data_52557
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52557
_Entry.Title
;
The 1H, 15N, and 13C resonance assignments of a single-domain antibody against imunnoglobulin G
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2024-07-16
_Entry.Accession_date 2024-07-16
_Entry.Last_release_date 2024-07-17
_Entry.Original_release_date 2024-07-17
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 Vanessa Leite . B.O. . 0000-0002-4839-5828 52557
2 Rafael 'de Andrade' . A. . 0000-0002-6616-9680 52557
3 Fabio Almeida . C.L. . 0000-0001-6046-7006 52557
4 Claudia Nascimento . J. . 0000-0001-8896-8654 52557
5 Talita 'de Araujo' . S. . 0000-0003-0509-0386 52557
6 Marcius Almeida . S. . 0000-0003-4921-8185 52557
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52557
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 469 52557
'15N chemical shifts' 123 52557
'1H chemical shifts' 734 52557
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 . . 2024-08-16 . original BMRB . 52557
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52557
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID .
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
The 1 H, 15 N, and 13 C resonance assignments of a single-domain antibody against imunnoglobulin G
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Biomol. NMR Assignments'
_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.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Vanessa Leite . B.O. . . 52557 1
2 Rafael 'de Andrade' . A. . . 52557 1
3 Fabio Almeida . C.L. . . 52557 1
4 Claudia Nascimento . J. . . 52557 1
5 Talita 'de Araujo' . S. . . 52557 1
6 Marcius Almeida . S. . . 52557 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'Single domain antibodies; Nanobodies; Variable heavy domain; Immunoglobulin G; Solution NMR' 52557 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52557
_Assembly.ID 1
_Assembly.Name 'Nanobody anti-IgG single polypeptide chain'
_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 yes
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'Nanobody anti-IgG' 1 $entity_1 . . yes native yes no . . . 52557 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_asym_ID_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_asym_ID_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . . . 52557 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52557
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity_1
_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
;
QVQLVESGGGLVQPGGSLRL
SCAASGFTFSDTWMNWVRQA
PGKGLYWISAINPDGGNTAY
ADSVKGRFTISRDNAKNMVY
LQMDNLRPEDTAMYYCAKGW
VRLPDPDLVRGQGTQVTVSS
HHHHHH
;
_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 126
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all disulfide bound'
_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 .
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 . GLN . 52557 1
2 . VAL . 52557 1
3 . GLN . 52557 1
4 . LEU . 52557 1
5 . VAL . 52557 1
6 . GLU . 52557 1
7 . SER . 52557 1
8 . GLY . 52557 1
9 . GLY . 52557 1
10 . GLY . 52557 1
11 . LEU . 52557 1
12 . VAL . 52557 1
13 . GLN . 52557 1
14 . PRO . 52557 1
15 . GLY . 52557 1
16 . GLY . 52557 1
17 . SER . 52557 1
18 . LEU . 52557 1
19 . ARG . 52557 1
20 . LEU . 52557 1
21 . SER . 52557 1
22 . CYS . 52557 1
23 . ALA . 52557 1
24 . ALA . 52557 1
25 . SER . 52557 1
26 . GLY . 52557 1
27 . PHE . 52557 1
28 . THR . 52557 1
29 . PHE . 52557 1
30 . SER . 52557 1
31 . ASP . 52557 1
32 . THR . 52557 1
33 . TRP . 52557 1
34 . MET . 52557 1
35 . ASN . 52557 1
36 . TRP . 52557 1
37 . VAL . 52557 1
38 . ARG . 52557 1
39 . GLN . 52557 1
40 . ALA . 52557 1
41 . PRO . 52557 1
42 . GLY . 52557 1
43 . LYS . 52557 1
44 . GLY . 52557 1
45 . LEU . 52557 1
46 . TYR . 52557 1
47 . TRP . 52557 1
48 . ILE . 52557 1
49 . SER . 52557 1
50 . ALA . 52557 1
51 . ILE . 52557 1
52 . ASN . 52557 1
53 . PRO . 52557 1
54 . ASP . 52557 1
55 . GLY . 52557 1
56 . GLY . 52557 1
57 . ASN . 52557 1
58 . THR . 52557 1
59 . ALA . 52557 1
60 . TYR . 52557 1
61 . ALA . 52557 1
62 . ASP . 52557 1
63 . SER . 52557 1
64 . VAL . 52557 1
65 . LYS . 52557 1
66 . GLY . 52557 1
67 . ARG . 52557 1
68 . PHE . 52557 1
69 . THR . 52557 1
70 . ILE . 52557 1
71 . SER . 52557 1
72 . ARG . 52557 1
73 . ASP . 52557 1
74 . ASN . 52557 1
75 . ALA . 52557 1
76 . LYS . 52557 1
77 . ASN . 52557 1
78 . MET . 52557 1
79 . VAL . 52557 1
80 . TYR . 52557 1
81 . LEU . 52557 1
82 . GLN . 52557 1
83 . MET . 52557 1
84 . ASP . 52557 1
85 . ASN . 52557 1
86 . LEU . 52557 1
87 . ARG . 52557 1
88 . PRO . 52557 1
89 . GLU . 52557 1
90 . ASP . 52557 1
91 . THR . 52557 1
92 . ALA . 52557 1
93 . MET . 52557 1
94 . TYR . 52557 1
95 . TYR . 52557 1
96 . CYS . 52557 1
97 . ALA . 52557 1
98 . LYS . 52557 1
99 . GLY . 52557 1
100 . TRP . 52557 1
101 . VAL . 52557 1
102 . ARG . 52557 1
103 . LEU . 52557 1
104 . PRO . 52557 1
105 . ASP . 52557 1
106 . PRO . 52557 1
107 . ASP . 52557 1
108 . LEU . 52557 1
109 . VAL . 52557 1
110 . ARG . 52557 1
111 . GLY . 52557 1
112 . GLN . 52557 1
113 . GLY . 52557 1
114 . THR . 52557 1
115 . GLN . 52557 1
116 . VAL . 52557 1
117 . THR . 52557 1
118 . VAL . 52557 1
119 . SER . 52557 1
120 . SER . 52557 1
121 . HIS . 52557 1
122 . HIS . 52557 1
123 . HIS . 52557 1
124 . HIS . 52557 1
125 . HIS . 52557 1
126 . HIS . 52557 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
. GLN 1 1 52557 1
. VAL 2 2 52557 1
. GLN 3 3 52557 1
. LEU 4 4 52557 1
. VAL 5 5 52557 1
. GLU 6 6 52557 1
. SER 7 7 52557 1
. GLY 8 8 52557 1
. GLY 9 9 52557 1
. GLY 10 10 52557 1
. LEU 11 11 52557 1
. VAL 12 12 52557 1
. GLN 13 13 52557 1
. PRO 14 14 52557 1
. GLY 15 15 52557 1
. GLY 16 16 52557 1
. SER 17 17 52557 1
. LEU 18 18 52557 1
. ARG 19 19 52557 1
. LEU 20 20 52557 1
. SER 21 21 52557 1
. CYS 22 22 52557 1
. ALA 23 23 52557 1
. ALA 24 24 52557 1
. SER 25 25 52557 1
. GLY 26 26 52557 1
. PHE 27 27 52557 1
. THR 28 28 52557 1
. PHE 29 29 52557 1
. SER 30 30 52557 1
. ASP 31 31 52557 1
. THR 32 32 52557 1
. TRP 33 33 52557 1
. MET 34 34 52557 1
. ASN 35 35 52557 1
. TRP 36 36 52557 1
. VAL 37 37 52557 1
. ARG 38 38 52557 1
. GLN 39 39 52557 1
. ALA 40 40 52557 1
. PRO 41 41 52557 1
. GLY 42 42 52557 1
. LYS 43 43 52557 1
. GLY 44 44 52557 1
. LEU 45 45 52557 1
. TYR 46 46 52557 1
. TRP 47 47 52557 1
. ILE 48 48 52557 1
. SER 49 49 52557 1
. ALA 50 50 52557 1
. ILE 51 51 52557 1
. ASN 52 52 52557 1
. PRO 53 53 52557 1
. ASP 54 54 52557 1
. GLY 55 55 52557 1
. GLY 56 56 52557 1
. ASN 57 57 52557 1
. THR 58 58 52557 1
. ALA 59 59 52557 1
. TYR 60 60 52557 1
. ALA 61 61 52557 1
. ASP 62 62 52557 1
. SER 63 63 52557 1
. VAL 64 64 52557 1
. LYS 65 65 52557 1
. GLY 66 66 52557 1
. ARG 67 67 52557 1
. PHE 68 68 52557 1
. THR 69 69 52557 1
. ILE 70 70 52557 1
. SER 71 71 52557 1
. ARG 72 72 52557 1
. ASP 73 73 52557 1
. ASN 74 74 52557 1
. ALA 75 75 52557 1
. LYS 76 76 52557 1
. ASN 77 77 52557 1
. MET 78 78 52557 1
. VAL 79 79 52557 1
. TYR 80 80 52557 1
. LEU 81 81 52557 1
. GLN 82 82 52557 1
. MET 83 83 52557 1
. ASP 84 84 52557 1
. ASN 85 85 52557 1
. LEU 86 86 52557 1
. ARG 87 87 52557 1
. PRO 88 88 52557 1
. GLU 89 89 52557 1
. ASP 90 90 52557 1
. THR 91 91 52557 1
. ALA 92 92 52557 1
. MET 93 93 52557 1
. TYR 94 94 52557 1
. TYR 95 95 52557 1
. CYS 96 96 52557 1
. ALA 97 97 52557 1
. LYS 98 98 52557 1
. GLY 99 99 52557 1
. TRP 100 100 52557 1
. VAL 101 101 52557 1
. ARG 102 102 52557 1
. LEU 103 103 52557 1
. PRO 104 104 52557 1
. ASP 105 105 52557 1
. PRO 106 106 52557 1
. ASP 107 107 52557 1
. LEU 108 108 52557 1
. VAL 109 109 52557 1
. ARG 110 110 52557 1
. GLY 111 111 52557 1
. GLN 112 112 52557 1
. GLY 113 113 52557 1
. THR 114 114 52557 1
. GLN 115 115 52557 1
. VAL 116 116 52557 1
. THR 117 117 52557 1
. VAL 118 118 52557 1
. SER 119 119 52557 1
. SER 120 120 52557 1
. HIS 121 121 52557 1
. HIS 122 122 52557 1
. HIS 123 123 52557 1
. HIS 124 124 52557 1
. HIS 125 125 52557 1
. HIS 126 126 52557 1
stop_
save_
####################
# Natural source #
####################
save_natural_source_1
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source_1
_Entity_natural_src_list.Entry_ID 52557
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 30538 organism . 'Vicugna pacos' 'Vicugna pacos' . . Eukaryota Metazoa Vicugna pacos . . . . . . . . . . . . . 52557 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source_1
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source_1
_Entity_experimental_src_list.Entry_ID 52557
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-25b(+) . . . 52557 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52557
_Sample.ID 1
_Sample.Name sdAb-mrh-IgG
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 Nanobody '[U-13C; U-15N]' . . 1 $entity_1 . . 500 . . uM . . . . 52557 1
2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52557 1
3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52557 1
4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 52557 1
5 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 52557 1
6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 52557 1
7 D2O 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 52557 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 52557
_Sample_condition_list.ID 1
_Sample_condition_list.Name sdAb_298K
_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' 150 . mM 52557 1
pH 6.5 . pH 52557 1
pressure 1 . atm 52557 1
temperature 298 . K 52557 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52557
_Software.ID 1
_Software.Type .
_Software.Name CcpNMR
_Software.Version 2.5.2
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52557 1
'data analysis' . 52557 1
'peak picking' . 52557 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52557
_Software.ID 2
_Software.Type .
_Software.Name TOPSPIN
_Software.Version 4.0.6
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 52557 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 52557
_Software.ID 3
_Software.Type .
_Software.Name NMRPipe
_Software.Version 2023.129.13.28
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 52557 3
stop_
save_
save_software_4
_Software.Sf_category software
_Software.Sf_framecode software_4
_Software.Entry_ID 52557
_Software.ID 4
_Software.Type .
_Software.Name NMRbox
_Software.Version 2024.26.0
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'data analysis' . 52557 4
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 52557
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Bruker 600'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 52557
_NMR_spectrometer.ID 2
_NMR_spectrometer.Name 'Bruker 900'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list_1
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list_1
_Experiment_list.Entry_ID 52557
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NUS_flag
_Experiment.Interleaved_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.Details
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
2 '1D 1H' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
3 '2D 1H-13C HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
4 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
5 '3D C(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
6 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
7 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
8 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
9 '3D HBHA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
10 '3D HCCH-TOCSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
11 '3D (H)CCH-TOCSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
12 '3D 1H-15N TOCSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52557 1
13 '3D 1H-15N NOESY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52557 1
14 '3D 1H-13C NOESY aliphatic' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52557 1
15 '3D 1H-13C NOESY aromatic' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52557 1
16 '3D HCCH-COSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52557 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chem_shift_reference_1
_Chem_shift_reference.Entry_ID 52557
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name chem_shift_sdAb-mrh-IgG
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52557 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52557 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52557 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52557
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name sdAb-mrh-IgG
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 52557 1
3 '2D 1H-13C HSQC' . . . 52557 1
4 '3D CBCA(CO)NH' . . . 52557 1
5 '3D C(CO)NH' . . . 52557 1
6 '3D HNCO' . . . 52557 1
7 '3D HNCA' . . . 52557 1
8 '3D HNCACB' . . . 52557 1
9 '3D HBHA(CO)NH' . . . 52557 1
10 '3D HCCH-TOCSY' . . . 52557 1
11 '3D (H)CCH-TOCSY' . . . 52557 1
12 '3D 1H-15N TOCSY' . . . 52557 1
13 '3D 1H-15N NOESY' . . . 52557 1
14 '3D 1H-13C NOESY aliphatic' . . . 52557 1
15 '3D 1H-13C NOESY aromatic' . . . 52557 1
16 '3D HCCH-COSY' . . . 52557 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 $software_1 . . 52557 1
2 $software_2 . . 52557 1
3 $software_3 . . 52557 1
4 $software_4 . . 52557 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 GLN HA H 1 4.434 0.003 . 1 . . . . . 1 GLN HA . 52557 1
2 . 1 . 1 1 1 GLN HB2 H 1 2.539 0.003 . 2 . . . . . 1 GLN HB2 . 52557 1
3 . 1 . 1 1 1 GLN HB3 H 1 2.046 0.002 . 2 . . . . . 1 GLN HB3 . 52557 1
4 . 1 . 1 1 1 GLN HG2 H 1 2.423 0.007 . 1 . . . . . 1 GLN HG2 . 52557 1
5 . 1 . 1 1 1 GLN HG3 H 1 2.423 0.007 . 1 . . . . . 1 GLN HG3 . 52557 1
6 . 1 . 1 1 1 GLN CA C 13 59.133 0.044 . 1 . . . . . 1 GLN CA . 52557 1
7 . 1 . 1 1 1 GLN CB C 13 28.035 0.718 . 1 . . . . . 1 GLN CB . 52557 1
8 . 1 . 1 1 1 GLN CG C 13 32.023 0.000 . 1 . . . . . 1 GLN CG . 52557 1
9 . 1 . 1 2 2 VAL H H 1 8.406 0.008 . 1 . . . . . 2 VAL H . 52557 1
10 . 1 . 1 2 2 VAL HA H 1 4.299 0.009 . 1 . . . . . 2 VAL HA . 52557 1
11 . 1 . 1 2 2 VAL HB H 1 1.982 0.007 . 1 . . . . . 2 VAL HB . 52557 1
12 . 1 . 1 2 2 VAL HG11 H 1 0.774 0.010 . 2 . . . . . 2 VAL HG11 . 52557 1
13 . 1 . 1 2 2 VAL HG12 H 1 0.774 0.010 . 2 . . . . . 2 VAL HG12 . 52557 1
14 . 1 . 1 2 2 VAL HG13 H 1 0.774 0.010 . 2 . . . . . 2 VAL HG13 . 52557 1
15 . 1 . 1 2 2 VAL HG21 H 1 0.966 0.008 . 2 . . . . . 2 VAL HG21 . 52557 1
16 . 1 . 1 2 2 VAL HG22 H 1 0.966 0.008 . 2 . . . . . 2 VAL HG22 . 52557 1
17 . 1 . 1 2 2 VAL HG23 H 1 0.966 0.008 . 2 . . . . . 2 VAL HG23 . 52557 1
18 . 1 . 1 2 2 VAL C C 13 177.420 0.000 . 1 . . . . . 2 VAL C . 52557 1
