CB C 13 69.482 0.16 . 1 . . . . 74 THR CB . 15012 1
754 . 1 1 95 95 THR CG2 C 13 22.269 0.16 . 1 . . . . 74 THR CG2 . 15012 1
755 . 1 1 95 95 THR N N 15 117.472 0.24 . 1 . . . . 74 THR N . 15012 1
756 . 1 1 96 96 PHE H H 1 9.964 0.006 . 1 . . . . 75 PHE HN . 15012 1
757 . 1 1 96 96 PHE HA H 1 4.643 0.006 . 1 . . . . 75 PHE HA . 15012 1
758 . 1 1 96 96 PHE HB2 H 1 3.268 0.006 . 2 . . . . 75 PHE HB1 . 15012 1
759 . 1 1 96 96 PHE HB3 H 1 2.980 0.006 . 2 . . . . 75 PHE HB2 . 15012 1
760 . 1 1 96 96 PHE HD1 H 1 7.060 0.006 . 3 . . . . 75 PHE HD1 . 15012 1
761 . 1 1 96 96 PHE HE1 H 1 7.173 0.006 . 3 . . . . 75 PHE HE1 . 15012 1
762 . 1 1 96 96 PHE C C 13 174.380 0.16 . 1 . . . . 75 PHE C . 15012 1
763 . 1 1 96 96 PHE CA C 13 55.811 0.16 . 1 . . . . 75 PHE CA . 15012 1
764 . 1 1 96 96 PHE CB C 13 42.908 0.16 . 1 . . . . 75 PHE CB . 15012 1
765 . 1 1 96 96 PHE N N 15 125.886 0.24 . 1 . . . . 75 PHE N . 15012 1
766 . 1 1 97 97 TYR H H 1 9.383 0.006 . 1 . . . . 76 TYR HN . 15012 1
767 . 1 1 97 97 TYR HA H 1 5.804 0.006 . 1 . . . . 76 TYR HA . 15012 1
768 . 1 1 97 97 TYR HB2 H 1 3.222 0.006 . 2 . . . . 76 TYR HB1 . 15012 1
769 . 1 1 97 97 TYR HB3 H 1 2.852 0.006 . 2 . . . . 76 TYR HB2 . 15012 1
770 . 1 1 97 97 TYR HD1 H 1 7.312 0.006 . 3 . . . . 76 TYR HD1 . 15012 1
771 . 1 1 97 97 TYR HE1 H 1 6.787 0.006 . 3 . . . . 76 TYR HE1 . 15012 1
772 . 1 1 97 97 TYR C C 13 176.757 0.16 . 1 . . . . 76 TYR C . 15012 1
773 . 1 1 97 97 TYR CA C 13 55.802 0.16 . 1 . . . . 76 TYR CA . 15012 1
774 . 1 1 97 97 TYR CB C 13 40.811 0.16 . 1 . . . . 76 TYR CB . 15012 1
775 . 1 1 97 97 TYR N N 15 119.760 0.24 . 1 . . . . 76 TYR N . 15012 1
776 . 1 1 98 98 ARG H H 1 7.834 0.006 . 1 . . . . 77 ARG HN . 15012 1
777 . 1 1 98 98 ARG HA H 1 3.356 0.006 . 1 . . . . 77 ARG HA . 15012 1
778 . 1 1 98 98 ARG HB2 H 1 1.272 0.006 . 2 . . . . 77 ARG HB1 . 15012 1
779 . 1 1 98 98 ARG HB3 H 1 0.615 0.006 . 2 . . . . 77 ARG HB2 . 15012 1
780 . 1 1 98 98 ARG HG2 H 1 0.993 0.006 . 2 . . . . 77 ARG HG1 . 15012 1
781 . 1 1 98 98 ARG HG3 H 1 0.626 0.006 . 2 . . . . 77 ARG HG2 . 15012 1
782 . 1 1 98 98 ARG HD2 H 1 3.206 0.006 . 2 . . . . 77 ARG HD1 . 15012 1
783 . 1 1 98 98 ARG HD3 H 1 2.934 0.006 . 2 . . . . 77 ARG HD2 . 15012 1
