data_51352
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 51352
_Entry.Title
;
1H,13C,15N backbone assignment of the human interleukin-1 receptor antagonist C66A/C122A
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2022-03-08
_Entry.Accession_date 2022-03-08
_Entry.Last_release_date 2022-03-08
_Entry.Original_release_date 2022-03-08
_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 Anthony Bishop . . . . 51352
2 Sravya Kotaru . . . . 51352
3 Glorise 'Torres Montalvo' . . . . 51352
4 Kyle Mimun . . . . 51352
5 Joshua Wand . . . . 51352
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 51352
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 424 51352
'15N chemical shifts' 130 51352
'1H chemical shifts' 130 51352
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 . . 2023-07-04 . original BMRB . 51352
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 51352
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID 36944645
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based simulated annealing
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Nat. Commun.'
_Citation.Journal_name_full 'Nature communications'
_Citation.Journal_volume 14
_Citation.Journal_issue 1
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 2041-1723
_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 1556
_Citation.Page_last 1556
_Citation.Year 2023
_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 Anthony Bishop A. C. . . 51352 1
2 Glorise Torres-Montalvo G. . . . 51352 1
3 Sravya Kotaru S. . . . 51352 1
4 Kyle Mimun K. . . . 51352 1
5 'A Joshua' Wand A. J. . . 51352 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 51352
_Assembly.ID 1
_Assembly.Name 'C66A/C122A Interleukin-1 antagonist'
_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 no
_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 'C66A/C122A Interleukin-1 antagonist' 1 $entity_1 . . yes native no no . . . 51352 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 69 69 SG . 1 . 1 CYS 116 116 SG . . . . . . . . . . . . 51352 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 51352
_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
;
RPSGRKSSKMQAFRIWDVNQ
KTFYLRNNQLVAGYLQGPNV
NLEEKIDVVPIEPHALFLGI
HGGKMALSCVKSGDETRLQL
EAVNITDLSENRKQDKRFAF
IRSDSGPTTSFESAACPGWF
LATAMEADQPVSLTNMPDEG
VMVTKFYFQEDE
;
_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 152
_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 . ARG . 51352 1
2 . PRO . 51352 1
3 . SER . 51352 1
4 . GLY . 51352 1
5 . ARG . 51352 1
6 . LYS . 51352 1
7 . SER . 51352 1
8 . SER . 51352 1
9 . LYS . 51352 1
10 . MET . 51352 1
11 . GLN . 51352 1
12 . ALA . 51352 1
13 . PHE . 51352 1
14 . ARG . 51352 1
15 . ILE . 51352 1
16 . TRP . 51352 1
17 . ASP . 51352 1
18 . VAL . 51352 1
19 . ASN . 51352 1
20 . GLN . 51352 1
21 . LYS . 51352 1
22 . THR . 51352 1
23 . PHE . 51352 1
24 . TYR . 51352 1
25 . LEU . 51352 1
26 . ARG . 51352 1
27 . ASN . 51352 1
28 . ASN . 51352 1
29 . GLN . 51352 1
30 . LEU . 51352 1
31 . VAL . 51352 1
32 . ALA . 51352 1
33 . GLY . 51352 1
34 . TYR . 51352 1
35 . LEU . 51352 1
36 . GLN . 51352 1
37 . GLY . 51352 1
38 . PRO . 51352 1
39 . ASN . 51352 1
40 . VAL . 51352 1
41 . ASN . 51352 1
42 . LEU . 51352 1
43 . GLU . 51352 1
44 . GLU . 51352 1