19 . 1 . 1 2 2 VAL CA C 13 63.861 0.074 . 1 . . . . . 2 VAL CA . 52557 1
20 . 1 . 1 2 2 VAL CB C 13 31.914 0.027 . 1 . . . . . 2 VAL CB . 52557 1
21 . 1 . 1 2 2 VAL CG1 C 13 21.424 0.000 . 2 . . . . . 2 VAL CG1 . 52557 1
22 . 1 . 1 2 2 VAL CG2 C 13 22.315 0.000 . 2 . . . . . 2 VAL CG2 . 52557 1
23 . 1 . 1 2 2 VAL N N 15 122.060 0.025 . 1 . . . . . 2 VAL N . 52557 1
24 . 1 . 1 3 3 GLN H H 1 8.706 0.004 . 1 . . . . . 3 GLN H . 52557 1
25 . 1 . 1 3 3 GLN HA H 1 4.708 0.005 . 1 . . . . . 3 GLN HA . 52557 1
26 . 1 . 1 3 3 GLN HB2 H 1 1.988 0.002 . 2 . . . . . 3 GLN HB2 . 52557 1
27 . 1 . 1 3 3 GLN HB3 H 1 1.890 0.005 . 2 . . . . . 3 GLN HB3 . 52557 1
28 . 1 . 1 3 3 GLN HG2 H 1 2.187 0.001 . 2 . . . . . 3 GLN HG2 . 52557 1
29 . 1 . 1 3 3 GLN HG3 H 1 2.226 0.020 . 2 . . . . . 3 GLN HG3 . 52557 1
30 . 1 . 1 3 3 GLN HE21 H 1 7.370 0.011 . 1 . . . . . 3 GLN HE21 . 52557 1
31 . 1 . 1 3 3 GLN HE22 H 1 6.813 0.007 . 1 . . . . . 3 GLN HE22 . 52557 1
32 . 1 . 1 3 3 GLN C C 13 176.087 0.000 . 1 . . . . . 3 GLN C . 52557 1
33 . 1 . 1 3 3 GLN CA C 13 55.517 0.031 . 1 . . . . . 3 GLN CA . 52557 1
34 . 1 . 1 3 3 GLN CB C 13 32.259 0.067 . 1 . . . . . 3 GLN CB . 52557 1
35 . 1 . 1 3 3 GLN CG C 13 34.257 0.000 . 1 . . . . . 3 GLN CG . 52557 1
36 . 1 . 1 3 3 GLN N N 15 127.563 0.052 . 1 . . . . . 3 GLN N . 52557 1
37 . 1 . 1 3 3 GLN NE2 N 15 111.407 0.025 . 1 . . . . . 3 GLN NE2 . 52557 1
38 . 1 . 1 4 4 LEU H H 1 8.270 0.007 . 1 . . . . . 4 LEU H . 52557 1
39 . 1 . 1 4 4 LEU HA H 1 5.086 0.003 . 1 . . . . . 4 LEU HA . 52557 1
40 . 1 . 1 4 4 LEU HB2 H 1 1.501 0.009 . 2 . . . . . 4 LEU HB2 . 52557 1
41 . 1 . 1 4 4 LEU HB3 H 1 1.207 0.015 . 2 . . . . . 4 LEU HB3 . 52557 1
42 . 1 . 1 4 4 LEU HG H 1 0.650 0.003 . 1 . . . . . 4 LEU HG . 52557 1
43 . 1 . 1 4 4 LEU HD11 H 1 0.992 0.014 . 1 . . . . . 4 LEU HD11 . 52557 1
44 . 1 . 1 4 4 LEU HD12 H 1 0.992 0.014 . 1 . . . . . 4 LEU HD12 . 52557 1
45 . 1 . 1 4 4 LEU HD13 H 1 0.992 0.014 . 1 . . . . . 4 LEU HD13 . 52557 1
46 . 1 . 1 4 4 LEU HD21 H 1 0.654 0.000 . 1 . . . . . 4 LEU HD21 . 52557 1
47 . 1 . 1 4 4 LEU HD22 H 1 0.654 0.000 . 1 . . . . . 4 LEU HD22 . 52557 1
48 . 1 . 1 4 4 LEU HD23 H 1 0.654 0.000 . 1 . . . . . 4 LEU HD23 . 52557 1
49 . 1 . 1 4 4 LEU C C 13 173.679 0.000 . 1 . . . . . 4 LEU C . 52557 1
50 . 1 . 1 4 4 LEU CA C 13 53.613 0.013 . 1 . . . . . 4 LEU CA . 52557 1
51 . 1 . 1 4 4 LEU CB C 13 44.472 0.045 . 1 . . . . . 4 LEU CB . 52557 1
52 . 1 . 1 4 4 LEU CG C 13 26.649 0.000 . 1 . . . . . 4 LEU CG . 52557 1
53 . 1 . 1 4 4 LEU CD1 C 13 25.134 0.000 . 1 . . . . . 4 LEU CD1 . 52557 1
54 . 1 . 1 4 4 LEU CD2 C 13 25.134 0.000 . 1 . . . . . 4 LEU CD2 . 52557 1
55 . 1 . 1 4 4 LEU N N 15 125.678 0.023 . 1 . . . . . 4 LEU N . 52557 1
56 . 1 . 1 5 5 VAL H H 1 8.580 0.009 . 1 . . . . . 5 VAL H . 52557 1
57 . 1 . 1 5 5 VAL HA H 1 4.453 0.003 . 1 . . . . . 5 VAL HA . 52557 1
58 . 1 . 1 5 5 VAL HB H 1 2.096 0.005 . 1 . . . . . 5 VAL HB . 52557 1
59 . 1 . 1 5 5 VAL HG11 H 1 0.954 0.006 . 2 . . . . . 5 VAL HG11 . 52557 1
60 . 1 . 1 5 5 VAL HG12 H 1 0.954 0.006 . 2 . . . . . 5 VAL HG12 . 52557 1
61 . 1 . 1 5 5 VAL HG13 H 1 0.954 0.006 . 2 . . . . . 5 VAL HG13 . 52557 1
62 . 1 . 1 5 5 VAL HG21 H 1 0.825 0.001 . 2 . . . . . 5 VAL HG21 . 52557 1
63 . 1 . 1 5 5 VAL HG22 H 1 0.825 0.001 . 2 . . . . . 5 VAL HG22 . 52557 1
64 . 1 . 1 5 5 VAL HG23 H 1 0.825 0.001 . 2 . . . . . 5 VAL HG23 . 52557 1
65 . 1 . 1 5 5 VAL C C 13 175.517 0.000 . 1 . . . . . 5 VAL C . 52557 1
66 . 1 . 1 5 5 VAL CA C 13 62.112 0.055 . 1 . . . . . 5 VAL CA . 52557 1
67 . 1 . 1 5 5 VAL CB C 13 34.912 0.028 . 1 . . . . . 5 VAL CB . 52557 1
68 . 1 . 1 5 5 VAL CG1 C 13 20.890 0.000 . 1 . . . . . 5 VAL CG1 . 52557 1
69 . 1 . 1 5 5 VAL CG2 C 13 20.890 0.000 . 1 . . . . . 5 VAL CG2 . 52557 1
70 . 1 . 1 5 5 VAL N N 15 120.807 0.032 . 1 . . . . . 5 VAL N . 52557 1
71 . 1 . 1 6 6 GLU H H 1 10.077 0.005 . 1 . . . . . 6 GLU H . 52557 1
72 . 1 . 1 6 6 GLU HA H 1 5.639 0.002 . 1 . . . . . 6 GLU HA . 52557 1
73 . 1 . 1 6 6 GLU HB2 H 1 2.158 0.010 . 2 . . . . . 6 GLU HB2 . 52557 1
74 . 1 . 1 6 6 GLU HB3 H 1 2.059 0.010 . 2 . . . . . 6 GLU HB3 . 52557 1
75 . 1 . 1 6 6 GLU HG2 H 1 2.902 0.004 . 2 . . . . . 6 GLU HG2 . 52557 1
76 . 1 . 1 6 6 GLU HG3 H 1 2.435 0.008 . 2 . . . . . 6 GLU HG3 . 52557 1
77 . 1 . 1 6 6 GLU C C 13 176.320 0.000 . 1 . . . . . 6 GLU C . 52557 1
78 . 1 . 1 6 6 GLU CA C 13 57.252 0.009 . 1 . . . . . 6 GLU CA . 52557 1
79 . 1 . 1 6 6 GLU CB C 13 30.721 0.012 . 1 . . . . . 6 GLU CB . 52557 1
80 . 1 . 1 6 6 GLU CG C 13 37.509 0.082 . 1 . . . . . 6 GLU CG . 52557 1
81 . 1 . 1 6 6 GLU N N 15 132.081 0.035 . 1 . . . . . 6 GLU N . 52557 1
82 . 1 . 1 7 7 SER H H 1 9.484 0.005 . 1 . . . . . 7 SER H . 52557 1
83 . 1 . 1 7 7 SER HA H 1 4.743 0.002 . 1 . . . . . 7 SER HA . 52557 1
84 . 1 . 1 7 7 SER HB2 H 1 3.909 0.007 . 1 . . . . . 7 SER HB2 . 52557 1
85 . 1 . 1 7 7 SER HB3 H 1 3.909 0.007 . 1 . . . . . 7 SER HB3 . 52557 1
86 . 1 . 1 7 7 SER C C 13 176.884 0.000 . 1 . . . . . 7 SER C . 52557 1
87 . 1 . 1 7 7 SER CA C 13 58.143 0.002 . 1 . . . . . 7 SER CA . 52557 1
88 . 1 . 1 7 7 SER CB C 13 65.614 0.039 . 1 . . . . . 7 SER CB . 52557 1
89 . 1 . 1 7 7 SER N N 15 114.812 0.044 . 1 . . . . . 7 SER N . 52557 1
90 . 1 . 1 8 8 GLY H H 1 8.694 0.005 . 1 . . . . . 8 GLY H . 52557 1
91 . 1 . 1 8 8 GLY HA2 H 1 3.726 0.006 . 2 . . . . . 8 GLY HA2 . 52557 1
92 . 1 . 1 8 8 GLY HA3 H 1 4.689 0.004 . 2 . . . . . 8 GLY HA3 . 52557 1
93 . 1 . 1 8 8 GLY C C 13 173.419 0.000 . 1 . . . . . 8 GLY C . 52557 1
94 . 1 . 1 8 8 GLY CA C 13 45.066 0.019 . 1 . . . . . 8 GLY CA . 52557 1
95 . 1 . 1 8 8 GLY N N 15 107.357 0.008 . 1 . . . . . 8 GLY N . 52557 1
96 . 1 . 1 9 9 GLY H H 1 7.736 0.003 . 1 . . . . . 9 GLY H . 52557 1
97 . 1 . 1 9 9 GLY HA2 H 1 3.484 0.004 . 2 . . . . . 9 GLY HA2 . 52557 1
98 . 1 . 1 9 9 GLY HA3 H 1 3.925 0.005 . 2 . . . . . 9 GLY HA3 . 52557 1
99 . 1 . 1 9 9 GLY C C 13 174.437 0.000 . 1 . . . . . 9 GLY C . 52557 1
100 . 1 . 1 9 9 GLY CA C 13 45.501 0.055 . 1 . . . . . 9 GLY CA . 52557 1
101 . 1 . 1 9 9 GLY N N 15 106.539 0.031 . 1 . . . . . 9 GLY N . 52557 1
102 . 1 . 1 10 10 GLY H H 1 7.250 0.004 . 1 . . . . . 10 GLY H . 52557 1
103 . 1 . 1 10 10 GLY HA2 H 1 3.973 0.006 . 2 . . . . . 10 GLY HA2 . 52557 1
104 . 1 . 1 10 10 GLY HA3 H 1 4.059 0.007 . 2 . . . . . 10 GLY HA3 . 52557 1
105 . 1 . 1 10 10 GLY C C 13 172.954 0.000 . 1 . . . . . 10 GLY C . 52557 1
106 . 1 . 1 10 10 GLY CA C 13 45.076 0.025 . 1 . . . . . 10 GLY CA . 52557 1
107 . 1 . 1 10 10 GLY N N 15 107.205 0.038 . 1 . . . . . 10 GLY N . 52557 1
108 . 1 . 1 11 11 LEU H H 1 8.115 0.005 . 1 . . . . . 11 LEU H . 52557 1
109 . 1 . 1 11 11 LEU HA H 1 5.286 0.003 . 1 . . . . . 11 LEU HA . 52557 1
110 . 1 . 1 11 11 LEU HB2 H 1 1.544 0.007 . 2 . . . . . 11 LEU HB2 . 52557 1
111 . 1 . 1 11 11 LEU HB3 H 1 1.394 0.010 . 2 . . . . . 11 LEU HB3 . 52557 1
112 . 1 . 1 11 11 LEU HG H 1 1.350 0.008 . 1 . . . . . 11 LEU HG . 52557 1
113 . 1 . 1 11 11 LEU HD11 H 1 0.759 0.008 . 2 . . . . . 11 LEU HD11 . 52557 1
114 . 1 . 1 11 11 LEU HD12 H 1 0.759 0.008 . 2 . . . . . 11 LEU HD12 . 52557 1
115 . 1 . 1 11 11 LEU HD13 H 1 0.759 0.008 . 2 . . . . . 11 LEU HD13 . 52557 1
116 . 1 . 1 11 11 LEU HD21 H 1 0.710 0.011 . 2 . . . . . 11 LEU HD21 . 52557 1
117 . 1 . 1 11 11 LEU HD22 H 1 0.710 0.011 . 2 . . . . . 11 LEU HD22 . 52557 1
118 . 1 . 1 11 11 LEU HD23 H 1 0.710 0.011 . 2 . . . . . 11 LEU HD23 . 52557 1
119 . 1 . 1 11 11 LEU C C 13 170.322 0.000 . 1 . . . . . 11 LEU C . 52557 1
120 . 1 . 1 11 11 LEU CA C 13 54.148 0.013 . 1 . . . . . 11 LEU CA . 52557 1
121 . 1 . 1 11 11 LEU CB C 13 43.325 0.023 . 1 . . . . . 11 LEU CB . 52557 1
122 . 1 . 1 11 11 LEU CG C 13 27.694 0.000 . 1 . . . . . 11 LEU CG . 52557 1
123 . 1 . 1 11 11 LEU CD1 C 13 24.327 0.000 . 2 . . . . . 11 LEU CD1 . 52557 1
124 . 1 . 1 11 11 LEU CD2 C 13 25.275 0.000 . 2 . . . . . 11 LEU CD2 . 52557 1
125 . 1 . 1 11 11 LEU N N 15 122.789 0.013 . 1 . . . . . 11 LEU N . 52557 1
126 . 1 . 1 12 12 VAL H H 1 8.980 0.004 . 1 . . . . . 12 VAL H . 52557 1
127 . 1 . 1 12 12 VAL HA H 1 4.530 0.003 . 1 . . . . . 12 VAL HA . 52557 1
128 . 1 . 1 12 12 VAL HB H 1 1.922 0.005 . 1 . . . . . 12 VAL HB . 52557 1
129 . 1 . 1 12 12 VAL HG11 H 1 0.770 0.000 . 2 . . . . . 12 VAL HG11 . 52557 1
130 . 1 . 1 12 12 VAL HG12 H 1 0.770 0.000 . 2 . . . . . 12 VAL HG12 . 52557 1
131 . 1 . 1 12 12 VAL HG13 H 1 0.770 0.000 . 2 . . . . . 12 VAL HG13 . 52557 1
132 . 1 . 1 12 12 VAL HG21 H 1 0.801 0.007 . 2 . . . . . 12 VAL HG21 . 52557 1
133 . 1 . 1 12 12 VAL HG22 H 1 0.801 0.007 . 2 . . . . . 12 VAL HG22 . 52557 1
134 . 1 . 1 12 12 VAL HG23 H 1 0.801 0.007 . 2 . . . . . 12 VAL HG23 . 52557 1
135 . 1 . 1 12 12 VAL C C 13 176.663 0.000 . 1 . . . . . 12 VAL C . 52557 1
136 . 1 . 1 12 12 VAL CA C 13 59.553 0.004 . 1 . . . . . 12 VAL CA . 52557 1
137 . 1 . 1 12 12 VAL CB C 13 35.736 0.018 . 1 . . . . . 12 VAL CB . 52557 1
138 . 1 . 1 12 12 VAL CG1 C 13 20.988 0.000 . 2 . . . . . 12 VAL CG1 . 52557 1
139 . 1 . 1 12 12 VAL CG2 C 13 21.651 0.000 . 2 . . . . . 12 VAL CG2 . 52557 1
140 . 1 . 1 12 12 VAL N N 15 123.864 0.016 . 1 . . . . . 12 VAL N . 52557 1
141 . 1 . 1 13 13 GLN H H 1 8.208 0.007 . 1 . . . . . 13 GLN H . 52557 1
142 . 1 . 1 13 13 GLN HA H 1 4.692 0.007 . 1 . . . . . 13 GLN HA . 52557 1
143 . 1 . 1 13 13 GLN HB2 H 1 1.831 0.005 . 2 . . . . . 13 GLN HB2 . 52557 1
144 . 1 . 1 13 13 GLN HB3 H 1 2.018 0.005 . 2 . . . . . 13 GLN HB3 . 52557 1
145 . 1 . 1 13 13 GLN HG2 H 1 2.363 0.011 . 2 . . . . . 13 GLN HG2 . 52557 1
146 . 1 . 1 13 13 GLN HG3 H 1 2.020 0.005 . 2 . . . . . 13 GLN HG3 . 52557 1
147 . 1 . 1 13 13 GLN HE21 H 1 7.590 0.004 . 1 . . . . . 13 GLN HE21 . 52557 1
148 . 1 . 1 13 13 GLN HE22 H 1 6.737 0.005 . 1 . . . . . 13 GLN HE22 . 52557 1
149 . 1 . 1 13 13 GLN C C 13 173.236 0.000 . 1 . . . . . 13 GLN C . 52557 1
150 . 1 . 1 13 13 GLN CA C 13 53.717 0.023 . 1 . . . . . 13 GLN CA . 52557 1
151 . 1 . 1 13 13 GLN CB C 13 27.945 0.059 . 1 . . . . . 13 GLN CB . 52557 1
152 . 1 . 1 13 13 GLN CG C 13 33.685 0.005 . 1 . . . . . 13 GLN CG . 52557 1
153 . 1 . 1 13 13 GLN N N 15 122.173 0.032 . 1 . . . . . 13 GLN N . 52557 1
154 . 1 . 1 13 13 GLN NE2 N 15 114.558 0.012 . 1 . . . . . 13 GLN NE2 . 52557 1
155 . 1 . 1 14 14 PRO HA H 1 3.891 0.005 . 1 . . . . . 14 PRO HA . 52557 1
156 . 1 . 1 14 14 PRO HB2 H 1 2.155 0.006 . 2 . . . . . 14 PRO HB2 . 52557 1
157 . 1 . 1 14 14 PRO HB3 H 1 1.904 0.002 . 2 . . . . . 14 PRO HB3 . 52557 1
158 . 1 . 1 14 14 PRO CA C 13 63.759 0.050 . 1 . . . . . 14 PRO CA . 52557 1
159 . 1 . 1 14 14 PRO CB C 13 31.386 0.004 . 1 . . . . . 14 PRO CB . 52557 1
160 . 1 . 1 15 15 GLY H H 1 9.842 0.005 . 1 . . . . . 15 GLY H . 52557 1
161 . 1 . 1 15 15 GLY HA2 H 1 3.776 0.002 . 2 . . . . . 15 GLY HA2 . 52557 1
162 . 1 . 1 15 15 GLY HA3 H 1 4.397 0.001 . 2 . . . . . 15 GLY HA3 . 52557 1
163 . 1 . 1 15 15 GLY C C 13 177.469 0.000 . 1 . . . . . 15 GLY C . 52557 1
164 . 1 . 1 15 15 GLY CA C 13 44.895 0.023 . 1 . . . . . 15 GLY CA . 52557 1
165 . 1 . 1 15 15 GLY N N 15 114.678 0.024 . 1 . . . . . 15 GLY N . 52557 1
166 . 1 . 1 16 16 GLY H H 1 8.417 0.007 . 1 . . . . . 16 GLY H . 52557 1
167 . 1 . 1 16 16 GLY HA2 H 1 3.701 0.006 . 2 . . . . . 16 GLY HA2 . 52557 1
168 . 1 . 1 16 16 GLY HA3 H 1 4.285 0.017 . 2 . . . . . 16 GLY HA3 . 52557 1
169 . 1 . 1 16 16 GLY C C 13 175.322 0.000 . 1 . . . . . 16 GLY C . 52557 1
170 . 1 . 1 16 16 GLY CA C 13 44.697 0.011 . 1 . . . . . 16 GLY CA . 52557 1
171 . 1 . 1 16 16 GLY N N 15 109.340 0.018 . 1 . . . . . 16 GLY N . 52557 1
172 . 1 . 1 17 17 SER H H 1 7.871 0.005 . 1 . . . . . 17 SER H . 52557 1
173 . 1 . 1 17 17 SER HA H 1 5.751 0.002 . 1 . . . . . 17 SER HA . 52557 1
174 . 1 . 1 17 17 SER HB2 H 1 3.715 0.001 . 2 . . . . . 17 SER HB2 . 52557 1
175 . 1 . 1 17 17 SER HB3 H 1 3.560 0.003 . 2 . . . . . 17 SER HB3 . 52557 1
176 . 1 . 1 17 17 SER C C 13 170.614 0.000 . 1 . . . . . 17 SER C . 52557 1
177 . 1 . 1 17 17 SER CA C 13 56.941 0.062 . 1 . . . . . 17 SER CA . 52557 1
178 . 1 . 1 17 17 SER CB C 13 67.129 0.044 . 1 . . . . . 17 SER CB . 52557 1
179 . 1 . 1 17 17 SER N N 15 110.514 0.019 . 1 . . . . . 17 SER N . 52557 1
180 . 1 . 1 18 18 LEU H H 1 8.686 0.007 . 1 . . . . . 18 LEU H . 52557 1
181 . 1 . 1 18 18 LEU HA H 1 4.329 0.006 . 1 . . . . . 18 LEU HA . 52557 1
182 . 1 . 1 18 18 LEU HB2 H 1 1.217 0.005 . 1 . . . . . 18 LEU HB2 . 52557 1
183 . 1 . 1 18 18 LEU HB3 H 1 1.217 0.005 . 1 . . . . . 18 LEU HB3 . 52557 1
184 . 1 . 1 18 18 LEU HG H 1 1.222 0.005 . 1 . . . . . 18 LEU HG . 52557 1
185 . 1 . 1 18 18 LEU HD11 H 1 0.695 0.012 . 1 . . . . . 18 LEU HD11 . 52557 1
186 . 1 . 1 18 18 LEU HD12 H 1 0.695 0.012 . 1 . . . . . 18 LEU HD12 . 52557 1
187 . 1 . 1 18 18 LEU HD13 H 1 0.695 0.012 . 1 . . . . . 18 LEU HD13 . 52557 1
188 . 1 . 1 18 18 LEU C C 13 173.178 0.000 . 1 . . . . . 18 LEU C . 52557 1
189 . 1 . 1 18 18 LEU CA C 13 54.469 0.052 . 1 . . . . . 18 LEU CA . 52557 1
190 . 1 . 1 18 18 LEU CB C 13 48.135 0.022 . 1 . . . . . 18 LEU CB . 52557 1
191 . 1 . 1 18 18 LEU CG C 13 26.816 0.027 . 1 . . . . . 18 LEU CG . 52557 1
192 . 1 . 1 18 18 LEU CD1 C 13 25.931 0.000 . 1 . . . . . 18 LEU CD1 . 52557 1
193 . 1 . 1 18 18 LEU N N 15 122.565 0.027 . 1 . . . . . 18 LEU N . 52557 1
194 . 1 . 1 19 19 ARG H H 1 8.027 0.004 . 1 . . . . . 19 ARG H . 52557 1
195 . 1 . 1 19 19 ARG HA H 1 4.974 0.003 . 1 . . . . . 19 ARG HA . 52557 1
196 . 1 . 1 19 19 ARG HB2 H 1 1.641 0.006 . 1 . . . . . 19 ARG HB2 . 52557 1
197 . 1 . 1 19 19 ARG HB3 H 1 1.641 0.006 . 1 . . . . . 19 ARG HB3 . 52557 1
198 . 1 . 1 19 19 ARG HG2 H 1 1.232 0.009 . 1 . . . . . 19 ARG HG2 . 52557 1
199 . 1 . 1 19 19 ARG HG3 H 1 1.232 0.009 . 1 . . . . . 19 ARG HG3 . 52557 1
200 . 1 . 1 19 19 ARG HD2 H 1 2.944 0.003 . 1 . . . . . 19 ARG HD2 . 52557 1
201 . 1 . 1 19 19 ARG HD3 H 1 2.944 0.003 . 1 . . . . . 19 ARG HD3 . 52557 1
202 . 1 . 1 19 19 ARG C C 13 173.432 0.000 . 1 . . . . . 19 ARG C . 52557 1
203 . 1 . 1 19 19 ARG CA C 13 54.443 0.068 . 1 . . . . . 19 ARG CA . 52557 1
204 . 1 . 1 19 19 ARG CB C 13 32.468 0.038 . 1 . . . . . 19 ARG CB . 52557 1
205 . 1 . 1 19 19 ARG CG C 13 27.989 0.075 . 1 . . . . . 19 ARG CG . 52557 1
206 . 1 . 1 19 19 ARG CD C 13 43.617 0.026 . 1 . . . . . 19 ARG CD . 52557 1
207 . 1 . 1 19 19 ARG N N 15 122.150 0.043 . 1 . . . . . 19 ARG N . 52557 1
208 . 1 . 1 20 20 LEU H H 1 8.918 0.004 . 1 . . . . . 20 LEU H . 52557 1
209 . 1 . 1 20 20 LEU HA H 1 4.933 0.021 . 1 . . . . . 20 LEU HA . 52557 1
210 . 1 . 1 20 20 LEU HB2 H 1 1.155 0.014 . 2 . . . . . 20 LEU HB2 . 52557 1