784 . 1 1 98 98 ARG C C 13 176.374 0.16 . 1 . . . . 77 ARG C . 15012 1
785 . 1 1 98 98 ARG CA C 13 56.442 0.16 . 1 . . . . 77 ARG CA . 15012 1
786 . 1 1 98 98 ARG CB C 13 30.927 0.16 . 1 . . . . 77 ARG CB . 15012 1
787 . 1 1 98 98 ARG CG C 13 26.755 0.16 . 1 . . . . 77 ARG CG . 15012 1
788 . 1 1 98 98 ARG CD C 13 43.888 0.16 . 1 . . . . 77 ARG CD . 15012 1
789 . 1 1 98 98 ARG N N 15 126.779 0.24 . 1 . . . . 77 ARG N . 15012 1
790 . 1 1 99 99 GLU H H 1 8.979 0.006 . 1 . . . . 78 GLU HN . 15012 1
791 . 1 1 99 99 GLU HA H 1 4.237 0.006 . 1 . . . . 78 GLU HA . 15012 1
792 . 1 1 99 99 GLU HB2 H 1 1.971 0.006 . 2 . . . . 78 GLU HB1 . 15012 1
793 . 1 1 99 99 GLU HB3 H 1 1.835 0.006 . 2 . . . . 78 GLU HB2 . 15012 1
794 . 1 1 99 99 GLU HG2 H 1 2.217 0.006 . 2 . . . . 78 GLU HG1 . 15012 1
795 . 1 1 99 99 GLU HG3 H 1 2.158 0.006 . 2 . . . . 78 GLU HG2 . 15012 1
796 . 1 1 99 99 GLU C C 13 175.269 0.16 . 1 . . . . 78 GLU C . 15012 1
797 . 1 1 99 99 GLU CA C 13 57.064 0.16 . 1 . . . . 78 GLU CA . 15012 1
798 . 1 1 99 99 GLU CB C 13 31.116 0.16 . 1 . . . . 78 GLU CB . 15012 1
799 . 1 1 99 99 GLU CG C 13 37.205 0.16 . 1 . . . . 78 GLU CG . 15012 1
800 . 1 1 99 99 GLU N N 15 130.748 0.24 . 1 . . . . 78 GLU N . 15012 1
801 . 1 1 100 100 LYS H H 1 8.012 0.006 . 1 . . . . 79 LYS HN . 15012 1
802 . 1 1 100 100 LYS HA H 1 4.117 0.006 . 1 . . . . 79 LYS HA . 15012 1
803 . 1 1 100 100 LYS HB2 H 1 1.744 0.006 . 2 . . . . 79 LYS HB1 . 15012 1
804 . 1 1 100 100 LYS HB3 H 1 1.686 0.006 . 2 . . . . 79 LYS HB2 . 15012 1
805 . 1 1 100 100 LYS HG2 H 1 1.361 0.006 . 1 . . . . 79 LYS HG1 . 15012 1
806 . 1 1 100 100 LYS HG3 H 1 1.361 0.006 . 1 . . . . 79 LYS HG2 . 15012 1
807 . 1 1 100 100 LYS HE2 H 1 2.976 0.006 . 1 . . . . 79 LYS HE1 . 15012 1
808 . 1 1 100 100 LYS HE3 H 1 2.976 0.006 . 1 . . . . 79 LYS HE2 . 15012 1
809 . 1 1 100 100 LYS CA C 13 57.819 0.16 . 1 . . . . 79 LYS CA . 15012 1
810 . 1 1 100 100 LYS CB C 13 33.816 0.16 . 1 . . . . 79 LYS CB . 15012 1
811 . 1 1 100 100 LYS CG C 13 24.637 0.16 . 1 . . . . 79 LYS CG . 15012 1
812 . 1 1 100 100 LYS CE C 13 42.064 0.16 . 1 . . . . 79 LYS CE . 15012 1
813 . 1 1 100 100 LYS N N 15 130.103 0.24 . 1 . . . . 79 LYS N . 15012 1
stop_
save_