45 . LYS . 51352 1
46 . ILE . 51352 1
47 . ASP . 51352 1
48 . VAL . 51352 1
49 . VAL . 51352 1
50 . PRO . 51352 1
51 . ILE . 51352 1
52 . GLU . 51352 1
53 . PRO . 51352 1
54 . HIS . 51352 1
55 . ALA . 51352 1
56 . LEU . 51352 1
57 . PHE . 51352 1
58 . LEU . 51352 1
59 . GLY . 51352 1
60 . ILE . 51352 1
61 . HIS . 51352 1
62 . GLY . 51352 1
63 . GLY . 51352 1
64 . LYS . 51352 1
65 . MET . 51352 1
66 . ALA . 51352 1
67 . LEU . 51352 1
68 . SER . 51352 1
69 . CYS . 51352 1
70 . VAL . 51352 1
71 . LYS . 51352 1
72 . SER . 51352 1
73 . GLY . 51352 1
74 . ASP . 51352 1
75 . GLU . 51352 1
76 . THR . 51352 1
77 . ARG . 51352 1
78 . LEU . 51352 1
79 . GLN . 51352 1
80 . LEU . 51352 1
81 . GLU . 51352 1
82 . ALA . 51352 1
83 . VAL . 51352 1
84 . ASN . 51352 1
85 . ILE . 51352 1
86 . THR . 51352 1
87 . ASP . 51352 1
88 . LEU . 51352 1
89 . SER . 51352 1
90 . GLU . 51352 1
91 . ASN . 51352 1
92 . ARG . 51352 1
93 . LYS . 51352 1
94 . GLN . 51352 1
95 . ASP . 51352 1
96 . LYS . 51352 1
97 . ARG . 51352 1
98 . PHE . 51352 1
99 . ALA . 51352 1
100 . PHE . 51352 1
101 . ILE . 51352 1
102 . ARG . 51352 1
103 . SER . 51352 1
104 . ASP . 51352 1
105 . SER . 51352 1
106 . GLY . 51352 1
107 . PRO . 51352 1
108 . THR . 51352 1
109 . THR . 51352 1
110 . SER . 51352 1
111 . PHE . 51352 1
112 . GLU . 51352 1
113 . SER . 51352 1
114 . ALA . 51352 1
115 . ALA . 51352 1
116 . CYS . 51352 1
117 . PRO . 51352 1
118 . GLY . 51352 1
119 . TRP . 51352 1
120 . PHE . 51352 1
121 . LEU . 51352 1
122 . ALA . 51352 1
123 . THR . 51352 1
124 . ALA . 51352 1
125 . MET . 51352 1
126 . GLU . 51352 1
127 . ALA . 51352 1
128 . ASP . 51352 1
129 . GLN . 51352 1
130 . PRO . 51352 1
131 . VAL . 51352 1
132 . SER . 51352 1
133 . LEU . 51352 1
134 . THR . 51352 1
135 . ASN . 51352 1
136 . MET . 51352 1
137 . PRO . 51352 1
138 . ASP . 51352 1
139 . GLU . 51352 1
140 . GLY . 51352 1
141 . VAL . 51352 1
142 . MET . 51352 1
143 . VAL . 51352 1
144 . THR . 51352 1
145 . LYS . 51352 1
146 . PHE . 51352 1
147 . TYR . 51352 1
148 . PHE . 51352 1
149 . GLN . 51352 1
150 . GLU . 51352 1
151 . ASP . 51352 1
152 . GLU . 51352 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
. ARG 1 1 51352 1
. PRO 2 2 51352 1
. SER 3 3 51352 1
. GLY 4 4 51352 1
. ARG 5 5 51352 1
. LYS 6 6 51352 1
. SER 7 7 51352 1
. SER 8 8 51352 1
. LYS 9 9 51352 1
. MET 10 10 51352 1
. GLN 11 11 51352 1
. ALA 12 12 51352 1
. PHE 13 13 51352 1
. ARG 14 14 51352 1
. ILE 15 15 51352 1
. TRP 16 16 51352 1
. ASP 17 17 51352 1
. VAL 18 18 51352 1
. ASN 19 19 51352 1
. GLN 20 20 51352 1
. LYS 21 21 51352 1
. THR 22 22 51352 1
. PHE 23 23 51352 1
. TYR 24 24 51352 1
. LEU 25 25 51352 1
. ARG 26 26 51352 1
. ASN 27 27 51352 1
. ASN 28 28 51352 1
. GLN 29 29 51352 1
. LEU 30 30 51352 1
. VAL 31 31 51352 1
. ALA 32 32 51352 1
. GLY 33 33 51352 1
. TYR 34 34 51352 1
. LEU 35 35 51352 1
. GLN 36 36 51352 1
. GLY 37 37 51352 1
. PRO 38 38 51352 1
. ASN 39 39 51352 1
. VAL 40 40 51352 1
. ASN 41 41 51352 1
. LEU 42 42 51352 1
. GLU 43 43 51352 1
. GLU 44 44 51352 1
. LYS 45 45 51352 1
. ILE 46 46 51352 1
. ASP 47 47 51352 1
. VAL 48 48 51352 1
. VAL 49 49 51352 1
. PRO 50 50 51352 1
. ILE 51 51 51352 1
. GLU 52 52 51352 1
. PRO 53 53 51352 1
. HIS 54 54 51352 1
. ALA 55 55 51352 1
. LEU 56 56 51352 1
. PHE 57 57 51352 1