211 . 1 . 1 20 20 LEU HB3 H 1 0.832 0.005 . 2 . . . . . 20 LEU HB3 . 52557 1
212 . 1 . 1 20 20 LEU HG H 1 -0.146 0.005 . 1 . . . . . 20 LEU HG . 52557 1
213 . 1 . 1 20 20 LEU HD11 H 1 0.184 0.005 . 1 . . . . . 20 LEU HD11 . 52557 1
214 . 1 . 1 20 20 LEU HD12 H 1 0.184 0.005 . 1 . . . . . 20 LEU HD12 . 52557 1
215 . 1 . 1 20 20 LEU HD13 H 1 0.184 0.005 . 1 . . . . . 20 LEU HD13 . 52557 1
216 . 1 . 1 20 20 LEU HD21 H 1 -0.146 0.005 . 1 . . . . . 20 LEU HD21 . 52557 1
217 . 1 . 1 20 20 LEU HD22 H 1 -0.146 0.005 . 1 . . . . . 20 LEU HD22 . 52557 1
218 . 1 . 1 20 20 LEU HD23 H 1 -0.146 0.005 . 1 . . . . . 20 LEU HD23 . 52557 1
219 . 1 . 1 20 20 LEU C C 13 175.562 0.000 . 1 . . . . . 20 LEU C . 52557 1
220 . 1 . 1 20 20 LEU CA C 13 52.977 0.103 . 1 . . . . . 20 LEU CA . 52557 1
221 . 1 . 1 20 20 LEU CB C 13 43.387 0.031 . 1 . . . . . 20 LEU CB . 52557 1
222 . 1 . 1 20 20 LEU CG C 13 26.161 0.000 . 1 . . . . . 20 LEU CG . 52557 1
223 . 1 . 1 20 20 LEU CD1 C 13 20.604 0.059 . 1 . . . . . 20 LEU CD1 . 52557 1
224 . 1 . 1 20 20 LEU CD2 C 13 20.567 0.000 . 1 . . . . . 20 LEU CD2 . 52557 1
225 . 1 . 1 20 20 LEU N N 15 127.060 0.019 . 1 . . . . . 20 LEU N . 52557 1
226 . 1 . 1 21 21 SER H H 1 8.823 0.008 . 1 . . . . . 21 SER H . 52557 1
227 . 1 . 1 21 21 SER HA H 1 5.493 0.001 . 1 . . . . . 21 SER HA . 52557 1
228 . 1 . 1 21 21 SER HB2 H 1 3.764 0.011 . 1 . . . . . 21 SER HB2 . 52557 1
229 . 1 . 1 21 21 SER HB3 H 1 3.764 0.011 . 1 . . . . . 21 SER HB3 . 52557 1
230 . 1 . 1 21 21 SER C C 13 176.915 0.000 . 1 . . . . . 21 SER C . 52557 1
231 . 1 . 1 21 21 SER CA C 13 57.406 0.025 . 1 . . . . . 21 SER CA . 52557 1
232 . 1 . 1 21 21 SER CB C 13 66.906 0.042 . 1 . . . . . 21 SER CB . 52557 1
233 . 1 . 1 21 21 SER N N 15 114.185 0.025 . 1 . . . . . 21 SER N . 52557 1
234 . 1 . 1 22 22 CYS H H 1 8.984 0.006 . 1 . . . . . 22 CYS H . 52557 1
235 . 1 . 1 22 22 CYS HA H 1 5.196 0.008 . 1 . . . . . 22 CYS HA . 52557 1
236 . 1 . 1 22 22 CYS HB2 H 1 2.748 0.002 . 2 . . . . . 22 CYS HB2 . 52557 1
237 . 1 . 1 22 22 CYS HB3 H 1 3.233 0.004 . 2 . . . . . 22 CYS HB3 . 52557 1
238 . 1 . 1 22 22 CYS C C 13 172.651 0.000 . 1 . . . . . 22 CYS C . 52557 1
239 . 1 . 1 22 22 CYS CA C 13 54.023 0.024 . 1 . . . . . 22 CYS CA . 52557 1
240 . 1 . 1 22 22 CYS CB C 13 43.088 0.042 . 1 . . . . . 22 CYS CB . 52557 1
241 . 1 . 1 22 22 CYS N N 15 123.115 0.028 . 1 . . . . . 22 CYS N . 52557 1
242 . 1 . 1 23 23 ALA H H 1 8.558 0.008 . 1 . . . . . 23 ALA H . 52557 1
243 . 1 . 1 23 23 ALA HA H 1 5.120 0.005 . 1 . . . . . 23 ALA HA . 52557 1
244 . 1 . 1 23 23 ALA HB1 H 1 1.333 0.001 . 1 . . . . . 23 ALA HB1 . 52557 1
245 . 1 . 1 23 23 ALA HB2 H 1 1.333 0.001 . 1 . . . . . 23 ALA HB2 . 52557 1
246 . 1 . 1 23 23 ALA HB3 H 1 1.333 0.001 . 1 . . . . . 23 ALA HB3 . 52557 1
247 . 1 . 1 23 23 ALA C C 13 171.288 0.000 . 1 . . . . . 23 ALA C . 52557 1
248 . 1 . 1 23 23 ALA CA C 13 51.167 0.078 . 1 . . . . . 23 ALA CA . 52557 1
249 . 1 . 1 23 23 ALA CB C 13 20.474 0.022 . 1 . . . . . 23 ALA CB . 52557 1
250 . 1 . 1 23 23 ALA N N 15 130.717 0.017 . 1 . . . . . 23 ALA N . 52557 1
251 . 1 . 1 24 24 ALA H H 1 8.233 0.007 . 1 . . . . . 24 ALA H . 52557 1
252 . 1 . 1 24 24 ALA HA H 1 5.535 0.005 . 1 . . . . . 24 ALA HA . 52557 1
253 . 1 . 1 24 24 ALA HB1 H 1 1.235 0.006 . 1 . . . . . 24 ALA HB1 . 52557 1
254 . 1 . 1 24 24 ALA HB2 H 1 1.235 0.006 . 1 . . . . . 24 ALA HB2 . 52557 1
255 . 1 . 1 24 24 ALA HB3 H 1 1.235 0.006 . 1 . . . . . 24 ALA HB3 . 52557 1
256 . 1 . 1 24 24 ALA C C 13 176.760 0.000 . 1 . . . . . 24 ALA C . 52557 1
257 . 1 . 1 24 24 ALA CA C 13 50.552 0.037 . 1 . . . . . 24 ALA CA . 52557 1
258 . 1 . 1 24 24 ALA CB C 13 24.545 0.021 . 1 . . . . . 24 ALA CB . 52557 1
259 . 1 . 1 24 24 ALA N N 15 127.478 0.032 . 1 . . . . . 24 ALA N . 52557 1
260 . 1 . 1 25 25 SER H H 1 8.976 0.006 . 1 . . . . . 25 SER H . 52557 1
261 . 1 . 1 25 25 SER HA H 1 4.595 0.002 . 1 . . . . . 25 SER HA . 52557 1
262 . 1 . 1 25 25 SER HB2 H 1 3.850 0.003 . 1 . . . . . 25 SER HB2 . 52557 1
263 . 1 . 1 25 25 SER HB3 H 1 3.850 0.003 . 1 . . . . . 25 SER HB3 . 52557 1
264 . 1 . 1 25 25 SER C C 13 176.316 0.000 . 1 . . . . . 25 SER C . 52557 1
265 . 1 . 1 25 25 SER CA C 13 58.026 0.078 . 1 . . . . . 25 SER CA . 52557 1
266 . 1 . 1 25 25 SER CB C 13 65.621 0.027 . 1 . . . . . 25 SER CB . 52557 1
267 . 1 . 1 25 25 SER N N 15 113.835 0.016 . 1 . . . . . 25 SER N . 52557 1
268 . 1 . 1 26 26 GLY H H 1 8.704 0.006 . 1 . . . . . 26 GLY H . 52557 1
269 . 1 . 1 26 26 GLY HA2 H 1 4.558 0.013 . 2 . . . . . 26 GLY HA2 . 52557 1
270 . 1 . 1 26 26 GLY HA3 H 1 3.713 0.003 . 2 . . . . . 26 GLY HA3 . 52557 1
271 . 1 . 1 26 26 GLY C C 13 174.335 0.000 . 1 . . . . . 26 GLY C . 52557 1
272 . 1 . 1 26 26 GLY CA C 13 46.033 0.079 . 1 . . . . . 26 GLY CA . 52557 1
273 . 1 . 1 26 26 GLY N N 15 107.344 0.015 . 1 . . . . . 26 GLY N . 52557 1
274 . 1 . 1 27 27 PHE H H 1 7.358 0.004 . 1 . . . . . 27 PHE H . 52557 1
275 . 1 . 1 27 27 PHE HA H 1 4.929 0.001 . 1 . . . . . 27 PHE HA . 52557 1
276 . 1 . 1 27 27 PHE HB2 H 1 3.210 0.001 . 2 . . . . . 27 PHE HB2 . 52557 1
277 . 1 . 1 27 27 PHE HB3 H 1 3.155 0.001 . 2 . . . . . 27 PHE HB3 . 52557 1
278 . 1 . 1 27 27 PHE C C 13 173.667 0.000 . 1 . . . . . 27 PHE C . 52557 1
279 . 1 . 1 27 27 PHE CA C 13 54.876 0.048 . 1 . . . . . 27 PHE CA . 52557 1
280 . 1 . 1 27 27 PHE CB C 13 39.240 0.008 . 1 . . . . . 27 PHE CB . 52557 1
281 . 1 . 1 27 27 PHE N N 15 113.356 0.116 . 1 . . . . . 27 PHE N . 52557 1
282 . 1 . 1 28 28 THR HA H 1 4.248 0.002 . 1 . . . . . 28 THR HA . 52557 1
283 . 1 . 1 28 28 THR HB H 1 4.328 0.001 . 1 . . . . . 28 THR HB . 52557 1
284 . 1 . 1 28 28 THR HG21 H 1 1.197 0.014 . 1 . . . . . 28 THR HG21 . 52557 1
285 . 1 . 1 28 28 THR HG22 H 1 1.197 0.014 . 1 . . . . . 28 THR HG22 . 52557 1
286 . 1 . 1 28 28 THR HG23 H 1 1.197 0.014 . 1 . . . . . 28 THR HG23 . 52557 1
287 . 1 . 1 28 28 THR CA C 13 61.870 0.000 . 1 . . . . . 28 THR CA . 52557 1
288 . 1 . 1 28 28 THR CB C 13 66.832 0.014 . 1 . . . . . 28 THR CB . 52557 1
289 . 1 . 1 28 28 THR CG2 C 13 22.904 0.000 . 1 . . . . . 28 THR CG2 . 52557 1
290 . 1 . 1 29 29 PHE H H 1 8.362 0.003 . 1 . . . . . 29 PHE H . 52557 1
291 . 1 . 1 29 29 PHE HA H 1 3.731 0.003 . 1 . . . . . 29 PHE HA . 52557 1
292 . 1 . 1 29 29 PHE HB2 H 1 2.538 0.011 . 2 . . . . . 29 PHE HB2 . 52557 1
293 . 1 . 1 29 29 PHE HB3 H 1 2.978 0.005 . 2 . . . . . 29 PHE HB3 . 52557 1
294 . 1 . 1 29 29 PHE HD1 H 1 7.043 0.009 . 1 . . . . . 29 PHE HD1 . 52557 1
295 . 1 . 1 29 29 PHE HD2 H 1 7.043 0.009 . 1 . . . . . 29 PHE HD2 . 52557 1
296 . 1 . 1 29 29 PHE HE1 H 1 7.283 0.010 . 1 . . . . . 29 PHE HE1 . 52557 1
297 . 1 . 1 29 29 PHE HE2 H 1 7.283 0.010 . 1 . . . . . 29 PHE HE2 . 52557 1
298 . 1 . 1 29 29 PHE HZ H 1 7.094 0.000 . 1 . . . . . 29 PHE HZ . 52557 1
299 . 1 . 1 29 29 PHE C C 13 175.023 0.000 . 1 . . . . . 29 PHE C . 52557 1
300 . 1 . 1 29 29 PHE CA C 13 62.214 0.035 . 1 . . . . . 29 PHE CA . 52557 1
301 . 1 . 1 29 29 PHE CB C 13 39.950 0.029 . 1 . . . . . 29 PHE CB . 52557 1
302 . 1 . 1 29 29 PHE CD1 C 13 132.688 0.000 . 1 . . . . . 29 PHE CD1 . 52557 1
303 . 1 . 1 29 29 PHE CD2 C 13 132.688 0.000 . 1 . . . . . 29 PHE CD2 . 52557 1
304 . 1 . 1 29 29 PHE CE1 C 13 131.316 0.000 . 1 . . . . . 29 PHE CE1 . 52557 1
305 . 1 . 1 29 29 PHE CE2 C 13 131.316 0.000 . 1 . . . . . 29 PHE CE2 . 52557 1
306 . 1 . 1 29 29 PHE N N 15 135.751 0.016 . 1 . . . . . 29 PHE N . 52557 1
307 . 1 . 1 30 30 SER H H 1 8.675 0.004 . 1 . . . . . 30 SER H . 52557 1
308 . 1 . 1 30 30 SER HA H 1 3.804 0.003 . 1 . . . . . 30 SER HA . 52557 1
309 . 1 . 1 30 30 SER HB2 H 1 4.005 0.012 . 2 . . . . . 30 SER HB2 . 52557 1
310 . 1 . 1 30 30 SER HB3 H 1 3.859 0.005 . 2 . . . . . 30 SER HB3 . 52557 1
311 . 1 . 1 30 30 SER C C 13 176.880 0.000 . 1 . . . . . 30 SER C . 52557 1
312 . 1 . 1 30 30 SER CA C 13 62.018 1.074 . 1 . . . . . 30 SER CA . 52557 1
313 . 1 . 1 30 30 SER CB C 13 61.653 1.055 . 1 . . . . . 30 SER CB . 52557 1
314 . 1 . 1 30 30 SER N N 15 110.452 0.041 . 1 . . . . . 30 SER N . 52557 1
315 . 1 . 1 31 31 ASP H H 1 7.024 0.005 . 1 . . . . . 31 ASP H . 52557 1
316 . 1 . 1 31 31 ASP HA H 1 5.003 0.002 . 1 . . . . . 31 ASP HA . 52557 1
317 . 1 . 1 31 31 ASP HB2 H 1 2.462 0.005 . 2 . . . . . 31 ASP HB2 . 52557 1
318 . 1 . 1 31 31 ASP HB3 H 1 2.886 0.002 . 2 . . . . . 31 ASP HB3 . 52557 1
319 . 1 . 1 31 31 ASP C C 13 172.139 0.000 . 1 . . . . . 31 ASP C . 52557 1
320 . 1 . 1 31 31 ASP CA C 13 53.575 0.032 . 1 . . . . . 31 ASP CA . 52557 1
321 . 1 . 1 31 31 ASP CB C 13 42.724 0.043 . 1 . . . . . 31 ASP CB . 52557 1
322 . 1 . 1 31 31 ASP N N 15 117.101 0.019 . 1 . . . . . 31 ASP N . 52557 1
323 . 1 . 1 32 32 THR H H 1 7.512 0.003 . 1 . . . . . 32 THR H . 52557 1
324 . 1 . 1 32 32 THR HA H 1 4.742 0.007 . 1 . . . . . 32 THR HA . 52557 1
325 . 1 . 1 32 32 THR HB H 1 3.974 0.003 . 1 . . . . . 32 THR HB . 52557 1
326 . 1 . 1 32 32 THR HG21 H 1 1.441 0.004 . 1 . . . . . 32 THR HG21 . 52557 1
327 . 1 . 1 32 32 THR HG22 H 1 1.441 0.004 . 1 . . . . . 32 THR HG22 . 52557 1
328 . 1 . 1 32 32 THR HG23 H 1 1.441 0.004 . 1 . . . . . 32 THR HG23 . 52557 1
329 . 1 . 1 32 32 THR C C 13 176.651 0.000 . 1 . . . . . 32 THR C . 52557 1
330 . 1 . 1 32 32 THR CA C 13 62.745 0.044 . 1 . . . . . 32 THR CA . 52557 1
331 . 1 . 1 32 32 THR CB C 13 71.339 0.059 . 1 . . . . . 32 THR CB . 52557 1
332 . 1 . 1 32 32 THR CG2 C 13 21.765 0.019 . 1 . . . . . 32 THR CG2 . 52557 1
333 . 1 . 1 32 32 THR N N 15 115.026 0.023 . 1 . . . . . 32 THR N . 52557 1
334 . 1 . 1 33 33 TRP H H 1 9.237 0.490 . 1 . . . . . 33 TRP H . 52557 1
335 . 1 . 1 33 33 TRP HA H 1 4.203 0.004 . 1 . . . . . 33 TRP HA . 52557 1
336 . 1 . 1 33 33 TRP HB2 H 1 2.829 0.000 . 2 . . . . . 33 TRP HB2 . 52557 1
337 . 1 . 1 33 33 TRP HB3 H 1 3.013 0.013 . 2 . . . . . 33 TRP HB3 . 52557 1
338 . 1 . 1 33 33 TRP HD1 H 1 7.489 0.007 . 1 . . . . . 33 TRP HD1 . 52557 1
339 . 1 . 1 33 33 TRP HE1 H 1 10.508 0.001 . 1 . . . . . 33 TRP HE1 . 52557 1
340 . 1 . 1 33 33 TRP HE3 H 1 7.360 0.010 . 1 . . . . . 33 TRP HE3 . 52557 1
341 . 1 . 1 33 33 TRP HZ2 H 1 7.629 0.009 . 1 . . . . . 33 TRP HZ2 . 52557 1
342 . 1 . 1 33 33 TRP HZ3 H 1 6.914 0.002 . 1 . . . . . 33 TRP HZ3 . 52557 1
343 . 1 . 1 33 33 TRP HH2 H 1 7.236 0.023 . 1 . . . . . 33 TRP HH2 . 52557 1
344 . 1 . 1 33 33 TRP C C 13 175.119 0.000 . 1 . . . . . 33 TRP C . 52557 1
345 . 1 . 1 33 33 TRP CA C 13 60.084 0.097 . 1 . . . . . 33 TRP CA . 52557 1
346 . 1 . 1 33 33 TRP CB C 13 28.925 0.072 . 1 . . . . . 33 TRP CB . 52557 1
347 . 1 . 1 33 33 TRP CD1 C 13 126.883 0.000 . 1 . . . . . 33 TRP CD1 . 52557 1
348 . 1 . 1 33 33 TRP CE3 C 13 120.642 0.000 . 1 . . . . . 33 TRP CE3 . 52557 1
349 . 1 . 1 33 33 TRP CZ2 C 13 115.565 0.000 . 1 . . . . . 33 TRP CZ2 . 52557 1
350 . 1 . 1 33 33 TRP CZ3 C 13 122.319 0.000 . 1 . . . . . 33 TRP CZ3 . 52557 1
351 . 1 . 1 33 33 TRP CH2 C 13 124.837 0.000 . 1 . . . . . 33 TRP CH2 . 52557 1
352 . 1 . 1 33 33 TRP N N 15 131.372 0.056 . 1 . . . . . 33 TRP N . 52557 1
353 . 1 . 1 33 33 TRP NE1 N 15 131.372 0.027 . 1 . . . . . 33 TRP NE1 . 52557 1
354 . 1 . 1 34 34 MET H H 1 8.566 0.005 . 1 . . . . . 34 MET H . 52557 1
355 . 1 . 1 34 34 MET HA H 1 5.698 0.004 . 1 . . . . . 34 MET HA . 52557 1
356 . 1 . 1 34 34 MET HB2 H 1 1.930 0.012 . 2 . . . . . 34 MET HB2 . 52557 1
357 . 1 . 1 34 34 MET HB3 H 1 1.566 0.005 . 2 . . . . . 34 MET HB3 . 52557 1
358 . 1 . 1 34 34 MET HG2 H 1 2.395 0.012 . 1 . . . . . 34 MET HG2 . 52557 1
359 . 1 . 1 34 34 MET HG3 H 1 2.397 0.012 . 1 . . . . . 34 MET HG3 . 52557 1
360 . 1 . 1 34 34 MET HE1 H 1 1.933 0.009 . 1 . . . . . 34 MET HE1 . 52557 1
361 . 1 . 1 34 34 MET HE2 H 1 1.933 0.009 . 1 . . . . . 34 MET HE2 . 52557 1
362 . 1 . 1 34 34 MET HE3 H 1 1.933 0.009 . 1 . . . . . 34 MET HE3 . 52557 1
363 . 1 . 1 34 34 MET C C 13 175.080 0.000 . 1 . . . . . 34 MET C . 52557 1
364 . 1 . 1 34 34 MET CA C 13 52.138 0.025 . 1 . . . . . 34 MET CA . 52557 1
365 . 1 . 1 34 34 MET CB C 13 34.586 0.042 . 1 . . . . . 34 MET CB . 52557 1
366 . 1 . 1 34 34 MET CG C 13 30.787 0.033 . 1 . . . . . 34 MET CG . 52557 1
367 . 1 . 1 34 34 MET CE C 13 15.268 0.000 . 1 . . . . . 34 MET CE . 52557 1
368 . 1 . 1 34 34 MET N N 15 116.853 0.045 . 1 . . . . . 34 MET N . 52557 1
369 . 1 . 1 35 35 ASN H H 1 8.349 0.005 . 1 . . . . . 35 ASN H . 52557 1
370 . 1 . 1 35 35 ASN HA H 1 6.107 0.003 . 1 . . . . . 35 ASN HA . 52557 1
371 . 1 . 1 35 35 ASN HB2 H 1 2.426 0.004 . 2 . . . . . 35 ASN HB2 . 52557 1
372 . 1 . 1 35 35 ASN HB3 H 1 2.853 0.008 . 2 . . . . . 35 ASN HB3 . 52557 1
373 . 1 . 1 35 35 ASN HD21 H 1 7.712 0.006 . 1 . . . . . 35 ASN HD21 . 52557 1
374 . 1 . 1 35 35 ASN HD22 H 1 6.269 0.007 . 1 . . . . . 35 ASN HD22 . 52557 1
375 . 1 . 1 35 35 ASN C C 13 175.829 0.000 . 1 . . . . . 35 ASN C . 52557 1
376 . 1 . 1 35 35 ASN CA C 13 52.755 0.078 . 1 . . . . . 35 ASN CA . 52557 1
377 . 1 . 1 35 35 ASN CB C 13 45.790 0.037 . 1 . . . . . 35 ASN CB . 52557 1
378 . 1 . 1 35 35 ASN N N 15 114.074 0.031 . 1 . . . . . 35 ASN N . 52557 1
379 . 1 . 1 35 35 ASN ND2 N 15 114.178 0.002 . 1 . . . . . 35 ASN ND2 . 52557 1
380 . 1 . 1 36 36 TRP H H 1 8.793 0.006 . 1 . . . . . 36 TRP H . 52557 1
381 . 1 . 1 36 36 TRP HA H 1 5.675 0.002 . 1 . . . . . 36 TRP HA . 52557 1
382 . 1 . 1 36 36 TRP HB2 H 1 3.179 0.002 . 2 . . . . . 36 TRP HB2 . 52557 1
383 . 1 . 1 36 36 TRP HB3 H 1 2.724 0.007 . 2 . . . . . 36 TRP HB3 . 52557 1
384 . 1 . 1 36 36 TRP HD1 H 1 6.969 0.001 . 1 . . . . . 36 TRP HD1 . 52557 1
385 . 1 . 1 36 36 TRP HE1 H 1 7.711 0.001 . 1 . . . . . 36 TRP HE1 . 52557 1
386 . 1 . 1 36 36 TRP HE3 H 1 7.663 0.006 . 1 . . . . . 36 TRP HE3 . 52557 1
387 . 1 . 1 36 36 TRP HZ2 H 1 6.920 0.010 . 1 . . . . . 36 TRP HZ2 . 52557 1
388 . 1 . 1 36 36 TRP HZ3 H 1 6.806 0.004 . 1 . . . . . 36 TRP HZ3 . 52557 1
389 . 1 . 1 36 36 TRP HH2 H 1 7.025 0.001 . 1 . . . . . 36 TRP HH2 . 52557 1
390 . 1 . 1 36 36 TRP C C 13 174.317 0.000 . 1 . . . . . 36 TRP C . 52557 1
391 . 1 . 1 36 36 TRP CA C 13 56.808 0.073 . 1 . . . . . 36 TRP CA . 52557 1
392 . 1 . 1 36 36 TRP CB C 13 32.752 0.044 . 1 . . . . . 36 TRP CB . 52557 1
393 . 1 . 1 36 36 TRP CD1 C 13 125.499 0.000 . 1 . . . . . 36 TRP CD1 . 52557 1
394 . 1 . 1 36 36 TRP CE3 C 13 120.902 0.000 . 1 . . . . . 36 TRP CE3 . 52557 1
395 . 1 . 1 36 36 TRP CZ2 C 13 113.857 0.000 . 1 . . . . . 36 TRP CZ2 . 52557 1
396 . 1 . 1 36 36 TRP CZ3 C 13 122.163 0.000 . 1 . . . . . 36 TRP CZ3 . 52557 1
397 . 1 . 1 36 36 TRP CH2 C 13 125.037 0.000 . 1 . . . . . 36 TRP CH2 . 52557 1
398 . 1 . 1 36 36 TRP N N 15 116.186 0.039 . 1 . . . . . 36 TRP N . 52557 1
399 . 1 . 1 36 36 TRP NE1 N 15 122.435 0.019 . 1 . . . . . 36 TRP NE1 . 52557 1