. LEU 58 58 51352 1
. GLY 59 59 51352 1
. ILE 60 60 51352 1
. HIS 61 61 51352 1
. GLY 62 62 51352 1
. GLY 63 63 51352 1
. LYS 64 64 51352 1
. MET 65 65 51352 1
. ALA 66 66 51352 1
. LEU 67 67 51352 1
. SER 68 68 51352 1
. CYS 69 69 51352 1
. VAL 70 70 51352 1
. LYS 71 71 51352 1
. SER 72 72 51352 1
. GLY 73 73 51352 1
. ASP 74 74 51352 1
. GLU 75 75 51352 1
. THR 76 76 51352 1
. ARG 77 77 51352 1
. LEU 78 78 51352 1
. GLN 79 79 51352 1
. LEU 80 80 51352 1
. GLU 81 81 51352 1
. ALA 82 82 51352 1
. VAL 83 83 51352 1
. ASN 84 84 51352 1
. ILE 85 85 51352 1
. THR 86 86 51352 1
. ASP 87 87 51352 1
. LEU 88 88 51352 1
. SER 89 89 51352 1
. GLU 90 90 51352 1
. ASN 91 91 51352 1
. ARG 92 92 51352 1
. LYS 93 93 51352 1
. GLN 94 94 51352 1
. ASP 95 95 51352 1
. LYS 96 96 51352 1
. ARG 97 97 51352 1
. PHE 98 98 51352 1
. ALA 99 99 51352 1
. PHE 100 100 51352 1
. ILE 101 101 51352 1
. ARG 102 102 51352 1
. SER 103 103 51352 1
. ASP 104 104 51352 1
. SER 105 105 51352 1
. GLY 106 106 51352 1
. PRO 107 107 51352 1
. THR 108 108 51352 1
. THR 109 109 51352 1
. SER 110 110 51352 1
. PHE 111 111 51352 1
. GLU 112 112 51352 1
. SER 113 113 51352 1
. ALA 114 114 51352 1
. ALA 115 115 51352 1
. CYS 116 116 51352 1
. PRO 117 117 51352 1
. GLY 118 118 51352 1
. TRP 119 119 51352 1
. PHE 120 120 51352 1
. LEU 121 121 51352 1
. ALA 122 122 51352 1
. THR 123 123 51352 1
. ALA 124 124 51352 1
. MET 125 125 51352 1
. GLU 126 126 51352 1
. ALA 127 127 51352 1
. ASP 128 128 51352 1
. GLN 129 129 51352 1
. PRO 130 130 51352 1
. VAL 131 131 51352 1
. SER 132 132 51352 1
. LEU 133 133 51352 1
. THR 134 134 51352 1
. ASN 135 135 51352 1
. MET 136 136 51352 1
. PRO 137 137 51352 1
. ASP 138 138 51352 1
. GLU 139 139 51352 1
. GLY 140 140 51352 1
. VAL 141 141 51352 1
. MET 142 142 51352 1
. VAL 143 143 51352 1
. THR 144 144 51352 1
. LYS 145 145 51352 1
. PHE 146 146 51352 1
. TYR 147 147 51352 1
. PHE 148 148 51352 1
. GLN 149 149 51352 1
. GLU 150 150 51352 1
. ASP 151 151 51352 1
. GLU 152 152 51352 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 51352
_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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51352 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 51352
_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 BL21(DE3) . . plasmid . . pET-15b . . . 51352 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 51352
_Sample.ID 1
_Sample.Name 'C66A/C122A IL-1Ra Assignment'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '95% H2O/5% 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 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 51352 1
2 'C66A/C122A Interleukin-1 antagonist' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51352 1
3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51352 1
4 MES 'natural abundance' . . . . . . 25 . . mM . . . . 51352 1
5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51352 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 51352
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'C66A/C122A IL-1Ra Assignment Conditions'
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6 . pH 51352 1
temperature 308.15 . K 51352 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 51352
_Software.ID 1
_Software.Type .