400 . 1 . 1 37 37 VAL H H 1 9.870 0.004 . 1 . . . . . 37 VAL H . 52557 1
401 . 1 . 1 37 37 VAL HA H 1 5.020 0.002 . 1 . . . . . 37 VAL HA . 52557 1
402 . 1 . 1 37 37 VAL HB H 1 2.107 0.003 . 1 . . . . . 37 VAL HB . 52557 1
403 . 1 . 1 37 37 VAL HG11 H 1 0.830 0.004 . 2 . . . . . 37 VAL HG11 . 52557 1
404 . 1 . 1 37 37 VAL HG12 H 1 0.830 0.004 . 2 . . . . . 37 VAL HG12 . 52557 1
405 . 1 . 1 37 37 VAL HG13 H 1 0.830 0.004 . 2 . . . . . 37 VAL HG13 . 52557 1
406 . 1 . 1 37 37 VAL HG21 H 1 0.956 0.015 . 2 . . . . . 37 VAL HG21 . 52557 1
407 . 1 . 1 37 37 VAL HG22 H 1 0.956 0.015 . 2 . . . . . 37 VAL HG22 . 52557 1
408 . 1 . 1 37 37 VAL HG23 H 1 0.956 0.015 . 2 . . . . . 37 VAL HG23 . 52557 1
409 . 1 . 1 37 37 VAL C C 13 175.401 0.000 . 1 . . . . . 37 VAL C . 52557 1
410 . 1 . 1 37 37 VAL CA C 13 59.102 0.058 . 1 . . . . . 37 VAL CA . 52557 1
411 . 1 . 1 37 37 VAL CB C 13 35.339 0.019 . 1 . . . . . 37 VAL CB . 52557 1
412 . 1 . 1 37 37 VAL CG1 C 13 21.079 0.000 . 2 . . . . . 37 VAL CG1 . 52557 1
413 . 1 . 1 37 37 VAL CG2 C 13 21.987 0.000 . 2 . . . . . 37 VAL CG2 . 52557 1
414 . 1 . 1 37 37 VAL N N 15 117.819 0.037 . 1 . . . . . 37 VAL N . 52557 1
415 . 1 . 1 38 38 ARG H H 1 9.682 0.003 . 1 . . . . . 38 ARG H . 52557 1
416 . 1 . 1 38 38 ARG HA H 1 5.780 0.005 . 1 . . . . . 38 ARG HA . 52557 1
417 . 1 . 1 38 38 ARG HB2 H 1 0.821 0.018 . 2 . . . . . 38 ARG HB2 . 52557 1
418 . 1 . 1 38 38 ARG HB3 H 1 0.827 0.014 . 2 . . . . . 38 ARG HB3 . 52557 1
419 . 1 . 1 38 38 ARG C C 13 172.880 0.000 . 1 . . . . . 38 ARG C . 52557 1
420 . 1 . 1 38 38 ARG CA C 13 53.937 0.061 . 1 . . . . . 38 ARG CA . 52557 1
421 . 1 . 1 38 38 ARG CB C 13 33.291 0.054 . 1 . . . . . 38 ARG CB . 52557 1
422 . 1 . 1 38 38 ARG N N 15 119.109 0.020 . 1 . . . . . 38 ARG N . 52557 1
423 . 1 . 1 39 39 GLN H H 1 9.214 0.005 . 1 . . . . . 39 GLN H . 52557 1
424 . 1 . 1 39 39 GLN HA H 1 4.888 0.006 . 1 . . . . . 39 GLN HA . 52557 1
425 . 1 . 1 39 39 GLN HB2 H 1 1.798 0.007 . 2 . . . . . 39 GLN HB2 . 52557 1
426 . 1 . 1 39 39 GLN HB3 H 1 2.187 0.007 . 2 . . . . . 39 GLN HB3 . 52557 1
427 . 1 . 1 39 39 GLN C C 13 173.479 0.000 . 1 . . . . . 39 GLN C . 52557 1
428 . 1 . 1 39 39 GLN CA C 13 54.986 0.106 . 1 . . . . . 39 GLN CA . 52557 1
429 . 1 . 1 39 39 GLN CB C 13 32.866 0.034 . 1 . . . . . 39 GLN CB . 52557 1
430 . 1 . 1 39 39 GLN N N 15 121.228 0.016 . 1 . . . . . 39 GLN N . 52557 1
431 . 1 . 1 40 40 ALA H H 1 9.608 0.008 . 1 . . . . . 40 ALA H . 52557 1
432 . 1 . 1 40 40 ALA HA H 1 4.794 0.011 . 1 . . . . . 40 ALA HA . 52557 1
433 . 1 . 1 40 40 ALA HB1 H 1 1.448 0.009 . 1 . . . . . 40 ALA HB1 . 52557 1
434 . 1 . 1 40 40 ALA HB2 H 1 1.448 0.009 . 1 . . . . . 40 ALA HB2 . 52557 1
435 . 1 . 1 40 40 ALA HB3 H 1 1.448 0.009 . 1 . . . . . 40 ALA HB3 . 52557 1
436 . 1 . 1 40 40 ALA C C 13 174.845 0.000 . 1 . . . . . 40 ALA C . 52557 1
437 . 1 . 1 40 40 ALA CA C 13 50.241 0.001 . 1 . . . . . 40 ALA CA . 52557 1
438 . 1 . 1 40 40 ALA CB C 13 18.074 0.026 . 1 . . . . . 40 ALA CB . 52557 1
439 . 1 . 1 40 40 ALA N N 15 136.693 0.018 . 1 . . . . . 40 ALA N . 52557 1
440 . 1 . 1 41 41 PRO HA H 1 4.326 0.004 . 1 . . . . . 41 PRO HA . 52557 1
441 . 1 . 1 41 41 PRO HB2 H 1 2.271 0.013 . 2 . . . . . 41 PRO HB2 . 52557 1
442 . 1 . 1 41 41 PRO HB3 H 1 1.907 0.009 . 2 . . . . . 41 PRO HB3 . 52557 1
443 . 1 . 1 41 41 PRO HG2 H 1 2.133 0.006 . 1 . . . . . 41 PRO HG2 . 52557 1
444 . 1 . 1 41 41 PRO HG3 H 1 2.133 0.006 . 1 . . . . . 41 PRO HG3 . 52557 1
445 . 1 . 1 41 41 PRO HD2 H 1 3.811 0.013 . 2 . . . . . 41 PRO HD2 . 52557 1
446 . 1 . 1 41 41 PRO HD3 H 1 3.634 0.014 . 2 . . . . . 41 PRO HD3 . 52557 1
447 . 1 . 1 41 41 PRO CA C 13 64.154 0.055 . 1 . . . . . 41 PRO CA . 52557 1
448 . 1 . 1 41 41 PRO CB C 13 31.453 0.038 . 1 . . . . . 41 PRO CB . 52557 1
449 . 1 . 1 41 41 PRO CG C 13 27.936 0.073 . 1 . . . . . 41 PRO CG . 52557 1
450 . 1 . 1 41 41 PRO CD C 13 50.403 0.062 . 1 . . . . . 41 PRO CD . 52557 1
451 . 1 . 1 42 42 GLY H H 1 8.773 0.008 . 1 . . . . . 42 GLY H . 52557 1
452 . 1 . 1 42 42 GLY HA2 H 1 3.762 0.004 . 2 . . . . . 42 GLY HA2 . 52557 1
453 . 1 . 1 42 42 GLY HA3 H 1 4.120 0.017 . 2 . . . . . 42 GLY HA3 . 52557 1
454 . 1 . 1 42 42 GLY C C 13 178.408 0.000 . 1 . . . . . 42 GLY C . 52557 1
455 . 1 . 1 42 42 GLY CA C 13 45.768 0.060 . 1 . . . . . 42 GLY CA . 52557 1
456 . 1 . 1 42 42 GLY N N 15 112.951 0.022 . 1 . . . . . 42 GLY N . 52557 1
457 . 1 . 1 43 43 LYS H H 1 8.054 0.005 . 1 . . . . . 43 LYS H . 52557 1
458 . 1 . 1 43 43 LYS HA H 1 4.816 0.005 . 1 . . . . . 43 LYS HA . 52557 1
459 . 1 . 1 43 43 LYS HB2 H 1 2.048 0.011 . 1 . . . . . 43 LYS HB2 . 52557 1
460 . 1 . 1 43 43 LYS HB3 H 1 2.048 0.011 . 1 . . . . . 43 LYS HB3 . 52557 1
461 . 1 . 1 43 43 LYS HG2 H 1 1.296 0.010 . 2 . . . . . 43 LYS HG2 . 52557 1
462 . 1 . 1 43 43 LYS HG3 H 1 1.437 0.009 . 2 . . . . . 43 LYS HG3 . 52557 1
463 . 1 . 1 43 43 LYS HD2 H 1 1.615 0.004 . 2 . . . . . 43 LYS HD2 . 52557 1
464 . 1 . 1 43 43 LYS HD3 H 1 1.712 0.010 . 2 . . . . . 43 LYS HD3 . 52557 1
465 . 1 . 1 43 43 LYS HE2 H 1 2.984 0.009 . 1 . . . . . 43 LYS HE2 . 52557 1
466 . 1 . 1 43 43 LYS HE3 H 1 2.984 0.009 . 1 . . . . . 43 LYS HE3 . 52557 1
467 . 1 . 1 43 43 LYS C C 13 174.149 0.000 . 1 . . . . . 43 LYS C . 52557 1
468 . 1 . 1 43 43 LYS CA C 13 54.032 0.002 . 1 . . . . . 43 LYS CA . 52557 1
469 . 1 . 1 43 43 LYS CB C 13 35.223 0.007 . 1 . . . . . 43 LYS CB . 52557 1
470 . 1 . 1 43 43 LYS CG C 13 24.800 0.000 . 1 . . . . . 43 LYS CG . 52557 1
471 . 1 . 1 43 43 LYS CD C 13 28.639 0.115 . 1 . . . . . 43 LYS CD . 52557 1
472 . 1 . 1 43 43 LYS CE C 13 42.563 0.000 . 1 . . . . . 43 LYS CE . 52557 1
473 . 1 . 1 43 43 LYS N N 15 120.059 0.018 . 1 . . . . . 43 LYS N . 52557 1
474 . 1 . 1 44 44 GLY H H 1 8.290 0.007 . 1 . . . . . 44 GLY H . 52557 1
475 . 1 . 1 44 44 GLY HA2 H 1 3.715 0.001 . 2 . . . . . 44 GLY HA2 . 52557 1
476 . 1 . 1 44 44 GLY HA3 H 1 4.239 0.004 . 2 . . . . . 44 GLY HA3 . 52557 1
477 . 1 . 1 44 44 GLY C C 13 176.556 0.000 . 1 . . . . . 44 GLY C . 52557 1
478 . 1 . 1 44 44 GLY CA C 13 44.251 0.059 . 1 . . . . . 44 GLY CA . 52557 1
479 . 1 . 1 44 44 GLY N N 15 106.079 0.020 . 1 . . . . . 44 GLY N . 52557 1
480 . 1 . 1 45 45 LEU H H 1 8.100 0.006 . 1 . . . . . 45 LEU H . 52557 1
481 . 1 . 1 45 45 LEU HA H 1 4.421 0.003 . 1 . . . . . 45 LEU HA . 52557 1
482 . 1 . 1 45 45 LEU HB2 H 1 1.493 0.005 . 2 . . . . . 45 LEU HB2 . 52557 1
483 . 1 . 1 45 45 LEU HB3 H 1 1.270 0.004 . 2 . . . . . 45 LEU HB3 . 52557 1
484 . 1 . 1 45 45 LEU HG H 1 1.405 0.013 . 1 . . . . . 45 LEU HG . 52557 1
485 . 1 . 1 45 45 LEU HD11 H 1 0.563 0.008 . 2 . . . . . 45 LEU HD11 . 52557 1
486 . 1 . 1 45 45 LEU HD12 H 1 0.563 0.008 . 2 . . . . . 45 LEU HD12 . 52557 1
487 . 1 . 1 45 45 LEU HD13 H 1 0.563 0.008 . 2 . . . . . 45 LEU HD13 . 52557 1
488 . 1 . 1 45 45 LEU HD21 H 1 0.635 0.016 . 2 . . . . . 45 LEU HD21 . 52557 1
489 . 1 . 1 45 45 LEU HD22 H 1 0.635 0.016 . 2 . . . . . 45 LEU HD22 . 52557 1
490 . 1 . 1 45 45 LEU HD23 H 1 0.635 0.016 . 2 . . . . . 45 LEU HD23 . 52557 1
491 . 1 . 1 45 45 LEU C C 13 172.742 0.000 . 1 . . . . . 45 LEU C . 52557 1
492 . 1 . 1 45 45 LEU CA C 13 55.534 0.050 . 1 . . . . . 45 LEU CA . 52557 1
493 . 1 . 1 45 45 LEU CB C 13 43.586 0.047 . 1 . . . . . 45 LEU CB . 52557 1
494 . 1 . 1 45 45 LEU CG C 13 27.404 0.000 . 1 . . . . . 45 LEU CG . 52557 1
495 . 1 . 1 45 45 LEU CD1 C 13 25.264 0.000 . 1 . . . . . 45 LEU CD1 . 52557 1
496 . 1 . 1 45 45 LEU N N 15 120.334 0.015 . 1 . . . . . 45 LEU N . 52557 1
497 . 1 . 1 46 46 TYR H H 1 9.277 0.005 . 1 . . . . . 46 TYR H . 52557 1
498 . 1 . 1 46 46 TYR HA H 1 4.782 0.002 . 1 . . . . . 46 TYR HA . 52557 1
499 . 1 . 1 46 46 TYR HB2 H 1 2.761 0.004 . 2 . . . . . 46 TYR HB2 . 52557 1
500 . 1 . 1 46 46 TYR HB3 H 1 3.009 0.002 . 2 . . . . . 46 TYR HB3 . 52557 1
501 . 1 . 1 46 46 TYR HD1 H 1 7.133 0.011 . 1 . . . . . 46 TYR HD1 . 52557 1
502 . 1 . 1 46 46 TYR HD2 H 1 7.133 0.011 . 1 . . . . . 46 TYR HD2 . 52557 1
503 . 1 . 1 46 46 TYR HE1 H 1 6.768 0.000 . 1 . . . . . 46 TYR HE1 . 52557 1
504 . 1 . 1 46 46 TYR HE2 H 1 6.768 0.000 . 1 . . . . . 46 TYR HE2 . 52557 1
505 . 1 . 1 46 46 TYR C C 13 176.492 0.000 . 1 . . . . . 46 TYR C . 52557 1
506 . 1 . 1 46 46 TYR CA C 13 56.921 0.076 . 1 . . . . . 46 TYR CA . 52557 1
507 . 1 . 1 46 46 TYR CB C 13 41.781 0.022 . 1 . . . . . 46 TYR CB . 52557 1
508 . 1 . 1 46 46 TYR CD1 C 13 133.725 0.000 . 1 . . . . . 46 TYR CD1 . 52557 1
509 . 1 . 1 46 46 TYR CD2 C 13 133.725 0.000 . 1 . . . . . 46 TYR CD2 . 52557 1
510 . 1 . 1 46 46 TYR CE1 C 13 118.073 0.000 . 1 . . . . . 46 TYR CE1 . 52557 1
511 . 1 . 1 46 46 TYR CE2 C 13 118.073 0.000 . 1 . . . . . 46 TYR CE2 . 52557 1
512 . 1 . 1 46 46 TYR N N 15 123.580 0.012 . 1 . . . . . 46 TYR N . 52557 1
513 . 1 . 1 47 47 TRP H H 1 9.007 0.004 . 1 . . . . . 47 TRP H . 52557 1
514 . 1 . 1 47 47 TRP HA H 1 4.278 0.005 . 1 . . . . . 47 TRP HA . 52557 1
515 . 1 . 1 47 47 TRP HB2 H 1 2.908 0.002 . 2 . . . . . 47 TRP HB2 . 52557 1
516 . 1 . 1 47 47 TRP HB3 H 1 3.292 0.006 . 2 . . . . . 47 TRP HB3 . 52557 1
517 . 1 . 1 47 47 TRP HD1 H 1 6.658 0.011 . 1 . . . . . 47 TRP HD1 . 52557 1
518 . 1 . 1 47 47 TRP HE1 H 1 9.704 0.013 . 1 . . . . . 47 TRP HE1 . 52557 1
519 . 1 . 1 47 47 TRP HZ2 H 1 7.214 0.010 . 1 . . . . . 47 TRP HZ2 . 52557 1
520 . 1 . 1 47 47 TRP HZ3 H 1 6.190 0.000 . 1 . . . . . 47 TRP HZ3 . 52557 1
521 . 1 . 1 47 47 TRP HH2 H 1 6.804 0.002 . 1 . . . . . 47 TRP HH2 . 52557 1
522 . 1 . 1 47 47 TRP C C 13 174.996 0.000 . 1 . . . . . 47 TRP C . 52557 1
523 . 1 . 1 47 47 TRP CA C 13 59.909 0.040 . 1 . . . . . 47 TRP CA . 52557 1
524 . 1 . 1 47 47 TRP CB C 13 28.351 0.024 . 1 . . . . . 47 TRP CB . 52557 1
525 . 1 . 1 47 47 TRP CD1 C 13 124.631 0.000 . 1 . . . . . 47 TRP CD1 . 52557 1
526 . 1 . 1 47 47 TRP CZ2 C 13 114.021 0.000 . 1 . . . . . 47 TRP CZ2 . 52557 1
527 . 1 . 1 47 47 TRP CZ3 C 13 121.540 0.000 . 1 . . . . . 47 TRP CZ3 . 52557 1
528 . 1 . 1 47 47 TRP CH2 C 13 123.979 0.000 . 1 . . . . . 47 TRP CH2 . 52557 1
529 . 1 . 1 47 47 TRP N N 15 128.159 0.014 . 1 . . . . . 47 TRP N . 52557 1
530 . 1 . 1 47 47 TRP NE1 N 15 129.758 0.013 . 1 . . . . . 47 TRP NE1 . 52557 1
531 . 1 . 1 48 48 ILE H H 1 7.542 0.004 . 1 . . . . . 48 ILE H . 52557 1
532 . 1 . 1 48 48 ILE HA H 1 4.320 0.023 . 1 . . . . . 48 ILE HA . 52557 1
533 . 1 . 1 48 48 ILE HB H 1 1.842 0.004 . 1 . . . . . 48 ILE HB . 52557 1
534 . 1 . 1 48 48 ILE HG12 H 1 1.180 0.002 . 2 . . . . . 48 ILE HG12 . 52557 1
535 . 1 . 1 48 48 ILE HG13 H 1 1.346 0.002 . 2 . . . . . 48 ILE HG13 . 52557 1
536 . 1 . 1 48 48 ILE HG21 H 1 0.935 0.020 . 1 . . . . . 48 ILE HG21 . 52557 1
537 . 1 . 1 48 48 ILE HG22 H 1 0.935 0.020 . 1 . . . . . 48 ILE HG22 . 52557 1
538 . 1 . 1 48 48 ILE HG23 H 1 0.935 0.020 . 1 . . . . . 48 ILE HG23 . 52557 1
539 . 1 . 1 48 48 ILE HD11 H 1 0.959 0.008 . 1 . . . . . 48 ILE HD11 . 52557 1
540 . 1 . 1 48 48 ILE HD12 H 1 0.959 0.008 . 1 . . . . . 48 ILE HD12 . 52557 1
541 . 1 . 1 48 48 ILE HD13 H 1 0.959 0.008 . 1 . . . . . 48 ILE HD13 . 52557 1
542 . 1 . 1 48 48 ILE C C 13 174.583 0.000 . 1 . . . . . 48 ILE C . 52557 1
543 . 1 . 1 48 48 ILE CA C 13 60.216 0.141 . 1 . . . . . 48 ILE CA . 52557 1
544 . 1 . 1 48 48 ILE CB C 13 40.166 0.065 . 1 . . . . . 48 ILE CB . 52557 1
545 . 1 . 1 48 48 ILE CG1 C 13 26.555 0.001 . 1 . . . . . 48 ILE CG1 . 52557 1
546 . 1 . 1 48 48 ILE CG2 C 13 18.499 0.000 . 1 . . . . . 48 ILE CG2 . 52557 1
547 . 1 . 1 48 48 ILE CD1 C 13 13.315 0.000 . 1 . . . . . 48 ILE CD1 . 52557 1
548 . 1 . 1 48 48 ILE N N 15 118.902 0.022 . 1 . . . . . 48 ILE N . 52557 1
549 . 1 . 1 49 49 SER H H 1 6.913 0.003 . 1 . . . . . 49 SER H . 52557 1
550 . 1 . 1 49 49 SER HA H 1 4.805 0.005 . 1 . . . . . 49 SER HA . 52557 1
551 . 1 . 1 49 49 SER HB2 H 1 3.559 0.002 . 2 . . . . . 49 SER HB2 . 52557 1
552 . 1 . 1 49 49 SER HB3 H 1 3.797 0.003 . 2 . . . . . 49 SER HB3 . 52557 1
553 . 1 . 1 49 49 SER C C 13 174.267 0.000 . 1 . . . . . 49 SER C . 52557 1
554 . 1 . 1 49 49 SER CA C 13 57.428 0.019 . 1 . . . . . 49 SER CA . 52557 1
555 . 1 . 1 49 49 SER CB C 13 65.855 0.015 . 1 . . . . . 49 SER CB . 52557 1
556 . 1 . 1 49 49 SER N N 15 110.464 0.028 . 1 . . . . . 49 SER N . 52557 1
557 . 1 . 1 50 50 ALA H H 1 8.934 0.004 . 1 . . . . . 50 ALA H . 52557 1
558 . 1 . 1 50 50 ALA HA H 1 5.789 0.003 . 1 . . . . . 50 ALA HA . 52557 1
559 . 1 . 1 50 50 ALA HB1 H 1 1.959 0.001 . 1 . . . . . 50 ALA HB1 . 52557 1
560 . 1 . 1 50 50 ALA HB2 H 1 1.959 0.001 . 1 . . . . . 50 ALA HB2 . 52557 1
561 . 1 . 1 50 50 ALA HB3 H 1 1.959 0.001 . 1 . . . . . 50 ALA HB3 . 52557 1
562 . 1 . 1 50 50 ALA C C 13 172.247 0.000 . 1 . . . . . 50 ALA C . 52557 1
563 . 1 . 1 50 50 ALA CA C 13 51.401 0.094 . 1 . . . . . 50 ALA CA . 52557 1
564 . 1 . 1 50 50 ALA CB C 13 26.108 0.019 . 1 . . . . . 50 ALA CB . 52557 1
565 . 1 . 1 50 50 ALA N N 15 125.398 0.016 . 1 . . . . . 50 ALA N . 52557 1
566 . 1 . 1 51 51 ILE H H 1 9.237 0.003 . 1 . . . . . 51 ILE H . 52557 1
567 . 1 . 1 51 51 ILE HA H 1 5.045 0.003 . 1 . . . . . 51 ILE HA . 52557 1
568 . 1 . 1 51 51 ILE HB H 1 1.736 0.009 . 1 . . . . . 51 ILE HB . 52557 1
569 . 1 . 1 51 51 ILE HG12 H 1 1.735 0.008 . 2 . . . . . 51 ILE HG12 . 52557 1
570 . 1 . 1 51 51 ILE HG13 H 1 1.498 0.001 . 2 . . . . . 51 ILE HG13 . 52557 1
571 . 1 . 1 51 51 ILE HG21 H 1 0.922 0.002 . 1 . . . . . 51 ILE HG21 . 52557 1
572 . 1 . 1 51 51 ILE HG22 H 1 0.922 0.002 . 1 . . . . . 51 ILE HG22 . 52557 1
573 . 1 . 1 51 51 ILE HG23 H 1 0.922 0.002 . 1 . . . . . 51 ILE HG23 . 52557 1
574 . 1 . 1 51 51 ILE C C 13 175.105 0.000 . 1 . . . . . 51 ILE C . 52557 1
575 . 1 . 1 51 51 ILE CA C 13 59.082 0.048 . 1 . . . . . 51 ILE CA . 52557 1
576 . 1 . 1 51 51 ILE CB C 13 41.824 0.063 . 1 . . . . . 51 ILE CB . 52557 1
577 . 1 . 1 51 51 ILE CG1 C 13 31.982 3.284 . 1 . . . . . 51 ILE CG1 . 52557 1
578 . 1 . 1 51 51 ILE CG2 C 13 14.780 0.000 . 1 . . . . . 51 ILE CG2 . 52557 1
579 . 1 . 1 51 51 ILE N N 15 116.899 0.031 . 1 . . . . . 51 ILE N . 52557 1
580 . 1 . 1 52 52 ASN H H 1 8.015 0.003 . 1 . . . . . 52 ASN H . 52557 1
581 . 1 . 1 52 52 ASN HA H 1 2.598 0.000 . 1 . . . . . 52 ASN HA . 52557 1
582 . 1 . 1 52 52 ASN HB2 H 1 1.488 0.000 . 2 . . . . . 52 ASN HB2 . 52557 1
583 . 1 . 1 52 52 ASN HB3 H 1 2.110 0.001 . 2 . . . . . 52 ASN HB3 . 52557 1
584 . 1 . 1 52 52 ASN HD21 H 1 7.179 0.000 . 1 . . . . . 52 ASN HD21 . 52557 1
585 . 1 . 1 52 52 ASN HD22 H 1 7.522 0.010 . 1 . . . . . 52 ASN HD22 . 52557 1
586 . 1 . 1 52 52 ASN C C 13 171.563 0.000 . 1 . . . . . 52 ASN C . 52557 1
587 . 1 . 1 52 52 ASN CA C 13 52.188 0.012 . 1 . . . . . 52 ASN CA . 52557 1