_Software.Name istHMS
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 51352 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 51352
_Software.ID 2
_Software.Type .
_Software.Name NMRbox
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 51352 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 51352
_Software.ID 3
_Software.Type .
_Software.Name NMRPipe
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 51352 3
stop_
save_
save_software_4
_Software.Sf_category software
_Software.Sf_framecode software_4
_Software.Entry_ID 51352
_Software.ID 4
_Software.Type .
_Software.Name ShiftX2
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift calculation' . 51352 4
stop_
save_
save_software_5
_Software.Sf_category software
_Software.Sf_framecode software_5
_Software.Entry_ID 51352
_Software.ID 5
_Software.Type .
_Software.Name SPARKY
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'data analysis' . 51352 5
'peak picking' . 51352 5
stop_
save_
save_software_6
_Software.Sf_category software
_Software.Sf_framecode software_6
_Software.Entry_ID 51352
_Software.ID 6
_Software.Type .
_Software.Name TOPSPIN
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 51352 6
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 51352
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Avance NEO 800'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE NEO'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 51352
_NMR_spectrometer.ID 2
_NMR_spectrometer.Name 'Avance 500'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
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 51352
_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 no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51352 1
2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51352 1
3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51352 1
4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51352 1
5 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51352 1
6 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51352 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 51352
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name 'IL-1Ra Assignment Spectra reference'
_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 . . . . . 51352 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51352 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51352 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 51352
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name IL-1Ra_assigned_ChemicalShifts
_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' . . . 51352 1
2 '3D CBCA(CO)NH' . . . 51352 1
3 '3D HNCACB' . . . 51352 1
4 '3D HNCA' . . . 51352 1
5 '3D HN(CA)CO' . . . 51352 1
6 '3D HNCO' . . . 51352 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
3 $software_3 . . 51352 1
4 $software_4 . . 51352 1
5 $software_5 . . 51352 1
6 $software_6 . . 51352 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 2 2 PRO CA C 13 62.428 . . 1 . . . . . 2 PRO CA . 51352 1