588 . 1 . 1 52 52 ASN CB C 13 36.257 0.002 . 1 . . . . . 52 ASN CB . 52557 1
589 . 1 . 1 52 52 ASN N N 15 129.700 0.045 . 1 . . . . . 52 ASN N . 52557 1
590 . 1 . 1 52 52 ASN ND2 N 15 115.214 0.012 . 1 . . . . . 52 ASN ND2 . 52557 1
591 . 1 . 1 53 53 PRO HA H 1 3.391 0.000 . 1 . . . . . 53 PRO HA . 52557 1
592 . 1 . 1 53 53 PRO HB2 H 1 2.402 0.010 . 2 . . . . . 53 PRO HB2 . 52557 1
593 . 1 . 1 53 53 PRO HB3 H 1 1.675 0.022 . 2 . . . . . 53 PRO HB3 . 52557 1
594 . 1 . 1 53 53 PRO CA C 13 67.282 0.032 . 1 . . . . . 53 PRO CA . 52557 1
595 . 1 . 1 53 53 PRO CB C 13 31.461 0.005 . 1 . . . . . 53 PRO CB . 52557 1
596 . 1 . 1 54 54 ASP H H 1 6.840 0.003 . 1 . . . . . 54 ASP H . 52557 1
597 . 1 . 1 54 54 ASP HA H 1 4.388 0.003 . 1 . . . . . 54 ASP HA . 52557 1
598 . 1 . 1 54 54 ASP HB2 H 1 2.512 0.005 . 2 . . . . . 54 ASP HB2 . 52557 1
599 . 1 . 1 54 54 ASP HB3 H 1 2.943 0.004 . 2 . . . . . 54 ASP HB3 . 52557 1
600 . 1 . 1 54 54 ASP C C 13 175.137 0.000 . 1 . . . . . 54 ASP C . 52557 1
601 . 1 . 1 54 54 ASP CA C 13 53.607 0.001 . 1 . . . . . 54 ASP CA . 52557 1
602 . 1 . 1 54 54 ASP CB C 13 40.557 0.024 . 1 . . . . . 54 ASP CB . 52557 1
603 . 1 . 1 54 54 ASP N N 15 107.878 0.023 . 1 . . . . . 54 ASP N . 52557 1
604 . 1 . 1 55 55 GLY H H 1 7.514 0.003 . 1 . . . . . 55 GLY H . 52557 1
605 . 1 . 1 55 55 GLY HA2 H 1 3.393 0.005 . 2 . . . . . 55 GLY HA2 . 52557 1
606 . 1 . 1 55 55 GLY HA3 H 1 4.192 0.002 . 2 . . . . . 55 GLY HA3 . 52557 1
607 . 1 . 1 55 55 GLY C C 13 177.581 0.000 . 1 . . . . . 55 GLY C . 52557 1
608 . 1 . 1 55 55 GLY CA C 13 44.966 0.018 . 1 . . . . . 55 GLY CA . 52557 1
609 . 1 . 1 55 55 GLY N N 15 109.525 0.019 . 1 . . . . . 55 GLY N . 52557 1
610 . 1 . 1 56 56 GLY H H 1 8.759 0.003 . 1 . . . . . 56 GLY H . 52557 1
611 . 1 . 1 56 56 GLY HA2 H 1 3.786 0.006 . 2 . . . . . 56 GLY HA2 . 52557 1
612 . 1 . 1 56 56 GLY HA3 H 1 4.085 0.014 . 2 . . . . . 56 GLY HA3 . 52557 1
613 . 1 . 1 56 56 GLY C C 13 173.668 0.000 . 1 . . . . . 56 GLY C . 52557 1
614 . 1 . 1 56 56 GLY CA C 13 45.819 0.076 . 1 . . . . . 56 GLY CA . 52557 1
615 . 1 . 1 56 56 GLY N N 15 109.767 0.029 . 1 . . . . . 56 GLY N . 52557 1
616 . 1 . 1 57 57 ASN H H 1 8.077 0.004 . 1 . . . . . 57 ASN H . 52557 1
617 . 1 . 1 57 57 ASN HA H 1 5.188 0.001 . 1 . . . . . 57 ASN HA . 52557 1
618 . 1 . 1 57 57 ASN HB2 H 1 2.447 0.002 . 2 . . . . . 57 ASN HB2 . 52557 1
619 . 1 . 1 57 57 ASN HB3 H 1 2.581 0.011 . 2 . . . . . 57 ASN HB3 . 52557 1
620 . 1 . 1 57 57 ASN HD21 H 1 7.084 0.022 . 1 . . . . . 57 ASN HD21 . 52557 1
621 . 1 . 1 57 57 ASN HD22 H 1 7.508 0.004 . 1 . . . . . 57 ASN HD22 . 52557 1
622 . 1 . 1 57 57 ASN C C 13 173.667 0.000 . 1 . . . . . 57 ASN C . 52557 1
623 . 1 . 1 57 57 ASN CA C 13 52.479 0.015 . 1 . . . . . 57 ASN CA . 52557 1
624 . 1 . 1 57 57 ASN CB C 13 40.841 0.070 . 1 . . . . . 57 ASN CB . 52557 1
625 . 1 . 1 57 57 ASN N N 15 118.733 0.026 . 1 . . . . . 57 ASN N . 52557 1
626 . 1 . 1 57 57 ASN ND2 N 15 115.285 0.000 . 1 . . . . . 57 ASN ND2 . 52557 1
627 . 1 . 1 58 58 THR H H 1 8.130 0.003 . 1 . . . . . 58 THR H . 52557 1
628 . 1 . 1 58 58 THR HA H 1 5.190 0.002 . 1 . . . . . 58 THR HA . 52557 1
629 . 1 . 1 58 58 THR HB H 1 3.993 0.003 . 1 . . . . . 58 THR HB . 52557 1
630 . 1 . 1 58 58 THR HG21 H 1 1.197 0.006 . 1 . . . . . 58 THR HG21 . 52557 1
631 . 1 . 1 58 58 THR HG22 H 1 1.197 0.006 . 1 . . . . . 58 THR HG22 . 52557 1
632 . 1 . 1 58 58 THR HG23 H 1 1.197 0.006 . 1 . . . . . 58 THR HG23 . 52557 1
633 . 1 . 1 58 58 THR C C 13 173.210 0.000 . 1 . . . . . 58 THR C . 52557 1
634 . 1 . 1 58 58 THR CA C 13 58.667 0.136 . 1 . . . . . 58 THR CA . 52557 1
635 . 1 . 1 58 58 THR CB C 13 72.902 0.044 . 1 . . . . . 58 THR CB . 52557 1
636 . 1 . 1 58 58 THR CG2 C 13 22.960 0.000 . 1 . . . . . 58 THR CG2 . 52557 1
637 . 1 . 1 58 58 THR N N 15 112.463 0.029 . 1 . . . . . 58 THR N . 52557 1
638 . 1 . 1 59 59 ALA H H 1 8.464 0.005 . 1 . . . . . 59 ALA H . 52557 1
639 . 1 . 1 59 59 ALA HA H 1 4.942 0.003 . 1 . . . . . 59 ALA HA . 52557 1
640 . 1 . 1 59 59 ALA HB1 H 1 1.681 0.009 . 1 . . . . . 59 ALA HB1 . 52557 1
641 . 1 . 1 59 59 ALA HB2 H 1 1.681 0.009 . 1 . . . . . 59 ALA HB2 . 52557 1
642 . 1 . 1 59 59 ALA HB3 H 1 1.681 0.009 . 1 . . . . . 59 ALA HB3 . 52557 1
643 . 1 . 1 59 59 ALA C C 13 173.433 0.000 . 1 . . . . . 59 ALA C . 52557 1
644 . 1 . 1 59 59 ALA CA C 13 51.387 0.081 . 1 . . . . . 59 ALA CA . 52557 1
645 . 1 . 1 59 59 ALA CB C 13 23.086 0.023 . 1 . . . . . 59 ALA CB . 52557 1
646 . 1 . 1 59 59 ALA N N 15 122.580 0.027 . 1 . . . . . 59 ALA N . 52557 1
647 . 1 . 1 60 60 TYR H H 1 8.863 0.005 . 1 . . . . . 60 TYR H . 52557 1
648 . 1 . 1 60 60 TYR HA H 1 4.950 0.004 . 1 . . . . . 60 TYR HA . 52557 1
649 . 1 . 1 60 60 TYR HB2 H 1 2.483 0.002 . 2 . . . . . 60 TYR HB2 . 52557 1
650 . 1 . 1 60 60 TYR HB3 H 1 3.064 0.004 . 2 . . . . . 60 TYR HB3 . 52557 1
651 . 1 . 1 60 60 TYR HD1 H 1 7.085 0.013 . 1 . . . . . 60 TYR HD1 . 52557 1
652 . 1 . 1 60 60 TYR HD2 H 1 7.085 0.013 . 1 . . . . . 60 TYR HD2 . 52557 1
653 . 1 . 1 60 60 TYR HE1 H 1 6.795 0.014 . 1 . . . . . 60 TYR HE1 . 52557 1
654 . 1 . 1 60 60 TYR HE2 H 1 6.795 0.014 . 1 . . . . . 60 TYR HE2 . 52557 1
655 . 1 . 1 60 60 TYR C C 13 175.429 0.000 . 1 . . . . . 60 TYR C . 52557 1
656 . 1 . 1 60 60 TYR CA C 13 57.324 0.003 . 1 . . . . . 60 TYR CA . 52557 1
657 . 1 . 1 60 60 TYR CB C 13 43.665 0.031 . 1 . . . . . 60 TYR CB . 52557 1
658 . 1 . 1 60 60 TYR CD1 C 13 132.324 0.000 . 1 . . . . . 60 TYR CD1 . 52557 1
659 . 1 . 1 60 60 TYR CD2 C 13 132.324 0.000 . 1 . . . . . 60 TYR CD2 . 52557 1
660 . 1 . 1 60 60 TYR CE1 C 13 117.788 0.000 . 1 . . . . . 60 TYR CE1 . 52557 1
661 . 1 . 1 60 60 TYR CE2 C 13 117.788 0.000 . 1 . . . . . 60 TYR CE2 . 52557 1
662 . 1 . 1 60 60 TYR N N 15 116.785 0.031 . 1 . . . . . 60 TYR N . 52557 1
663 . 1 . 1 61 61 ALA H H 1 8.036 0.003 . 1 . . . . . 61 ALA H . 52557 1
664 . 1 . 1 61 61 ALA HA H 1 4.650 0.001 . 1 . . . . . 61 ALA HA . 52557 1
665 . 1 . 1 61 61 ALA HB1 H 1 1.699 0.000 . 1 . . . . . 61 ALA HB1 . 52557 1
666 . 1 . 1 61 61 ALA HB2 H 1 1.699 0.000 . 1 . . . . . 61 ALA HB2 . 52557 1
667 . 1 . 1 61 61 ALA HB3 H 1 1.699 0.000 . 1 . . . . . 61 ALA HB3 . 52557 1
668 . 1 . 1 61 61 ALA C C 13 175.727 0.000 . 1 . . . . . 61 ALA C . 52557 1
669 . 1 . 1 61 61 ALA CA C 13 52.073 0.040 . 1 . . . . . 61 ALA CA . 52557 1
670 . 1 . 1 61 61 ALA CB C 13 19.500 0.011 . 1 . . . . . 61 ALA CB . 52557 1
671 . 1 . 1 61 61 ALA N N 15 125.918 0.018 . 1 . . . . . 61 ALA N . 52557 1
672 . 1 . 1 62 62 ASP H H 1 9.157 0.006 . 1 . . . . . 62 ASP H . 52557 1
673 . 1 . 1 62 62 ASP HA H 1 4.337 0.001 . 1 . . . . . 62 ASP HA . 52557 1
674 . 1 . 1 62 62 ASP HB2 H 1 2.757 0.002 . 1 . . . . . 62 ASP HB2 . 52557 1
675 . 1 . 1 62 62 ASP HB3 H 1 2.757 0.002 . 1 . . . . . 62 ASP HB3 . 52557 1
676 . 1 . 1 62 62 ASP C C 13 179.004 0.000 . 1 . . . . . 62 ASP C . 52557 1
677 . 1 . 1 62 62 ASP CA C 13 58.075 0.066 . 1 . . . . . 62 ASP CA . 52557 1
678 . 1 . 1 62 62 ASP CB C 13 40.417 0.010 . 1 . . . . . 62 ASP CB . 52557 1
679 . 1 . 1 62 62 ASP N N 15 122.993 0.020 . 1 . . . . . 62 ASP N . 52557 1
680 . 1 . 1 63 63 SER H H 1 8.162 0.003 . 1 . . . . . 63 SER H . 52557 1
681 . 1 . 1 63 63 SER HA H 1 4.208 0.000 . 1 . . . . . 63 SER HA . 52557 1
682 . 1 . 1 63 63 SER HB2 H 1 3.876 0.000 . 2 . . . . . 63 SER HB2 . 52557 1
683 . 1 . 1 63 63 SER HB3 H 1 3.808 0.000 . 2 . . . . . 63 SER HB3 . 52557 1
684 . 1 . 1 63 63 SER C C 13 178.167 0.000 . 1 . . . . . 63 SER C . 52557 1
685 . 1 . 1 63 63 SER CA C 13 60.076 0.022 . 1 . . . . . 63 SER CA . 52557 1
686 . 1 . 1 63 63 SER CB C 13 62.833 0.036 . 1 . . . . . 63 SER CB . 52557 1
687 . 1 . 1 63 63 SER N N 15 110.422 0.034 . 1 . . . . . 63 SER N . 52557 1
688 . 1 . 1 64 64 VAL H H 1 7.310 0.005 . 1 . . . . . 64 VAL H . 52557 1
689 . 1 . 1 64 64 VAL HA H 1 4.120 0.004 . 1 . . . . . 64 VAL HA . 52557 1
690 . 1 . 1 64 64 VAL HB H 1 1.108 0.002 . 1 . . . . . 64 VAL HB . 52557 1
691 . 1 . 1 64 64 VAL HG11 H 1 0.908 0.004 . 2 . . . . . 64 VAL HG11 . 52557 1
692 . 1 . 1 64 64 VAL HG12 H 1 0.908 0.004 . 2 . . . . . 64 VAL HG12 . 52557 1
693 . 1 . 1 64 64 VAL HG13 H 1 0.908 0.004 . 2 . . . . . 64 VAL HG13 . 52557 1
694 . 1 . 1 64 64 VAL HG21 H 1 0.269 0.004 . 2 . . . . . 64 VAL HG21 . 52557 1
695 . 1 . 1 64 64 VAL HG22 H 1 0.269 0.004 . 2 . . . . . 64 VAL HG22 . 52557 1
696 . 1 . 1 64 64 VAL HG23 H 1 0.269 0.004 . 2 . . . . . 64 VAL HG23 . 52557 1
697 . 1 . 1 64 64 VAL C C 13 175.497 0.000 . 1 . . . . . 64 VAL C . 52557 1
698 . 1 . 1 64 64 VAL CA C 13 60.264 0.131 . 1 . . . . . 64 VAL CA . 52557 1
699 . 1 . 1 64 64 VAL CB C 13 31.569 0.024 . 1 . . . . . 64 VAL CB . 52557 1
700 . 1 . 1 64 64 VAL CG1 C 13 19.557 0.000 . 2 . . . . . 64 VAL CG1 . 52557 1
701 . 1 . 1 64 64 VAL CG2 C 13 20.887 0.000 . 2 . . . . . 64 VAL CG2 . 52557 1
702 . 1 . 1 64 64 VAL N N 15 111.186 0.022 . 1 . . . . . 64 VAL N . 52557 1
703 . 1 . 1 65 65 LYS H H 1 7.328 0.002 . 1 . . . . . 65 LYS H . 52557 1
704 . 1 . 1 65 65 LYS HA H 1 3.646 0.009 . 1 . . . . . 65 LYS HA . 52557 1
705 . 1 . 1 65 65 LYS HB2 H 1 1.844 0.004 . 1 . . . . . 65 LYS HB2 . 52557 1
706 . 1 . 1 65 65 LYS HB3 H 1 1.844 0.004 . 1 . . . . . 65 LYS HB3 . 52557 1
707 . 1 . 1 65 65 LYS HG2 H 1 1.431 0.008 . 1 . . . . . 65 LYS HG2 . 52557 1
708 . 1 . 1 65 65 LYS HG3 H 1 1.431 0.008 . 1 . . . . . 65 LYS HG3 . 52557 1
709 . 1 . 1 65 65 LYS HD2 H 1 1.814 0.002 . 1 . . . . . 65 LYS HD2 . 52557 1
710 . 1 . 1 65 65 LYS HD3 H 1 1.814 0.002 . 1 . . . . . 65 LYS HD3 . 52557 1
711 . 1 . 1 65 65 LYS HE2 H 1 3.089 0.012 . 1 . . . . . 65 LYS HE2 . 52557 1
712 . 1 . 1 65 65 LYS HE3 H 1 3.089 0.012 . 1 . . . . . 65 LYS HE3 . 52557 1
713 . 1 . 1 65 65 LYS C C 13 175.046 0.000 . 1 . . . . . 65 LYS C . 52557 1
714 . 1 . 1 65 65 LYS CA C 13 58.343 0.090 . 1 . . . . . 65 LYS CA . 52557 1
715 . 1 . 1 65 65 LYS CB C 13 32.499 0.040 . 1 . . . . . 65 LYS CB . 52557 1
716 . 1 . 1 65 65 LYS CG C 13 25.009 0.000 . 1 . . . . . 65 LYS CG . 52557 1
717 . 1 . 1 65 65 LYS CD C 13 29.604 0.000 . 1 . . . . . 65 LYS CD . 52557 1
718 . 1 . 1 65 65 LYS CE C 13 42.283 0.000 . 1 . . . . . 65 LYS CE . 52557 1
719 . 1 . 1 65 65 LYS N N 15 125.637 0.030 . 1 . . . . . 65 LYS N . 52557 1
720 . 1 . 1 66 66 GLY H H 1 9.246 0.004 . 1 . . . . . 66 GLY H . 52557 1
721 . 1 . 1 66 66 GLY HA2 H 1 3.549 0.002 . 2 . . . . . 66 GLY HA2 . 52557 1
722 . 1 . 1 66 66 GLY HA3 H 1 4.278 0.003 . 2 . . . . . 66 GLY HA3 . 52557 1
723 . 1 . 1 66 66 GLY C C 13 177.337 0.000 . 1 . . . . . 66 GLY C . 52557 1
724 . 1 . 1 66 66 GLY CA C 13 45.321 0.058 . 1 . . . . . 66 GLY CA . 52557 1
725 . 1 . 1 66 66 GLY N N 15 116.724 0.105 . 1 . . . . . 66 GLY N . 52557 1
726 . 1 . 1 67 67 ARG H H 1 7.611 0.003 . 1 . . . . . 67 ARG H . 52557 1
727 . 1 . 1 67 67 ARG HA H 1 4.627 0.004 . 1 . . . . . 67 ARG HA . 52557 1
728 . 1 . 1 67 67 ARG HB2 H 1 2.253 0.005 . 2 . . . . . 67 ARG HB2 . 52557 1
729 . 1 . 1 67 67 ARG HB3 H 1 1.580 0.002 . 2 . . . . . 67 ARG HB3 . 52557 1
730 . 1 . 1 67 67 ARG HG2 H 1 1.437 0.007 . 1 . . . . . 67 ARG HG2 . 52557 1
731 . 1 . 1 67 67 ARG HG3 H 1 1.437 0.007 . 1 . . . . . 67 ARG HG3 . 52557 1
732 . 1 . 1 67 67 ARG C C 13 173.837 0.000 . 1 . . . . . 67 ARG C . 52557 1
733 . 1 . 1 67 67 ARG CA C 13 57.145 0.075 . 1 . . . . . 67 ARG CA . 52557 1
734 . 1 . 1 67 67 ARG CB C 13 30.850 0.010 . 1 . . . . . 67 ARG CB . 52557 1
735 . 1 . 1 67 67 ARG CG C 13 28.450 0.000 . 1 . . . . . 67 ARG CG . 52557 1
736 . 1 . 1 67 67 ARG N N 15 116.873 0.028 . 1 . . . . . 67 ARG N . 52557 1
737 . 1 . 1 68 68 PHE H H 1 7.511 0.004 . 1 . . . . . 68 PHE H . 52557 1
738 . 1 . 1 68 68 PHE HA H 1 6.060 0.005 . 1 . . . . . 68 PHE HA . 52557 1
739 . 1 . 1 68 68 PHE HB2 H 1 2.933 0.003 . 1 . . . . . 68 PHE HB2 . 52557 1
740 . 1 . 1 68 68 PHE HB3 H 1 2.933 0.003 . 1 . . . . . 68 PHE HB3 . 52557 1
741 . 1 . 1 68 68 PHE HD1 H 1 7.018 0.010 . 1 . . . . . 68 PHE HD1 . 52557 1
742 . 1 . 1 68 68 PHE HD2 H 1 7.018 0.010 . 1 . . . . . 68 PHE HD2 . 52557 1
743 . 1 . 1 68 68 PHE HE1 H 1 7.250 0.002 . 1 . . . . . 68 PHE HE1 . 52557 1
744 . 1 . 1 68 68 PHE HE2 H 1 7.250 0.002 . 1 . . . . . 68 PHE HE2 . 52557 1
745 . 1 . 1 68 68 PHE C C 13 175.652 0.000 . 1 . . . . . 68 PHE C . 52557 1
746 . 1 . 1 68 68 PHE CA C 13 52.561 0.004 . 1 . . . . . 68 PHE CA . 52557 1
747 . 1 . 1 68 68 PHE CB C 13 39.263 0.039 . 1 . . . . . 68 PHE CB . 52557 1
748 . 1 . 1 68 68 PHE CD1 C 13 129.149 0.000 . 1 . . . . . 68 PHE CD1 . 52557 1
749 . 1 . 1 68 68 PHE CD2 C 13 129.149 0.000 . 1 . . . . . 68 PHE CD2 . 52557 1
750 . 1 . 1 68 68 PHE CE1 C 13 131.489 0.000 . 1 . . . . . 68 PHE CE1 . 52557 1
751 . 1 . 1 68 68 PHE CE2 C 13 131.489 0.000 . 1 . . . . . 68 PHE CE2 . 52557 1
752 . 1 . 1 68 68 PHE N N 15 120.056 0.055 . 1 . . . . . 68 PHE N . 52557 1
753 . 1 . 1 69 69 THR H H 1 9.069 0.003 . 1 . . . . . 69 THR H . 52557 1
754 . 1 . 1 69 69 THR HA H 1 5.169 0.003 . 1 . . . . . 69 THR HA . 52557 1
755 . 1 . 1 69 69 THR HB H 1 3.870 0.002 . 1 . . . . . 69 THR HB . 52557 1
756 . 1 . 1 69 69 THR HG21 H 1 1.202 0.008 . 1 . . . . . 69 THR HG21 . 52557 1
757 . 1 . 1 69 69 THR HG22 H 1 1.202 0.008 . 1 . . . . . 69 THR HG22 . 52557 1
758 . 1 . 1 69 69 THR HG23 H 1 1.202 0.008 . 1 . . . . . 69 THR HG23 . 52557 1
759 . 1 . 1 69 69 THR C C 13 174.592 0.000 . 1 . . . . . 69 THR C . 52557 1
760 . 1 . 1 69 69 THR CA C 13 61.342 0.053 . 1 . . . . . 69 THR CA . 52557 1
761 . 1 . 1 69 69 THR CB C 13 71.725 0.014 . 1 . . . . . 69 THR CB . 52557 1
762 . 1 . 1 69 69 THR CG2 C 13 21.293 0.000 . 1 . . . . . 69 THR CG2 . 52557 1
763 . 1 . 1 69 69 THR N N 15 113.557 0.048 . 1 . . . . . 69 THR N . 52557 1
764 . 1 . 1 70 70 ILE H H 1 9.521 0.003 . 1 . . . . . 70 ILE H . 52557 1
765 . 1 . 1 70 70 ILE HA H 1 5.504 0.007 . 1 . . . . . 70 ILE HA . 52557 1
766 . 1 . 1 70 70 ILE HB H 1 1.940 0.020 . 1 . . . . . 70 ILE HB . 52557 1
767 . 1 . 1 70 70 ILE HG21 H 1 1.076 0.009 . 1 . . . . . 70 ILE HG21 . 52557 1
768 . 1 . 1 70 70 ILE HG22 H 1 1.076 0.009 . 1 . . . . . 70 ILE HG22 . 52557 1
769 . 1 . 1 70 70 ILE HG23 H 1 1.076 0.009 . 1 . . . . . 70 ILE HG23 . 52557 1
770 . 1 . 1 70 70 ILE HD11 H 1 0.925 0.007 . 1 . . . . . 70 ILE HD11 . 52557 1
771 . 1 . 1 70 70 ILE HD12 H 1 0.925 0.007 . 1 . . . . . 70 ILE HD12 . 52557 1
772 . 1 . 1 70 70 ILE HD13 H 1 0.925 0.007 . 1 . . . . . 70 ILE HD13 . 52557 1
773 . 1 . 1 70 70 ILE C C 13 174.574 0.000 . 1 . . . . . 70 ILE C . 52557 1
774 . 1 . 1 70 70 ILE CA C 13 59.020 0.040 . 1 . . . . . 70 ILE CA . 52557 1
775 . 1 . 1 70 70 ILE CB C 13 41.264 0.018 . 1 . . . . . 70 ILE CB . 52557 1
776 . 1 . 1 70 70 ILE CG2 C 13 15.444 0.000 . 1 . . . . . 70 ILE CG2 . 52557 1
777 . 1 . 1 70 70 ILE CD1 C 13 15.085 0.000 . 1 . . . . . 70 ILE CD1 . 52557 1
778 . 1 . 1 70 70 ILE N N 15 134.003 0.041 . 1 . . . . . 70 ILE N . 52557 1
779 . 1 . 1 71 71 SER H H 1 8.541 0.003 . 1 . . . . . 71 SER H . 52557 1
780 . 1 . 1 71 71 SER HA H 1 4.596 0.022 . 1 . . . . . 71 SER HA . 52557 1
781 . 1 . 1 71 71 SER HB2 H 1 3.961 0.011 . 2 . . . . . 71 SER HB2 . 52557 1
782 . 1 . 1 71 71 SER HB3 H 1 4.064 0.002 . 2 . . . . . 71 SER HB3 . 52557 1
783 . 1 . 1 71 71 SER C C 13 171.614 0.000 . 1 . . . . . 71 SER C . 52557 1
784 . 1 . 1 71 71 SER CA C 13 58.208 0.001 . 1 . . . . . 71 SER CA . 52557 1
785 . 1 . 1 71 71 SER CB C 13 65.481 0.040 . 1 . . . . . 71 SER CB . 52557 1
786 . 1 . 1 71 71 SER N N 15 117.930 0.024 . 1 . . . . . 71 SER N . 52557 1
787 . 1 . 1 72 72 ARG H H 1 9.472 0.004 . 1 . . . . . 72 ARG H . 52557 1
788 . 1 . 1 72 72 ARG HA H 1 5.518 0.002 . 1 . . . . . 72 ARG HA . 52557 1
789 . 1 . 1 72 72 ARG HB2 H 1 2.401 0.004 . 2 . . . . . 72 ARG HB2 . 52557 1
790 . 1 . 1 72 72 ARG HB3 H 1 1.471 0.014 . 2 . . . . . 72 ARG HB3 . 52557 1
791 . 1 . 1 72 72 ARG C C 13 172.215 0.000 . 1 . . . . . 72 ARG C . 52557 1
792 . 1 . 1 72 72 ARG CA C 13 54.565 0.070 . 1 . . . . . 72 ARG CA . 52557 1
793 . 1 . 1 72 72 ARG CB C 13 35.571 0.035 . 1 . . . . . 72 ARG CB . 52557 1
794 . 1 . 1 72 72 ARG N N 15 115.820 0.033 . 1 . . . . . 72 ARG N . 52557 1
795 . 1 . 1 73 73 ASP H H 1 9.084 0.003 . 1 . . . . . 73 ASP H . 52557 1
796 . 1 . 1 73 73 ASP HA H 1 5.033 0.002 . 1 . . . . . 73 ASP HA . 52557 1
797 . 1 . 1 73 73 ASP HB2 H 1 2.694 0.013 . 2 . . . . . 73 ASP HB2 . 52557 1
798 . 1 . 1 73 73 ASP HB3 H 1 2.884 0.000 . 2 . . . . . 73 ASP HB3 . 52557 1
799 . 1 . 1 73 73 ASP C C 13 172.898 0.000 . 1 . . . . . 73 ASP C . 52557 1
800 . 1 . 1 73 73 ASP CA C 13 52.428 0.054 . 1 . . . . . 73 ASP CA . 52557 1
801 . 1 . 1 73 73 ASP CB C 13 43.057 0.032 . 1 . . . . . 73 ASP CB . 52557 1
802 . 1 . 1 73 73 ASP N N 15 119.291 0.030 . 1 . . . . . 73 ASP N . 52557 1
803 . 1 . 1 74 74 ASN H H 1 9.552 0.003 . 1 . . . . . 74 ASN H . 52557 1
804 . 1 . 1 74 74 ASN HA H 1 5.011 0.011 . 1 . . . . . 74 ASN HA . 52557 1
805 . 1 . 1 74 74 ASN HB2 H 1 2.964 0.004 . 2 . . . . . 74 ASN HB2 . 52557 1
806 . 1 . 1 74 74 ASN HB3 H 1 3.139 0.004 . 2 . . . . . 74 ASN HB3 . 52557 1
807 . 1 . 1 74 74 ASN HD21 H 1 7.639 0.003 . 1 . . . . . 74 ASN HD21 . 52557 1
808 . 1 . 1 74 74 ASN HD22 H 1 7.483 0.003 . 1 . . . . . 74 ASN HD22 . 52557 1
809 . 1 . 1 74 74 ASN C C 13 177.274 0.000 . 1 . . . . . 74 ASN C . 52557 1
810 . 1 . 1 74 74 ASN CA C 13 54.997 0.145 . 1 . . . . . 74 ASN CA . 52557 1
811 . 1 . 1 74 74 ASN CB C 13 37.295 0.005 . 1 . . . . . 74 ASN CB . 52557 1
812 . 1 . 1 74 74 ASN N N 15 124.814 0.021 . 1 . . . . . 74 ASN N . 52557 1
813 . 1 . 1 74 74 ASN ND2 N 15 109.025 0.211 . 1 . . . . . 74 ASN ND2 . 52557 1
814 . 1 . 1 75 75 ALA H H 1 8.568 0.004 . 1 . . . . . 75 ALA H . 52557 1
815 . 1 . 1 75 75 ALA HA H 1 4.413 0.020 . 1 . . . . . 75 ALA HA . 52557 1
816 . 1 . 1 75 75 ALA HB1 H 1 1.540 0.008 . 1 . . . . . 75 ALA HB1 . 52557 1
817 . 1 . 1 75 75 ALA HB2 H 1 1.540 0.008 . 1 . . . . . 75 ALA HB2 . 52557 1
818 . 1 . 1 75 75 ALA HB3 H 1 1.540 0.008 . 1 . . . . . 75 ALA HB3 . 52557 1
819 . 1 . 1 75 75 ALA C C 13 176.337 0.000 . 1 . . . . . 75 ALA C . 52557 1
820 . 1 . 1 75 75 ALA CA C 13 53.932 0.031 . 1 . . . . . 75 ALA CA . 52557 1
821 . 1 . 1 75 75 ALA CB C 13 18.710 0.010 . 1 . . . . . 75 ALA CB . 52557 1
822 . 1 . 1 75 75 ALA N N 15 122.323 0.031 . 1 . . . . . 75 ALA N . 52557 1
823 . 1 . 1 76 76 LYS H H 1 7.171 0.004 . 1 . . . . . 76 LYS H . 52557 1
824 . 1 . 1 76 76 LYS HA H 1 4.320 0.003 . 1 . . . . . 76 LYS HA . 52557 1
825 . 1 . 1 76 76 LYS HB2 H 1 1.263 0.005 . 2 . . . . . 76 LYS HB2 . 52557 1
826 . 1 . 1 76 76 LYS HB3 H 1 1.974 0.002 . 2 . . . . . 76 LYS HB3 . 52557 1
827 . 1 . 1 76 76 LYS HG2 H 1 1.426 0.005 . 2 . . . . . 76 LYS HG2 . 52557 1
828 . 1 . 1 76 76 LYS HG3 H 1 1.265 0.005 . 2 . . . . . 76 LYS HG3 . 52557 1
829 . 1 . 1 76 76 LYS HD2 H 1 1.624 0.013 . 1 . . . . . 76 LYS HD2 . 52557 1
830 . 1 . 1 76 76 LYS HD3 H 1 1.624 0.013 . 1 . . . . . 76 LYS HD3 . 52557 1
831 . 1 . 1 76 76 LYS HE2 H 1 2.974 0.000 . 1 . . . . . 76 LYS HE2 . 52557 1
832 . 1 . 1 76 76 LYS HE3 H 1 2.974 0.000 . 1 . . . . . 76 LYS HE3 . 52557 1
833 . 1 . 1 76 76 LYS C C 13 179.162 0.000 . 1 . . . . . 76 LYS C . 52557 1
834 . 1 . 1 76 76 LYS CA C 13 55.057 0.119 . 1 . . . . . 76 LYS CA . 52557 1
835 . 1 . 1 76 76 LYS CB C 13 34.459 0.001 . 1 . . . . . 76 LYS CB . 52557 1
836 . 1 . 1 76 76 LYS CG C 13 25.430 0.000 . 1 . . . . . 76 LYS CG . 52557 1
837 . 1 . 1 76 76 LYS CD C 13 29.054 0.000 . 1 . . . . . 76 LYS CD . 52557 1
838 . 1 . 1 76 76 LYS CE C 13 42.077 0.000 . 1 . . . . . 76 LYS CE . 52557 1
839 . 1 . 1 76 76 LYS N N 15 115.009 0.064 . 1 . . . . . 76 LYS N . 52557 1
840 . 1 . 1 77 77 ASN H H 1 7.494 0.003 . 1 . . . . . 77 ASN H . 52557 1
841 . 1 . 1 77 77 ASN C C 13 174.682 0.000 . 1 . . . . . 77 ASN C . 52557 1
842 . 1 . 1 77 77 ASN CA C 13 53.457 0.000 . 1 . . . . . 77 ASN CA . 52557 1
843 . 1 . 1 77 77 ASN CB C 13 35.718 0.020 . 1 . . . . . 77 ASN CB . 52557 1
844 . 1 . 1 77 77 ASN N N 15 116.921 0.017 . 1 . . . . . 77 ASN N . 52557 1
845 . 1 . 1 78 78 MET H H 1 6.913 0.005 . 1 . . . . . 78 MET H . 52557 1
846 . 1 . 1 78 78 MET HA H 1 5.547 0.003 . 1 . . . . . 78 MET HA . 52557 1
847 . 1 . 1 78 78 MET HB2 H 1 1.468 0.002 . 2 . . . . . 78 MET HB2 . 52557 1
848 . 1 . 1 78 78 MET HB3 H 1 1.268 0.004 . 2 . . . . . 78 MET HB3 . 52557 1
849 . 1 . 1 78 78 MET HG2 H 1 2.511 0.018 . 2 . . . . . 78 MET HG2 . 52557 1
850 . 1 . 1 78 78 MET HG3 H 1 2.276 0.005 . 2 . . . . . 78 MET HG3 . 52557 1
851 . 1 . 1 78 78 MET HE1 H 1 1.957 0.000 . 1 . . . . . 78 MET HE1 . 52557 1
852 . 1 . 1 78 78 MET HE2 H 1 1.957 0.000 . 1 . . . . . 78 MET HE2 . 52557 1
853 . 1 . 1 78 78 MET HE3 H 1 1.957 0.000 . 1 . . . . . 78 MET HE3 . 52557 1
854 . 1 . 1 78 78 MET C C 13 172.016 0.000 . 1 . . . . . 78 MET C . 52557 1
855 . 1 . 1 78 78 MET CA C 13 52.417 0.010 . 1 . . . . . 78 MET CA . 52557 1
856 . 1 . 1 78 78 MET CB C 13 36.736 0.021 . 1 . . . . . 78 MET CB . 52557 1
857 . 1 . 1 78 78 MET CG C 13 31.483 0.000 . 1 . . . . . 78 MET CG . 52557 1
858 . 1 . 1 78 78 MET CE C 13 16.409 0.000 . 1 . . . . . 78 MET CE . 52557 1
859 . 1 . 1 78 78 MET N N 15 112.017 0.026 . 1 . . . . . 78 MET N . 52557 1
860 . 1 . 1 79 79 VAL H H 1 8.792 0.003 . 1 . . . . . 79 VAL H . 52557 1
861 . 1 . 1 79 79 VAL HA H 1 4.811 0.002 . 1 . . . . . 79 VAL HA . 52557 1
862 . 1 . 1 79 79 VAL HB H 1 1.963 0.007 . 1 . . . . . 79 VAL HB . 52557 1
863 . 1 . 1 79 79 VAL HG11 H 1 1.152 0.012 . 2 . . . . . 79 VAL HG11 . 52557 1
864 . 1 . 1 79 79 VAL HG12 H 1 1.152 0.012 . 2 . . . . . 79 VAL HG12 . 52557 1
865 . 1 . 1 79 79 VAL HG13 H 1 1.152 0.012 . 2 . . . . . 79 VAL HG13 . 52557 1
866 . 1 . 1 79 79 VAL HG21 H 1 1.208 0.005 . 2 . . . . . 79 VAL HG21 . 52557 1
867 . 1 . 1 79 79 VAL HG22 H 1 1.208 0.005 . 2 . . . . . 79 VAL HG22 . 52557 1
868 . 1 . 1 79 79 VAL HG23 H 1 1.208 0.005 . 2 . . . . . 79 VAL HG23 . 52557 1
869 . 1 . 1 79 79 VAL C C 13 175.999 0.000 . 1 . . . . . 79 VAL C . 52557 1
870 . 1 . 1 79 79 VAL CA C 13 59.704 0.048 . 1 . . . . . 79 VAL CA . 52557 1
871 . 1 . 1 79 79 VAL CB C 13 35.189 0.028 . 1 . . . . . 79 VAL CB . 52557 1
872 . 1 . 1 79 79 VAL CG1 C 13 23.928 0.000 . 2 . . . . . 79 VAL CG1 . 52557 1
873 . 1 . 1 79 79 VAL CG2 C 13 23.304 0.000 . 2 . . . . . 79 VAL CG2 . 52557 1
874 . 1 . 1 79 79 VAL N N 15 120.388 0.041 . 1 . . . . . 79 VAL N . 52557 1
875 . 1 . 1 80 80 TYR H H 1 9.208 0.004 . 1 . . . . . 80 TYR H . 52557 1
876 . 1 . 1 80 80 TYR HA H 1 5.846 0.005 . 1 . . . . . 80 TYR HA . 52557 1
877 . 1 . 1 80 80 TYR HB2 H 1 2.838 0.005 . 1 . . . . . 80 TYR HB2 . 52557 1
878 . 1 . 1 80 80 TYR HB3 H 1 2.838 0.005 . 1 . . . . . 80 TYR HB3 . 52557 1
879 . 1 . 1 80 80 TYR HD1 H 1 7.035 0.014 . 1 . . . . . 80 TYR HD1 . 52557 1
880 . 1 . 1 80 80 TYR HD2 H 1 7.035 0.014 . 1 . . . . . 80 TYR HD2 . 52557 1
881 . 1 . 1 80 80 TYR HE1 H 1 6.635 0.015 . 1 . . . . . 80 TYR HE1 . 52557 1
882 . 1 . 1 80 80 TYR HE2 H 1 6.635 0.015 . 1 . . . . . 80 TYR HE2 . 52557 1
883 . 1 . 1 80 80 TYR C C 13 173.228 0.000 . 1 . . . . . 80 TYR C . 52557 1
884 . 1 . 1 80 80 TYR CA C 13 56.508 0.093 . 1 . . . . . 80 TYR CA . 52557 1
885 . 1 . 1 80 80 TYR CB C 13 41.839 0.013 . 1 . . . . . 80 TYR CB . 52557 1
886 . 1 . 1 80 80 TYR CD1 C 13 133.469 0.000 . 1 . . . . . 80 TYR CD1 . 52557 1
887 . 1 . 1 80 80 TYR CD2 C 13 133.469 0.000 . 1 . . . . . 80 TYR CD2 . 52557 1
888 . 1 . 1 80 80 TYR CE1 C 13 117.689 0.000 . 1 . . . . . 80 TYR CE1 . 52557 1
889 . 1 . 1 80 80 TYR CE2 C 13 117.689 0.000 . 1 . . . . . 80 TYR CE2 . 52557 1
890 . 1 . 1 80 80 TYR N N 15 123.775 0.018 . 1 . . . . . 80 TYR N . 52557 1
891 . 1 . 1 81 81 LEU H H 1 8.605 0.006 . 1 . . . . . 81 LEU H . 52557 1
892 . 1 . 1 81 81 LEU HA H 1 4.680 0.002 . 1 . . . . . 81 LEU HA . 52557 1
893 . 1 . 1 81 81 LEU HB2 H 1 0.663 0.005 . 2 . . . . . 81 LEU HB2 . 52557 1
894 . 1 . 1 81 81 LEU HB3 H 1 -0.678 0.009 . 2 . . . . . 81 LEU HB3 . 52557 1
895 . 1 . 1 81 81 LEU HG H 1 0.152 0.010 . 1 . . . . . 81 LEU HG . 52557 1
896 . 1 . 1 81 81 LEU HD11 H 1 0.519 0.013 . 2 . . . . . 81 LEU HD11 . 52557 1
897 . 1 . 1 81 81 LEU HD12 H 1 0.519 0.013 . 2 . . . . . 81 LEU HD12 . 52557 1
898 . 1 . 1 81 81 LEU HD13 H 1 0.519 0.013 . 2 . . . . . 81 LEU HD13 . 52557 1
899 . 1 . 1 81 81 LEU HD21 H 1 0.679 0.008 . 2 . . . . . 81 LEU HD21 . 52557 1
900 . 1 . 1 81 81 LEU HD22 H 1 0.679 0.008 . 2 . . . . . 81 LEU HD22 . 52557 1
901 . 1 . 1 81 81 LEU HD23 H 1 0.679 0.008 . 2 . . . . . 81 LEU HD23 . 52557 1
902 . 1 . 1 81 81 LEU C C 13 175.748 0.000 . 1 . . . . . 81 LEU C . 52557 1
903 . 1 . 1 81 81 LEU CA C 13 53.494 0.053 . 1 . . . . . 81 LEU CA . 52557 1
904 . 1 . 1 81 81 LEU CB C 13 43.152 0.002 . 1 . . . . . 81 LEU CB . 52557 1
905 . 1 . 1 81 81 LEU CG C 13 25.739 0.000 . 1 . . . . . 81 LEU CG . 52557 1
906 . 1 . 1 81 81 LEU CD1 C 13 26.364 0.000 . 2 . . . . . 81 LEU CD1 . 52557 1
907 . 1 . 1 81 81 LEU CD2 C 13 22.183 0.000 . 2 . . . . . 81 LEU CD2 . 52557 1
908 . 1 . 1 81 81 LEU N N 15 122.385 0.038 . 1 . . . . . 81 LEU N . 52557 1
909 . 1 . 1 82 82 GLN H H 1 9.035 0.005 . 1 . . . . . 82 GLN H . 52557 1
910 . 1 . 1 82 82 GLN HA H 1 4.206 0.001 . 1 . . . . . 82 GLN HA . 52557 1
911 . 1 . 1 82 82 GLN HB2 H 1 1.972 0.013 . 1 . . . . . 82 GLN HB2 . 52557 1
912 . 1 . 1 82 82 GLN HB3 H 1 1.972 0.013 . 1 . . . . . 82 GLN HB3 . 52557 1
913 . 1 . 1 82 82 GLN HG2 H 1 2.375 0.006 . 1 . . . . . 82 GLN HG2 . 52557 1
914 . 1 . 1 82 82 GLN HG3 H 1 2.371 0.002 . 1 . . . . . 82 GLN HG3 . 52557 1
915 . 1 . 1 82 82 GLN C C 13 174.191 0.000 . 1 . . . . . 82 GLN C . 52557 1
916 . 1 . 1 82 82 GLN CA C 13 54.830 0.110 . 1 . . . . . 82 GLN CA . 52557 1
917 . 1 . 1 82 82 GLN CB C 13 29.046 0.045 . 1 . . . . . 82 GLN CB . 52557 1
918 . 1 . 1 82 82 GLN CG C 13 33.397 0.000 . 1 . . . . . 82 GLN CG . 52557 1
919 . 1 . 1 82 82 GLN N N 15 129.406 0.031 . 1 . . . . . 82 GLN N . 52557 1
920 . 1 . 1 83 83 MET H H 1 8.838 0.003 . 1 . . . . . 83 MET H . 52557 1
921 . 1 . 1 83 83 MET HA H 1 4.055 0.001 . 1 . . . . . 83 MET HA . 52557 1
922 . 1 . 1 83 83 MET HB2 H 1 0.970 0.019 . 1 . . . . . 83 MET HB2 . 52557 1
923 . 1 . 1 83 83 MET HB3 H 1 0.970 0.019 . 1 . . . . . 83 MET HB3 . 52557 1
924 . 1 . 1 83 83 MET HG2 H 1 1.455 0.004 . 2 . . . . . 83 MET HG2 . 52557 1
925 . 1 . 1 83 83 MET HG3 H 1 0.004 0.004 . 2 . . . . . 83 MET HG3 . 52557 1
926 . 1 . 1 83 83 MET C C 13 174.260 0.000 . 1 . . . . . 83 MET C . 52557 1
927 . 1 . 1 83 83 MET CA C 13 54.744 0.104 . 1 . . . . . 83 MET CA . 52557 1
928 . 1 . 1 83 83 MET CB C 13 35.092 0.004 . 1 . . . . . 83 MET CB . 52557 1
929 . 1 . 1 83 83 MET CG C 13 29.755 0.000 . 1 . . . . . 83 MET CG . 52557 1
930 . 1 . 1 83 83 MET N N 15 127.876 0.050 . 1 . . . . . 83 MET N . 52557 1
931 . 1 . 1 84 84 ASP H H 1 7.725 0.003 . 1 . . . . . 84 ASP H . 52557 1
932 . 1 . 1 84 84 ASP HA H 1 5.134 0.002 . 1 . . . . . 84 ASP HA . 52557 1
933 . 1 . 1 84 84 ASP HB2 H 1 2.573 0.002 . 2 . . . . . 84 ASP HB2 . 52557 1
934 . 1 . 1 84 84 ASP HB3 H 1 2.822 0.003 . 2 . . . . . 84 ASP HB3 . 52557 1
935 . 1 . 1 84 84 ASP C C 13 172.471 0.000 . 1 . . . . . 84 ASP C . 52557 1
936 . 1 . 1 84 84 ASP CA C 13 52.589 0.007 . 1 . . . . . 84 ASP CA . 52557 1
937 . 1 . 1 84 84 ASP CB C 13 43.627 0.018 . 1 . . . . . 84 ASP CB . 52557 1
938 . 1 . 1 84 84 ASP N N 15 121.107 0.046 . 1 . . . . . 84 ASP N . 52557 1
939 . 1 . 1 85 85 ASN H H 1 8.542 0.003 . 1 . . . . . 85 ASN H . 52557 1
940 . 1 . 1 85 85 ASN HA H 1 4.029 0.014 . 1 . . . . . 85 ASN HA . 52557 1
941 . 1 . 1 85 85 ASN HB2 H 1 2.498 0.007 . 2 . . . . . 85 ASN HB2 . 52557 1
942 . 1 . 1 85 85 ASN HB3 H 1 2.996 0.002 . 2 . . . . . 85 ASN HB3 . 52557 1
943 . 1 . 1 85 85 ASN C C 13 173.995 0.000 . 1 . . . . . 85 ASN C . 52557 1
944 . 1 . 1 85 85 ASN CA C 13 53.241 0.099 . 1 . . . . . 85 ASN CA . 52557 1
945 . 1 . 1 85 85 ASN CB C 13 37.339 0.026 . 1 . . . . . 85 ASN CB . 52557 1
946 . 1 . 1 85 85 ASN N N 15 114.030 0.060 . 1 . . . . . 85 ASN N . 52557 1
947 . 1 . 1 86 86 LEU H H 1 8.152 0.003 . 1 . . . . . 86 LEU H . 52557 1
948 . 1 . 1 86 86 LEU HA H 1 3.921 0.001 . 1 . . . . . 86 LEU HA . 52557 1
949 . 1 . 1 86 86 LEU HB2 H 1 1.432 0.008 . 2 . . . . . 86 LEU HB2 . 52557 1
950 . 1 . 1 86 86 LEU HB3 H 1 1.244 0.025 . 2 . . . . . 86 LEU HB3 . 52557 1
951 . 1 . 1 86 86 LEU HG H 1 1.304 0.004 . 1 . . . . . 86 LEU HG . 52557 1
952 . 1 . 1 86 86 LEU HD11 H 1 0.870 0.018 . 2 . . . . . 86 LEU HD11 . 52557 1
953 . 1 . 1 86 86 LEU HD12 H 1 0.870 0.018 . 2 . . . . . 86 LEU HD12 . 52557 1
954 . 1 . 1 86 86 LEU HD13 H 1 0.870 0.018 . 2 . . . . . 86 LEU HD13 . 52557 1
955 . 1 . 1 86 86 LEU HD21 H 1 0.512 0.002 . 2 . . . . . 86 LEU HD21 . 52557 1
956 . 1 . 1 86 86 LEU HD22 H 1 0.512 0.002 . 2 . . . . . 86 LEU HD22 . 52557 1
957 . 1 . 1 86 86 LEU HD23 H 1 0.512 0.002 . 2 . . . . . 86 LEU HD23 . 52557 1
958 . 1 . 1 86 86 LEU C C 13 176.173 0.000 . 1 . . . . . 86 LEU C . 52557 1
959 . 1 . 1 86 86 LEU CA C 13 56.893 0.083 . 1 . . . . . 86 LEU CA . 52557 1
960 . 1 . 1 86 86 LEU CB C 13 42.853 0.002 . 1 . . . . . 86 LEU CB . 52557 1
961 . 1 . 1 86 86 LEU CG C 13 28.283 0.000 . 1 . . . . . 86 LEU CG . 52557 1
962 . 1 . 1 86 86 LEU CD1 C 13 24.662 0.000 . 2 . . . . . 86 LEU CD1 . 52557 1
963 . 1 . 1 86 86 LEU CD2 C 13 26.947 0.000 . 2 . . . . . 86 LEU CD2 . 52557 1
964 . 1 . 1 86 86 LEU N N 15 117.459 0.050 . 1 . . . . . 86 LEU N . 52557 1
965 . 1 . 1 87 87 ARG H H 1 9.671 0.003 . 1 . . . . . 87 ARG H . 52557 1
966 . 1 . 1 87 87 ARG HA H 1 4.867 0.005 . 1 . . . . . 87 ARG HA . 52557 1
967 . 1 . 1 87 87 ARG HB2 H 1 1.481 0.002 . 2 . . . . . 87 ARG HB2 . 52557 1
968 . 1 . 1 87 87 ARG HB3 H 1 2.149 0.005 . 2 . . . . . 87 ARG HB3 . 52557 1
969 . 1 . 1 87 87 ARG HG2 H 1 1.730 0.023 . 1 . . . . . 87 ARG HG2 . 52557 1
970 . 1 . 1 87 87 ARG HG3 H 1 1.730 0.023 . 1 . . . . . 87 ARG HG3 . 52557 1
971 . 1 . 1 87 87 ARG HD2 H 1 3.105 0.000 . 1 . . . . . 87 ARG HD2 . 52557 1
972 . 1 . 1 87 87 ARG HD3 H 1 3.105 0.000 . 1 . . . . . 87 ARG HD3 . 52557 1
973 . 1 . 1 87 87 ARG C C 13 176.953 0.000 . 1 . . . . . 87 ARG C . 52557 1
974 . 1 . 1 87 87 ARG CA C 13 53.162 0.048 . 1 . . . . . 87 ARG CA . 52557 1
975 . 1 . 1 87 87 ARG CB C 13 31.838 0.003 . 1 . . . . . 87 ARG CB . 52557 1
976 . 1 . 1 87 87 ARG CG C 13 26.650 0.000 . 1 . . . . . 87 ARG CG . 52557 1
977 . 1 . 1 87 87 ARG CD C 13 43.714 0.000 . 1 . . . . . 87 ARG CD . 52557 1
978 . 1 . 1 87 87 ARG N N 15 121.713 0.029 . 1 . . . . . 87 ARG N . 52557 1
979 . 1 . 1 88 88 PRO HA H 1 4.337 0.006 . 1 . . . . . 88 PRO HA . 52557 1
980 . 1 . 1 88 88 PRO HB2 H 1 2.486 0.001 . 2 . . . . . 88 PRO HB2 . 52557 1
981 . 1 . 1 88 88 PRO HB3 H 1 1.955 0.007 . 2 . . . . . 88 PRO HB3 . 52557 1
982 . 1 . 1 88 88 PRO HG2 H 1 2.308 0.010 . 2 . . . . . 88 PRO HG2 . 52557 1
983 . 1 . 1 88 88 PRO HG3 H 1 1.864 0.001 . 2 . . . . . 88 PRO HG3 . 52557 1
984 . 1 . 1 88 88 PRO HD2 H 1 3.566 0.001 . 1 . . . . . 88 PRO HD2 . 52557 1
985 . 1 . 1 88 88 PRO HD3 H 1 3.566 0.001 . 1 . . . . . 88 PRO HD3 . 52557 1
986 . 1 . 1 88 88 PRO CA C 13 66.408 0.003 . 1 . . . . . 88 PRO CA . 52557 1
987 . 1 . 1 88 88 PRO CB C 13 31.938 0.017 . 1 . . . . . 88 PRO CB . 52557 1
988 . 1 . 1 88 88 PRO CG C 13 28.460 0.000 . 1 . . . . . 88 PRO CG . 52557 1
989 . 1 . 1 88 88 PRO CD C 13 50.340 0.000 . 1 . . . . . 88 PRO CD . 52557 1
990 . 1 . 1 89 89 GLU H H 1 9.380 0.003 . 1 . . . . . 89 GLU H . 52557 1
991 . 1 . 1 89 89 GLU HA H 1 4.325 0.004 . 1 . . . . . 89 GLU HA . 52557 1
992 . 1 . 1 89 89 GLU HB2 H 1 2.052 0.003 . 2 . . . . . 89 GLU HB2 . 52557 1
993 . 1 . 1 89 89 GLU HB3 H 1 2.110 0.000 . 2 . . . . . 89 GLU HB3 . 52557 1
994 . 1 . 1 89 89 GLU HG2 H 1 2.241 0.000 . 2 . . . . . 89 GLU HG2 . 52557 1
995 . 1 . 1 89 89 GLU HG3 H 1 2.175 0.000 . 2 . . . . . 89 GLU HG3 . 52557 1
996 . 1 . 1 89 89 GLU C C 13 178.813 0.000 . 1 . . . . . 89 GLU C . 52557 1
997 . 1 . 1 89 89 GLU CA C 13 58.464 0.152 . 1 . . . . . 89 GLU CA . 52557 1
998 . 1 . 1 89 89 GLU CB C 13 28.045 0.041 . 1 . . . . . 89 GLU CB . 52557 1
999 . 1 . 1 89 89 GLU CG C 13 36.217 0.009 . 1 . . . . . 89 GLU CG . 52557 1
1000 . 1 . 1 89 89 GLU N N 15 115.345 0.046 . 1 . . . . . 89 GLU N . 52557 1
1001 . 1 . 1 90 90 ASP H H 1 8.667 0.003 . 1 . . . . . 90 ASP H . 52557 1
1002 . 1 . 1 90 90 ASP HA H 1 4.735 0.021 . 1 . . . . . 90 ASP HA . 52557 1
1003 . 1 . 1 90 90 ASP HB2 H 1 2.783 0.004 . 2 . . . . . 90 ASP HB2 . 52557 1
1004 . 1 . 1 90 90 ASP HB3 H 1 3.049 0.011 . 2 . . . . . 90 ASP HB3 . 52557 1
1005 . 1 . 1 90 90 ASP C C 13 175.981 0.000 . 1 . . . . . 90 ASP C . 52557 1
1006 . 1 . 1 90 90 ASP CA C 13 55.037 0.072 . 1 . . . . . 90 ASP CA . 52557 1
1007 . 1 . 1 90 90 ASP CB C 13 42.249 0.028 . 1 . . . . . 90 ASP CB . 52557 1
1008 . 1 . 1 90 90 ASP N N 15 118.571 0.016 . 1 . . . . . 90 ASP N . 52557 1
1009 . 1 . 1 91 91 THR H H 1 7.918 0.003 . 1 . . . . . 91 THR H . 52557 1
1010 . 1 . 1 91 91 THR HA H 1 4.392 0.001 . 1 . . . . . 91 THR HA . 52557 1
1011 . 1 . 1 91 91 THR HB H 1 4.351 0.002 . 1 . . . . . 91 THR HB . 52557 1
1012 . 1 . 1 91 91 THR HG21 H 1 1.484 0.006 . 1 . . . . . 91 THR HG21 . 52557 1
1013 . 1 . 1 91 91 THR HG22 H 1 1.484 0.006 . 1 . . . . . 91 THR HG22 . 52557 1
1014 . 1 . 1 91 91 THR HG23 H 1 1.484 0.006 . 1 . . . . . 91 THR HG23 . 52557 1
1015 . 1 . 1 91 91 THR C C 13 176.823 0.000 . 1 . . . . . 91 THR C . 52557 1
1016 . 1 . 1 91 91 THR CA C 13 64.892 0.009 . 1 . . . . . 91 THR CA . 52557 1
1017 . 1 . 1 91 91 THR CB C 13 69.871 0.046 . 1 . . . . . 91 THR CB . 52557 1
1018 . 1 . 1 91 91 THR CG2 C 13 21.561 0.000 . 1 . . . . . 91 THR CG2 . 52557 1
1019 . 1 . 1 91 91 THR N N 15 120.670 0.034 . 1 . . . . . 91 THR N . 52557 1
1020 . 1 . 1 92 92 ALA H H 1 9.210 0.003 . 1 . . . . . 92 ALA H . 52557 1
1021 . 1 . 1 92 92 ALA HA H 1 4.472 0.001 . 1 . . . . . 92 ALA HA . 52557 1
1022 . 1 . 1 92 92 ALA HB1 H 1 1.121 0.009 . 1 . . . . . 92 ALA HB1 . 52557 1
1023 . 1 . 1 92 92 ALA HB2 H 1 1.121 0.009 . 1 . . . . . 92 ALA HB2 . 52557 1
1024 . 1 . 1 92 92 ALA HB3 H 1 1.121 0.009 . 1 . . . . . 92 ALA HB3 . 52557 1
1025 . 1 . 1 92 92 ALA C C 13 174.395 0.000 . 1 . . . . . 92 ALA C . 52557 1
1026 . 1 . 1 92 92 ALA CA C 13 52.870 0.121 . 1 . . . . . 92 ALA CA . 52557 1
1027 . 1 . 1 92 92 ALA CB C 13 21.328 0.028 . 1 . . . . . 92 ALA CB . 52557 1
1028 . 1 . 1 92 92 ALA N N 15 128.408 0.046 . 1 . . . . . 92 ALA N . 52557 1
1029 . 1 . 1 93 93 MET H H 1 7.688 0.003 . 1 . . . . . 93 MET H . 52557 1
1030 . 1 . 1 93 93 MET HA H 1 4.847 0.016 . 1 . . . . . 93 MET HA . 52557 1
1031 . 1 . 1 93 93 MET HB2 H 1 1.729 0.002 . 2 . . . . . 93 MET HB2 . 52557 1
1032 . 1 . 1 93 93 MET HB3 H 1 2.024 0.006 . 2 . . . . . 93 MET HB3 . 52557 1
1033 . 1 . 1 93 93 MET HG2 H 1 2.537 0.003 . 1 . . . . . 93 MET HG2 . 52557 1
1034 . 1 . 1 93 93 MET HG3 H 1 2.537 0.003 . 1 . . . . . 93 MET HG3 . 52557 1
1035 . 1 . 1 93 93 MET C C 13 175.623 0.000 . 1 . . . . . 93 MET C . 52557 1
1036 . 1 . 1 93 93 MET CA C 13 54.236 0.002 . 1 . . . . . 93 MET CA . 52557 1
1037 . 1 . 1 93 93 MET CB C 13 33.082 0.055 . 1 . . . . . 93 MET CB . 52557 1
1038 . 1 . 1 93 93 MET CG C 13 31.971 0.000 . 1 . . . . . 93 MET CG . 52557 1
1039 . 1 . 1 93 93 MET N N 15 117.863 0.021 . 1 . . . . . 93 MET N . 52557 1
1040 . 1 . 1 94 94 TYR H H 1 9.094 0.003 . 1 . . . . . 94 TYR H . 52557 1
1041 . 1 . 1 94 94 TYR HA H 1 4.800 0.005 . 1 . . . . . 94 TYR HA . 52557 1
1042 . 1 . 1 94 94 TYR HB2 H 1 2.676 0.010 . 2 . . . . . 94 TYR HB2 . 52557 1
1043 . 1 . 1 94 94 TYR HB3 H 1 2.986 0.010 . 2 . . . . . 94 TYR HB3 . 52557 1
1044 . 1 . 1 94 94 TYR C C 13 175.462 0.000 . 1 . . . . . 94 TYR C . 52557 1
1045 . 1 . 1 94 94 TYR CA C 13 58.346 0.075 . 1 . . . . . 94 TYR CA . 52557 1
1046 . 1 . 1 94 94 TYR CB C 13 41.235 0.008 . 1 . . . . . 94 TYR CB . 52557 1
1047 . 1 . 1 94 94 TYR N N 15 125.113 0.018 . 1 . . . . . 94 TYR N . 52557 1
1048 . 1 . 1 95 95 TYR H H 1 9.405 0.004 . 1 . . . . . 95 TYR H . 52557 1
1049 . 1 . 1 95 95 TYR HA H 1 5.118 0.002 . 1 . . . . . 95 TYR HA . 52557 1
1050 . 1 . 1 95 95 TYR HB2 H 1 2.821 0.011 . 2 . . . . . 95 TYR HB2 . 52557 1
1051 . 1 . 1 95 95 TYR HB3 H 1 2.450 0.005 . 2 . . . . . 95 TYR HB3 . 52557 1
1052 . 1 . 1 95 95 TYR HD1 H 1 6.811 0.018 . 1 . . . . . 95 TYR HD1 . 52557 1
1053 . 1 . 1 95 95 TYR HD2 H 1 6.811 0.018 . 1 . . . . . 95 TYR HD2 . 52557 1
1054 . 1 . 1 95 95 TYR HE1 H 1 6.560 0.016 . 1 . . . . . 95 TYR HE1 . 52557 1
1055 . 1 . 1 95 95 TYR HE2 H 1 6.560 0.016 . 1 . . . . . 95 TYR HE2 . 52557 1
1056 . 1 . 1 95 95 TYR C C 13 174.508 0.000 . 1 . . . . . 95 TYR C . 52557 1
1057 . 1 . 1 95 95 TYR CA C 13 55.292 0.066 . 1 . . . . . 95 TYR CA . 52557 1
1058 . 1 . 1 95 95 TYR CB C 13 41.529 0.086 . 1 . . . . . 95 TYR CB . 52557 1
1059 . 1 . 1 95 95 TYR CD1 C 13 133.959 0.000 . 1 . . . . . 95 TYR CD1 . 52557 1
1060 . 1 . 1 95 95 TYR CD2 C 13 133.959 0.000 . 1 . . . . . 95 TYR CD2 . 52557 1
1061 . 1 . 1 95 95 TYR CE1 C 13 118.336 0.000 . 1 . . . . . 95 TYR CE1 . 52557 1
1062 . 1 . 1 95 95 TYR CE2 C 13 118.336 0.000 . 1 . . . . . 95 TYR CE2 . 52557 1
1063 . 1 . 1 95 95 TYR N N 15 117.260 0.045 . 1 . . . . . 95 TYR N . 52557 1
1064 . 1 . 1 96 96 CYS H H 1 11.719 0.009 . 1 . . . . . 96 CYS H . 52557 1
1065 . 1 . 1 96 96 CYS HA H 1 4.632 0.013 . 1 . . . . . 96 CYS HA . 52557 1
1066 . 1 . 1 96 96 CYS HB2 H 1 2.126 0.010 . 1 . . . . . 96 CYS HB2 . 52557 1
1067 . 1 . 1 96 96 CYS HB3 H 1 2.126 0.010 . 1 . . . . . 96 CYS HB3 . 52557 1
1068 . 1 . 1 96 96 CYS C C 13 174.390 0.000 . 1 . . . . . 96 CYS C . 52557 1
1069 . 1 . 1 96 96 CYS CA C 13 52.802 0.132 . 1 . . . . . 96 CYS CA . 52557 1
1070 . 1 . 1 96 96 CYS CB C 13 44.082 0.039 . 1 . . . . . 96 CYS CB . 52557 1
1071 . 1 . 1 96 96 CYS N N 15 126.592 0.041 . 1 . . . . . 96 CYS N . 52557 1
1072 . 1 . 1 97 97 ALA H H 1 8.229 0.004 . 1 . . . . . 97 ALA H . 52557 1
1073 . 1 . 1 97 97 ALA HA H 1 5.301 0.000 . 1 . . . . . 97 ALA HA . 52557 1
1074 . 1 . 1 97 97 ALA HB1 H 1 1.000 0.002 . 1 . . . . . 97 ALA HB1 . 52557 1
1075 . 1 . 1 97 97 ALA HB2 H 1 1.000 0.002 . 1 . . . . . 97 ALA HB2 . 52557 1
1076 . 1 . 1 97 97 ALA HB3 H 1 1.000 0.002 . 1 . . . . . 97 ALA HB3 . 52557 1
1077 . 1 . 1 97 97 ALA C C 13 172.643 0.000 . 1 . . . . . 97 ALA C . 52557 1
1078 . 1 . 1 97 97 ALA CA C 13 50.558 0.025 . 1 . . . . . 97 ALA CA . 52557 1
1079 . 1 . 1 97 97 ALA CB C 13 23.263 0.035 . 1 . . . . . 97 ALA CB . 52557 1
1080 . 1 . 1 97 97 ALA N N 15 120.855 0.062 . 1 . . . . . 97 ALA N . 52557 1
1081 . 1 . 1 98 98 LYS H H 1 7.882 0.004 . 1 . . . . . 98 LYS H . 52557 1
1082 . 1 . 1 98 98 LYS HA H 1 5.042 0.002 . 1 . . . . . 98 LYS HA . 52557 1
1083 . 1 . 1 98 98 LYS HB2 H 1 1.314 0.003 . 1 . . . . . 98 LYS HB2 . 52557 1
1084 . 1 . 1 98 98 LYS HB3 H 1 1.314 0.003 . 1 . . . . . 98 LYS HB3 . 52557 1
1085 . 1 . 1 98 98 LYS HG2 H 1 0.917 0.000 . 2 . . . . . 98 LYS HG2 . 52557 1
1086 . 1 . 1 98 98 LYS HG3 H 1 0.867 0.019 . 2 . . . . . 98 LYS HG3 . 52557 1
1087 . 1 . 1 98 98 LYS HD2 H 1 0.356 0.000 . 2 . . . . . 98 LYS HD2 . 52557 1
1088 . 1 . 1 98 98 LYS HD3 H 1 0.792 0.021 . 2 . . . . . 98 LYS HD3 . 52557 1
1089 . 1 . 1 98 98 LYS HE2 H 1 2.213 0.019 . 1 . . . . . 98 LYS HE2 . 52557 1
1090 . 1 . 1 98 98 LYS HE3 H 1 2.213 0.019 . 1 . . . . . 98 LYS HE3 . 52557 1
1091 . 1 . 1 98 98 LYS C C 13 176.386 0.000 . 1 . . . . . 98 LYS C . 52557 1
1092 . 1 . 1 98 98 LYS CA C 13 54.839 0.110 . 1 . . . . . 98 LYS CA . 52557 1
1093 . 1 . 1 98 98 LYS CB C 13 36.207 0.032 . 1 . . . . . 98 LYS CB . 52557 1
1094 . 1 . 1 98 98 LYS CG C 13 23.282 0.000 . 1 . . . . . 98 LYS CG . 52557 1
1095 . 1 . 1 98 98 LYS CD C 13 29.290 0.000 . 1 . . . . . 98 LYS CD . 52557 1
1096 . 1 . 1 98 98 LYS CE C 13 41.197 0.000 . 1 . . . . . 98 LYS CE . 52557 1
1097 . 1 . 1 98 98 LYS N N 15 123.741 0.019 . 1 . . . . . 98 LYS N . 52557 1
1098 . 1 . 1 99 99 GLY H H 1 8.262 0.004 . 1 . . . . . 99 GLY H . 52557 1
1099 . 1 . 1 99 99 GLY HA2 H 1 3.695 0.001 . 2 . . . . . 99 GLY HA2 . 52557 1
1100 . 1 . 1 99 99 GLY HA3 H 1 4.108 0.002 . 2 . . . . . 99 GLY HA3 . 52557 1
1101 . 1 . 1 99 99 GLY C C 13 175.199 0.000 . 1 . . . . . 99 GLY C . 52557 1
1102 . 1 . 1 99 99 GLY CA C 13 44.694 0.015 . 1 . . . . . 99 GLY CA . 52557 1
1103 . 1 . 1 99 99 GLY N N 15 111.263 0.041 . 1 . . . . . 99 GLY N . 52557 1
1104 . 1 . 1 100 100 TRP H H 1 8.189 0.003 . 1 . . . . . 100 TRP H . 52557 1
1105 . 1 . 1 100 100 TRP HA H 1 4.362 0.004 . 1 . . . . . 100 TRP HA . 52557 1
1106 . 1 . 1 100 100 TRP HB2 H 1 2.650 0.001 . 2 . . . . . 100 TRP HB2 . 52557 1
1107 . 1 . 1 100 100 TRP HB3 H 1 2.854 0.011 . 2 . . . . . 100 TRP HB3 . 52557 1
1108 . 1 . 1 100 100 TRP HD1 H 1 6.544 0.011 . 1 . . . . . 100 TRP HD1 . 52557 1
1109 . 1 . 1 100 100 TRP HE1 H 1 9.260 0.003 . 1 . . . . . 100 TRP HE1 . 52557 1
1110 . 1 . 1 100 100 TRP HZ2 H 1 7.074 0.011 . 1 . . . . . 100 TRP HZ2 . 52557 1
1111 . 1 . 1 100 100 TRP HH2 H 1 6.806 0.006 . 1 . . . . . 100 TRP HH2 . 52557 1
1112 . 1 . 1 100 100 TRP C C 13 171.860 0.000 . 1 . . . . . 100 TRP C . 52557 1
1113 . 1 . 1 100 100 TRP CA C 13 56.566 0.161 . 1 . . . . . 100 TRP CA . 52557 1
1114 . 1 . 1 100 100 TRP CB C 13 28.603 0.028 . 1 . . . . . 100 TRP CB . 52557 1
1115 . 1 . 1 100 100 TRP CD1 C 13 126.108 0.000 . 1 . . . . . 100 TRP CD1 . 52557 1
1116 . 1 . 1 100 100 TRP CZ2 C 13 114.278 0.000 . 1 . . . . . 100 TRP CZ2 . 52557 1
1117 . 1 . 1 100 100 TRP N N 15 120.798 0.043 . 1 . . . . . 100 TRP N . 52557 1
1118 . 1 . 1 100 100 TRP NE1 N 15 127.896 0.019 . 1 . . . . . 100 TRP NE1 . 52557 1
1119 . 1 . 1 101 101 VAL H H 1 8.135 0.006 . 1 . . . . . 101 VAL H . 52557 1
1120 . 1 . 1 101 101 VAL HA H 1 3.833 0.003 . 1 . . . . . 101 VAL HA . 52557 1
1121 . 1 . 1 101 101 VAL HB H 1 1.480 0.016 . 1 . . . . . 101 VAL HB . 52557 1
1122 . 1 . 1 101 101 VAL HG11 H 1 0.552 0.022 . 2 . . . . . 101 VAL HG11 . 52557 1
1123 . 1 . 1 101 101 VAL HG12 H 1 0.552 0.022 . 2 . . . . . 101 VAL HG12 . 52557 1
1124 . 1 . 1 101 101 VAL HG13 H 1 0.552 0.022 . 2 . . . . . 101 VAL HG13 . 52557 1
1125 . 1 . 1 101 101 VAL HG21 H 1 0.574 0.007 . 2 . . . . . 101 VAL HG21 . 52557 1
1126 . 1 . 1 101 101 VAL HG22 H 1 0.574 0.007 . 2 . . . . . 101 VAL HG22 . 52557 1
1127 . 1 . 1 101 101 VAL HG23 H 1 0.574 0.007 . 2 . . . . . 101 VAL HG23 . 52557 1
1128 . 1 . 1 101 101 VAL C C 13 176.433 0.000 . 1 . . . . . 101 VAL C . 52557 1
1129 . 1 . 1 101 101 VAL CA C 13 61.731 0.071 . 1 . . . . . 101 VAL CA . 52557 1
1130 . 1 . 1 101 101 VAL CB C 13 33.210 0.028 . 1 . . . . . 101 VAL CB . 52557 1
1131 . 1 . 1 101 101 VAL CG1 C 13 21.586 0.000 . 2 . . . . . 101 VAL CG1 . 52557 1
1132 . 1 . 1 101 101 VAL CG2 C 13 21.924 0.000 . 2 . . . . . 101 VAL CG2 . 52557 1
1133 . 1 . 1 101 101 VAL N N 15 127.347 0.022 . 1 . . . . . 101 VAL N . 52557 1
1134 . 1 . 1 102 102 ARG H H 1 8.570 0.006 . 1 . . . . . 102 ARG H . 52557 1
1135 . 1 . 1 102 102 ARG HA H 1 4.038 0.005 . 1 . . . . . 102 ARG HA . 52557 1
1136 . 1 . 1 102 102 ARG HB2 H 1 1.519 0.004 . 2 . . . . . 102 ARG HB2 . 52557 1
1137 . 1 . 1 102 102 ARG HB3 H 1 1.368 0.006 . 2 . . . . . 102 ARG HB3 . 52557 1
1138 . 1 . 1 102 102 ARG HG2 H 1 1.259 0.016 . 2 . . . . . 102 ARG HG2 . 52557 1
1139 . 1 . 1 102 102 ARG HG3 H 1 1.181 0.004 . 2 . . . . . 102 ARG HG3 . 52557 1
1140 . 1 . 1 102 102 ARG HD2 H 1 2.877 0.008 . 1 . . . . . 102 ARG HD2 . 52557 1
1141 . 1 . 1 102 102 ARG HD3 H 1 2.877 0.008 . 1 . . . . . 102 ARG HD3 . 52557 1
1142 . 1 . 1 102 102 ARG C C 13 174.089 0.000 . 1 . . . . . 102 ARG C . 52557 1
1143 . 1 . 1 102 102 ARG CA C 13 54.789 0.099 . 1 . . . . . 102 ARG CA . 52557 1
1144 . 1 . 1 102 102 ARG CB C 13 30.993 0.042 . 1 . . . . . 102 ARG CB . 52557 1
1145 . 1 . 1 102 102 ARG CG C 13 26.669 0.001 . 1 . . . . . 102 ARG CG . 52557 1
1146 . 1 . 1 102 102 ARG CD C 13 43.205 0.000 . 1 . . . . . 102 ARG CD . 52557 1
1147 . 1 . 1 102 102 ARG N N 15 129.815 0.032 . 1 . . . . . 102 ARG N . 52557 1
1148 . 1 . 1 103 103 LEU H H 1 8.229 0.003 . 1 . . . . . 103 LEU H . 52557 1
1149 . 1 . 1 103 103 LEU HA H 1 4.130 0.003 . 1 . . . . . 103 LEU HA . 52557 1
1150 . 1 . 1 103 103 LEU HB2 H 1 1.582 0.014 . 2 . . . . . 103 LEU HB2 . 52557 1
1151 . 1 . 1 103 103 LEU HB3 H 1 1.362 0.001 . 2 . . . . . 103 LEU HB3 . 52557 1
1152 . 1 . 1 103 103 LEU HG H 1 1.491 0.000 . 1 . . . . . 103 LEU HG . 52557 1
1153 . 1 . 1 103 103 LEU HD11 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD11 . 52557 1
1154 . 1 . 1 103 103 LEU HD12 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD12 . 52557 1
1155 . 1 . 1 103 103 LEU HD13 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD13 . 52557 1
1156 . 1 . 1 103 103 LEU HD21 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD21 . 52557 1
1157 . 1 . 1 103 103 LEU HD22 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD22 . 52557 1
1158 . 1 . 1 103 103 LEU HD23 H 1 0.770 0.013 . 1 . . . . . 103 LEU HD23 . 52557 1
1159 . 1 . 1 103 103 LEU C C 13 174.037 0.000 . 1 . . . . . 103 LEU C . 52557 1
1160 . 1 . 1 103 103 LEU CA C 13 53.033 0.070 . 1 . . . . . 103 LEU CA . 52557 1
1161 . 1 . 1 103 103 LEU CB C 13 40.599 0.002 . 1 . . . . . 103 LEU CB . 52557 1
1162 . 1 . 1 103 103 LEU CG C 13 26.804 0.000 . 1 . . . . . 103 LEU CG . 52557 1
1163 . 1 . 1 103 103 LEU CD1 C 13 23.288 0.000 . 1 . . . . . 103 LEU CD1 . 52557 1
1164 . 1 . 1 103 103 LEU CD2 C 13 23.288 0.000 . 1 . . . . . 103 LEU CD2 . 52557 1
1165 . 1 . 1 103 103 LEU N N 15 122.655 0.047 . 1 . . . . . 103 LEU N . 52557 1
1166 . 1 . 1 106 106 PRO HA H 1 4.357 0.005 . 1 . . . . . 106 PRO HA . 52557 1
1167 . 1 . 1 106 106 PRO HB2 H 1 2.311 0.010 . 2 . . . . . 106 PRO HB2 . 52557 1
1168 . 1 . 1 106 106 PRO HB3 H 1 1.959 0.003 . 2 . . . . . 106 PRO HB3 . 52557 1
1169 . 1 . 1 106 106 PRO HG2 H 1 1.951 0.000 . 1 . . . . . 106 PRO HG2 . 52557 1
1170 . 1 . 1 106 106 PRO HG3 H 1 1.951 0.000 . 1 . . . . . 106 PRO HG3 . 52557 1
1171 . 1 . 1 106 106 PRO HD2 H 1 3.974 0.001 . 2 . . . . . 106 PRO HD2 . 52557 1
1172 . 1 . 1 106 106 PRO HD3 H 1 3.574 0.003 . 2 . . . . . 106 PRO HD3 . 52557 1
1173 . 1 . 1 106 106 PRO CA C 13 63.845 0.001 . 1 . . . . . 106 PRO CA . 52557 1
1174 . 1 . 1 106 106 PRO CB C 13 32.305 0.064 . 1 . . . . . 106 PRO CB . 52557 1
1175 . 1 . 1 106 106 PRO CG C 13 26.742 0.000 . 1 . . . . . 106 PRO CG . 52557 1
1176 . 1 . 1 106 106 PRO CD C 13 50.764 0.001 . 1 . . . . . 106 PRO CD . 52557 1
1177 . 1 . 1 107 107 ASP H H 1 8.169 0.003 . 1 . . . . . 107 ASP H . 52557 1
1178 . 1 . 1 107 107 ASP HA H 1 4.749 0.001 . 1 . . . . . 107 ASP HA . 52557 1
1179 . 1 . 1 107 107 ASP HB2 H 1 2.450 0.001 . 2 . . . . . 107 ASP HB2 . 52557 1
1180 . 1 . 1 107 107 ASP HB3 H 1 2.827 0.012 . 2 . . . . . 107 ASP HB3 . 52557 1
1181 . 1 . 1 107 107 ASP C C 13 176.652 0.000 . 1 . . . . . 107 ASP C . 52557 1
1182 . 1 . 1 107 107 ASP CA C 13 53.514 0.020 . 1 . . . . . 107 ASP CA . 52557 1
1183 . 1 . 1 107 107 ASP CB C 13 41.234 0.029 . 1 . . . . . 107 ASP CB . 52557 1
1184 . 1 . 1 107 107 ASP N N 15 117.784 0.055 . 1 . . . . . 107 ASP N . 52557 1
1185 . 1 . 1 108 108 LEU H H 1 6.855 0.003 . 1 . . . . . 108 LEU H . 52557 1
1186 . 1 . 1 108 108 LEU HA H 1 3.838 0.001 . 1 . . . . . 108 LEU HA . 52557 1
1187 . 1 . 1 108 108 LEU HB2 H 1 1.515 0.003 . 1 . . . . . 108 LEU HB2 . 52557 1
1188 . 1 . 1 108 108 LEU HB3 H 1 1.515 0.003 . 1 . . . . . 108 LEU HB3 . 52557 1
1189 . 1 . 1 108 108 LEU C C 13 175.278 0.000 . 1 . . . . . 108 LEU C . 52557 1
1190 . 1 . 1 108 108 LEU CA C 13 55.991 0.028 . 1 . . . . . 108 LEU CA . 52557 1
1191 . 1 . 1 108 108 LEU CB C 13 43.126 0.008 . 1 . . . . . 108 LEU CB . 52557 1
1192 . 1 . 1 108 108 LEU N N 15 122.477 0.030 . 1 . . . . . 108 LEU N . 52557 1
1193 . 1 . 1 109 109 VAL H H 1 9.087 0.004 . 1 . . . . . 109 VAL H . 52557 1
1194 . 1 . 1 109 109 VAL HA H 1 3.972 0.011 . 1 . . . . . 109 VAL HA . 52557 1
1195 . 1 . 1 109 109 VAL HB H 1 1.930 0.019 . 1 . . . . . 109 VAL HB . 52557 1
1196 . 1 . 1 109 109 VAL HG11 H 1 0.772 0.020 . 2 . . . . . 109 VAL HG11 . 52557 1
1197 . 1 . 1 109 109 VAL HG12 H 1 0.772 0.020 . 2 . . . . . 109 VAL HG12 . 52557 1
1198 . 1 . 1 109 109 VAL HG13 H 1 0.772 0.020 . 2 . . . . . 109 VAL HG13 . 52557 1
1199 . 1 . 1 109 109 VAL HG21 H 1 0.945 0.005 . 2 . . . . . 109 VAL HG21 . 52557 1
1200 . 1 . 1 109 109 VAL HG22 H 1 0.945 0.005 . 2 . . . . . 109 VAL HG22 . 52557 1
1201 . 1 . 1 109 109 VAL HG23 H 1 0.945 0.005 . 2 . . . . . 109 VAL HG23 . 52557 1
1202 . 1 . 1 109 109 VAL C C 13 176.125 0.000 . 1 . . . . . 109 VAL C . 52557 1
1203 . 1 . 1 109 109 VAL CA C 13 63.279 0.008 . 1 . . . . . 109 VAL CA . 52557 1
1204 . 1 . 1 109 109 VAL CB C 13 31.159 0.013 . 1 . . . . . 109 VAL CB . 52557 1
1205 . 1 . 1 109 109 VAL CG1 C 13 21.242 0.000 . 2 . . . . . 109 VAL CG1 . 52557 1
1206 . 1 . 1 109 109 VAL CG2 C 13 21.623 0.000 . 2 . . . . . 109 VAL CG2 . 52557 1
1207 . 1 . 1 109 109 VAL N N 15 131.216 0.051 . 1 . . . . . 109 VAL N . 52557 1
1208 . 1 . 1 110 110 ARG H H 1 8.015 0.005 . 1 . . . . . 110 ARG H . 52557 1
1209 . 1 . 1 110 110 ARG HA H 1 5.653 0.001 . 1 . . . . . 110 ARG HA . 52557 1
1210 . 1 . 1 110 110 ARG HB2 H 1 1.470 0.012 . 2 . . . . . 110 ARG HB2 . 52557 1
1211 . 1 . 1 110 110 ARG HB3 H 1 1.608 0.006 . 2 . . . . . 110 ARG HB3 . 52557 1
1212 . 1 . 1 110 110 ARG HG2 H 1 1.294 0.006 . 1 . . . . . 110 ARG HG2 . 52557 1
1213 . 1 . 1 110 110 ARG HG3 H 1 1.294 0.006 . 1 . . . . . 110 ARG HG3 . 52557 1
1214 . 1 . 1 110 110 ARG C C 13 173.386 0.000 . 1 . . . . . 110 ARG C . 52557 1
1215 . 1 . 1 110 110 ARG CA C 13 53.288 0.078 . 1 . . . . . 110 ARG CA . 52557 1
1216 . 1 . 1 110 110 ARG CB C 13 34.193 0.065 . 1 . . . . . 110 ARG CB . 52557 1
1217 . 1 . 1 110 110 ARG CG C 13 24.986 0.000 . 1 . . . . . 110 ARG CG . 52557 1
1218 . 1 . 1 110 110 ARG N N 15 122.356 0.134 . 1 . . . . . 110 ARG N . 52557 1
1219 . 1 . 1 111 111 GLY H H 1 7.861 0.006 . 1 . . . . . 111 GLY H . 52557 1
1220 . 1 . 1 111 111 GLY HA2 H 1 4.498 0.000 . 2 . . . . . 111 GLY HA2 . 52557 1
1221 . 1 . 1 111 111 GLY HA3 H 1 4.995 0.011 . 2 . . . . . 111 GLY HA3 . 52557 1
1222 . 1 . 1 111 111 GLY C C 13 176.731 0.000 . 1 . . . . . 111 GLY C . 52557 1
1223 . 1 . 1 111 111 GLY CA C 13 46.220 0.020 . 1 . . . . . 111 GLY CA . 52557 1
1224 . 1 . 1 111 111 GLY N N 15 109.036 0.039 . 1 . . . . . 111 GLY N . 52557 1
1225 . 1 . 1 112 112 GLN H H 1 8.518 0.004 . 1 . . . . . 112 GLN H . 52557 1
1226 . 1 . 1 112 112 GLN HA H 1 4.418 0.010 . 1 . . . . . 112 GLN HA . 52557 1
1227 . 1 . 1 112 112 GLN HB2 H 1 2.407 0.009 . 2 . . . . . 112 GLN HB2 . 52557 1
1228 . 1 . 1 112 112 GLN HB3 H 1 2.278 0.002 . 2 . . . . . 112 GLN HB3 . 52557 1
1229 . 1 . 1 112 112 GLN HG2 H 1 2.686 0.004 . 1 . . . . . 112 GLN HG2 . 52557 1
1230 . 1 . 1 112 112 GLN HG3 H 1 2.686 0.004 . 1 . . . . . 112 GLN HG3 . 52557 1
1231 . 1 . 1 112 112 GLN HE21 H 1 7.737 0.002 . 1 . . . . . 112 GLN HE21 . 52557 1
1232 . 1 . 1 112 112 GLN HE22 H 1 7.058 0.004 . 1 . . . . . 112 GLN HE22 . 52557 1
1233 . 1 . 1 112 112 GLN C C 13 174.282 0.000 . 1 . . . . . 112 GLN C . 52557 1
1234 . 1 . 1 112 112 GLN CA C 13 57.210 0.042 . 1 . . . . . 112 GLN CA . 52557 1
1235 . 1 . 1 112 112 GLN CB C 13 29.430 0.024 . 1 . . . . . 112 GLN CB . 52557 1
1236 . 1 . 1 112 112 GLN CG C 13 34.448 0.000 . 1 . . . . . 112 GLN CG . 52557 1
1237 . 1 . 1 112 112 GLN N N 15 116.717 0.055 . 1 . . . . . 112 GLN N . 52557 1
1238 . 1 . 1 112 112 GLN NE2 N 15 113.276 0.062 . 1 . . . . . 112 GLN NE2 . 52557 1
1239 . 1 . 1 113 113 GLY H H 1 9.692 0.003 . 1 . . . . . 113 GLY H . 52557 1
1240 . 1 . 1 113 113 GLY HA2 H 1 3.598 0.004 . 2 . . . . . 113 GLY HA2 . 52557 1
1241 . 1 . 1 113 113 GLY HA3 H 1 3.765 0.008 . 2 . . . . . 113 GLY HA3 . 52557 1
1242 . 1 . 1 113 113 GLY C C 13 178.053 0.000 . 1 . . . . . 113 GLY C . 52557 1
1243 . 1 . 1 113 113 GLY CA C 13 45.033 0.014 . 1 . . . . . 113 GLY CA . 52557 1
1244 . 1 . 1 113 113 GLY N N 15 110.773 0.025 . 1 . . . . . 113 GLY N . 52557 1
1245 . 1 . 1 114 114 THR H H 1 8.637 0.004 . 1 . . . . . 114 THR H . 52557 1
1246 . 1 . 1 114 114 THR HA H 1 4.704 0.007 . 1 . . . . . 114 THR HA . 52557 1
1247 . 1 . 1 114 114 THR HB H 1 3.733 0.004 . 1 . . . . . 114 THR HB . 52557 1
1248 . 1 . 1 114 114 THR HG21 H 1 1.099 0.010 . 1 . . . . . 114 THR HG21 . 52557 1
1249 . 1 . 1 114 114 THR HG22 H 1 1.099 0.010 . 1 . . . . . 114 THR HG22 . 52557 1
1250 . 1 . 1 114 114 THR HG23 H 1 1.099 0.010 . 1 . . . . . 114 THR HG23 . 52557 1
1251 . 1 . 1 114 114 THR C C 13 173.585 0.000 . 1 . . . . . 114 THR C . 52557 1
1252 . 1 . 1 114 114 THR CA C 13 60.306 0.137 . 1 . . . . . 114 THR CA . 52557 1
1253 . 1 . 1 114 114 THR CB C 13 70.848 0.034 . 1 . . . . . 114 THR CB . 52557 1
1254 . 1 . 1 114 114 THR CG2 C 13 20.097 0.000 . 1 . . . . . 114 THR CG2 . 52557 1
1255 . 1 . 1 114 114 THR N N 15 115.662 0.008 . 1 . . . . . 114 THR N . 52557 1
1256 . 1 . 1 115 115 GLN H H 1 8.562 0.006 . 1 . . . . . 115 GLN H . 52557 1
1257 . 1 . 1 115 115 GLN HA H 1 4.561 0.012 . 1 . . . . . 115 GLN HA . 52557 1
1258 . 1 . 1 115 115 GLN HB2 H 1 1.964 0.005 . 2 . . . . . 115 GLN HB2 . 52557 1
1259 . 1 . 1 115 115 GLN HB3 H 1 2.157 0.014 . 2 . . . . . 115 GLN HB3 . 52557 1
1260 . 1 . 1 115 115 GLN HG2 H 1 1.987 0.011 . 2 . . . . . 115 GLN HG2 . 52557 1
1261 . 1 . 1 115 115 GLN HG3 H 1 2.256 0.006 . 2 . . . . . 115 GLN HG3 . 52557 1
1262 . 1 . 1 115 115 GLN HE21 H 1 6.876 0.004 . 1 . . . . . 115 GLN HE21 . 52557 1
1263 . 1 . 1 115 115 GLN HE22 H 1 6.545 0.005 . 1 . . . . . 115 GLN HE22 . 52557 1
1264 . 1 . 1 115 115 GLN C C 13 171.551 0.000 . 1 . . . . . 115 GLN C . 52557 1
1265 . 1 . 1 115 115 GLN CA C 13 56.707 0.128 . 1 . . . . . 115 GLN CA . 52557 1
1266 . 1 . 1 115 115 GLN CB C 13 29.624 0.004 . 1 . . . . . 115 GLN CB . 52557 1
1267 . 1 . 1 115 115 GLN CG C 13 33.686 0.000 . 1 . . . . . 115 GLN CG . 52557 1
1268 . 1 . 1 115 115 GLN N N 15 131.821 0.036 . 1 . . . . . 115 GLN N . 52557 1
1269 . 1 . 1 115 115 GLN NE2 N 15 111.541 0.009 . 1 . . . . . 115 GLN NE2 . 52557 1
1270 . 1 . 1 116 116 VAL H H 1 8.836 0.005 . 1 . . . . . 116 VAL H . 52557 1
1271 . 1 . 1 116 116 VAL HA H 1 4.417 0.005 . 1 . . . . . 116 VAL HA . 52557 1
1272 . 1 . 1 116 116 VAL HB H 1 2.344 0.006 . 1 . . . . . 116 VAL HB . 52557 1
1273 . 1 . 1 116 116 VAL HG11 H 1 0.517 0.005 . 2 . . . . . 116 VAL HG11 . 52557 1
1274 . 1 . 1 116 116 VAL HG12 H 1 0.517 0.005 . 2 . . . . . 116 VAL HG12 . 52557 1
1275 . 1 . 1 116 116 VAL HG13 H 1 0.517 0.005 . 2 . . . . . 116 VAL HG13 . 52557 1
1276 . 1 . 1 116 116 VAL HG21 H 1 0.574 0.004 . 2 . . . . . 116 VAL HG21 . 52557 1
1277 . 1 . 1 116 116 VAL HG22 H 1 0.574 0.004 . 2 . . . . . 116 VAL HG22 . 52557 1
1278 . 1 . 1 116 116 VAL HG23 H 1 0.574 0.004 . 2 . . . . . 116 VAL HG23 . 52557 1
1279 . 1 . 1 116 116 VAL C C 13 175.521 0.000 . 1 . . . . . 116 VAL C . 52557 1
1280 . 1 . 1 116 116 VAL CA C 13 61.955 0.085 . 1 . . . . . 116 VAL CA . 52557 1
1281 . 1 . 1 116 116 VAL CB C 13 33.892 0.013 . 1 . . . . . 116 VAL CB . 52557 1
1282 . 1 . 1 116 116 VAL CG1 C 13 22.875 0.000 . 2 . . . . . 116 VAL CG1 . 52557 1
1283 . 1 . 1 116 116 VAL CG2 C 13 19.794 0.000 . 2 . . . . . 116 VAL CG2 . 52557 1
1284 . 1 . 1 116 116 VAL N N 15 128.740 0.036 . 1 . . . . . 116 VAL N . 52557 1
1285 . 1 . 1 117 117 THR H H 1 8.506 0.002 . 1 . . . . . 117 THR H . 52557 1
1286 . 1 . 1 117 117 THR HA H 1 4.582 0.005 . 1 . . . . . 117 THR HA . 52557 1
1287 . 1 . 1 117 117 THR HB H 1 3.865 0.000 . 1 . . . . . 117 THR HB . 52557 1
1288 . 1 . 1 117 117 THR HG21 H 1 1.096 0.008 . 1 . . . . . 117 THR HG21 . 52557 1
1289 . 1 . 1 117 117 THR HG22 H 1 1.096 0.008 . 1 . . . . . 117 THR HG22 . 52557 1
1290 . 1 . 1 117 117 THR HG23 H 1 1.096 0.008 . 1 . . . . . 117 THR HG23 . 52557 1
1291 . 1 . 1 117 117 THR C C 13 174.555 0.000 . 1 . . . . . 117 THR C . 52557 1
1292 . 1 . 1 117 117 THR CA C 13 61.961 0.115 . 1 . . . . . 117 THR CA . 52557 1
1293 . 1 . 1 117 117 THR CB C 13 70.369 0.008 . 1 . . . . . 117 THR CB . 52557 1
1294 . 1 . 1 117 117 THR CG2 C 13 21.941 0.000 . 1 . . . . . 117 THR CG2 . 52557 1
1295 . 1 . 1 117 117 THR N N 15 124.993 0.020 . 1 . . . . . 117 THR N . 52557 1
1296 . 1 . 1 118 118 VAL H H 1 8.449 0.002 . 1 . . . . . 118 VAL H . 52557 1
1297 . 1 . 1 118 118 VAL HA H 1 4.795 0.013 . 1 . . . . . 118 VAL HA . 52557 1
1298 . 1 . 1 118 118 VAL HB H 1 1.926 0.022 . 1 . . . . . 118 VAL HB . 52557 1
1299 . 1 . 1 118 118 VAL HG11 H 1 0.313 0.001 . 2 . . . . . 118 VAL HG11 . 52557 1
1300 . 1 . 1 118 118 VAL HG12 H 1 0.313 0.001 . 2 . . . . . 118 VAL HG12 . 52557 1
1301 . 1 . 1 118 118 VAL HG13 H 1 0.313 0.001 . 2 . . . . . 118 VAL HG13 . 52557 1
1302 . 1 . 1 118 118 VAL HG21 H 1 0.588 0.002 . 2 . . . . . 118 VAL HG21 . 52557 1
1303 . 1 . 1 118 118 VAL HG22 H 1 0.588 0.002 . 2 . . . . . 118 VAL HG22 . 52557 1
1304 . 1 . 1 118 118 VAL HG23 H 1 0.588 0.002 . 2 . . . . . 118 VAL HG23 . 52557 1
1305 . 1 . 1 118 118 VAL C C 13 171.577 0.000 . 1 . . . . . 118 VAL C . 52557 1
1306 . 1 . 1 118 118 VAL CA C 13 59.663 0.028 . 1 . . . . . 118 VAL CA . 52557 1
1307 . 1 . 1 118 118 VAL CB C 13 31.319 0.011 . 1 . . . . . 118 VAL CB . 52557 1
1308 . 1 . 1 118 118 VAL CG1 C 13 20.226 0.000 . 2 . . . . . 118 VAL CG1 . 52557 1
1309 . 1 . 1 118 118 VAL CG2 C 13 20.647 0.000 . 2 . . . . . 118 VAL CG2 . 52557 1
1310 . 1 . 1 118 118 VAL N N 15 128.724 0.031 . 1 . . . . . 118 VAL N . 52557 1
1311 . 1 . 1 119 119 SER H H 1 8.399 0.004 . 1 . . . . . 119 SER H . 52557 1
1312 . 1 . 1 119 119 SER HA H 1 4.547 0.002 . 1 . . . . . 119 SER HA . 52557 1
1313 . 1 . 1 119 119 SER HB2 H 1 3.490 0.017 . 2 . . . . . 119 SER HB2 . 52557 1
1314 . 1 . 1 119 119 SER HB3 H 1 3.738 0.005 . 2 . . . . . 119 SER HB3 . 52557 1
1315 . 1 . 1 119 119 SER C C 13 175.613 0.000 . 1 . . . . . 119 SER C . 52557 1
1316 . 1 . 1 119 119 SER CA C 13 57.194 0.046 . 1 . . . . . 119 SER CA . 52557 1
1317 . 1 . 1 119 119 SER CB C 13 64.808 0.033 . 1 . . . . . 119 SER CB . 52557 1
1318 . 1 . 1 119 119 SER N N 15 119.595 0.036 . 1 . . . . . 119 SER N . 52557 1
1319 . 1 . 1 120 120 SER H H 1 8.707 0.004 . 1 . . . . . 120 SER H . 52557 1
1320 . 1 . 1 120 120 SER HA H 1 4.450 0.013 . 1 . . . . . 120 SER HA . 52557 1
1321 . 1 . 1 120 120 SER HB2 H 1 3.862 0.023 . 2 . . . . . 120 SER HB2 . 52557 1
1322 . 1 . 1 120 120 SER HB3 H 1 3.786 0.024 . 2 . . . . . 120 SER HB3 . 52557 1
1323 . 1 . 1 120 120 SER C C 13 173.578 0.000 . 1 . . . . . 120 SER C . 52557 1
1324 . 1 . 1 120 120 SER CA C 13 58.808 0.000 . 1 . . . . . 120 SER CA . 52557 1
1325 . 1 . 1 120 120 SER CB C 13 63.866 0.004 . 1 . . . . . 120 SER CB . 52557 1
1326 . 1 . 1 120 120 SER N N 15 119.245 0.056 . 1 . . . . . 120 SER N . 52557 1
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