2 . 1 . 1 3 3 SER H H 1 7.802 . . 1 . . . . . 3 SER H . 51352 1
3 . 1 . 1 3 3 SER CA C 13 59.816 . . 1 . . . . . 3 SER CA . 51352 1
4 . 1 . 1 3 3 SER CB C 13 65.007 . . 1 . . . . . 3 SER CB . 51352 1
5 . 1 . 1 3 3 SER N N 15 124.469 . . 1 . . . . . 3 SER N . 51352 1
6 . 1 . 1 4 4 GLY C C 13 174.085 . . 1 . . . . . 4 GLY CO . 51352 1
7 . 1 . 1 4 4 GLY CA C 13 42.052 . . 1 . . . . . 4 GLY CA . 51352 1
8 . 1 . 1 5 5 ARG H H 1 7.905 . . 1 . . . . . 5 ARG H . 51352 1
9 . 1 . 1 5 5 ARG CA C 13 58.225 . . 1 . . . . . 5 ARG CA . 51352 1
10 . 1 . 1 5 5 ARG CB C 13 31.218 . . 1 . . . . . 5 ARG CB . 51352 1
11 . 1 . 1 5 5 ARG N N 15 129.411 . . 1 . . . . . 5 ARG N . 51352 1
12 . 1 . 1 8 8 SER C C 13 173.644 . . 1 . . . . . 8 SER CO . 51352 1
13 . 1 . 1 8 8 SER CA C 13 58.387 . . 1 . . . . . 8 SER CA . 51352 1
14 . 1 . 1 8 8 SER CB C 13 64.249 . . 1 . . . . . 8 SER CB . 51352 1
15 . 1 . 1 9 9 LYS H H 1 8.252 . . 1 . . . . . 9 LYS H . 51352 1
16 . 1 . 1 9 9 LYS C C 13 175.346 . . 1 . . . . . 9 LYS CO . 51352 1
17 . 1 . 1 9 9 LYS CA C 13 56.3405 . . 1 . . . . . 9 LYS CA . 51352 1
18 . 1 . 1 9 9 LYS CB C 13 33.4455 . . 1 . . . . . 9 LYS CB . 51352 1
19 . 1 . 1 9 9 LYS N N 15 122.667 . . 1 . . . . . 9 LYS N . 51352 1
20 . 1 . 1 10 10 MET H H 1 8.03 . . 1 . . . . . 10 MET H . 51352 1
21 . 1 . 1 10 10 MET C C 13 175.565 . . 1 . . . . . 10 MET CO . 51352 1
22 . 1 . 1 10 10 MET CA C 13 55.36 . . 1 . . . . . 10 MET CA . 51352 1
23 . 1 . 1 10 10 MET CB C 13 35.24 . . 1 . . . . . 10 MET CB . 51352 1
24 . 1 . 1 10 10 MET N N 15 120.667 . . 1 . . . . . 10 MET N . 51352 1
25 . 1 . 1 11 11 GLN H H 1 8.98 . . 1 . . . . . 11 GLN H . 51352 1
26 . 1 . 1 11 11 GLN C C 13 174.201 . . 1 . . . . . 11 GLN CO . 51352 1
27 . 1 . 1 11 11 GLN CA C 13 54.71 . . 1 . . . . . 11 GLN CA . 51352 1
28 . 1 . 1 11 11 GLN CB C 13 33.346 . . 1 . . . . . 11 GLN CB . 51352 1
29 . 1 . 1 11 11 GLN N N 15 124.663 . . 1 . . . . . 11 GLN N . 51352 1
30 . 1 . 1 12 12 ALA H H 1 8.467 . . 1 . . . . . 12 ALA H . 51352 1
31 . 1 . 1 12 12 ALA C C 13 176.5275 . . 1 . . . . . 12 ALA CO . 51352 1
32 . 1 . 1 12 12 ALA CA C 13 51.533 . . 1 . . . . . 12 ALA CA . 51352 1
33 . 1 . 1 12 12 ALA CB C 13 21.133 . . 1 . . . . . 12 ALA CB . 51352 1
34 . 1 . 1 12 12 ALA N N 15 126.237 . . 1 . . . . . 12 ALA N . 51352 1
35 . 1 . 1 13 13 PHE H H 1 9.606 . . 1 . . . . . 13 PHE H . 51352 1
36 . 1 . 1 13 13 PHE C C 13 175.3355 . . 1 . . . . . 13 PHE CO . 51352 1
37 . 1 . 1 13 13 PHE CA C 13 56.831 . . 1 . . . . . 13 PHE CA . 51352 1
38 . 1 . 1 13 13 PHE CB C 13 43.739 . . 1 . . . . . 13 PHE CB . 51352 1
39 . 1 . 1 13 13 PHE N N 15 122.974 . . 1 . . . . . 13 PHE N . 51352 1
40 . 1 . 1 14 14 ARG H H 1 8.987 . . 1 . . . . . 14 ARG H . 51352 1
41 . 1 . 1 14 14 ARG C C 13 174.8605 . . 1 . . . . . 14 ARG CO . 51352 1
42 . 1 . 1 14 14 ARG CA C 13 54.689 . . 1 . . . . . 14 ARG CA . 51352 1
43 . 1 . 1 14 14 ARG CB C 13 33.137 . . 1 . . . . . 14 ARG CB . 51352 1
44 . 1 . 1 14 14 ARG N N 15 119.141 . . 1 . . . . . 14 ARG N . 51352 1
45 . 1 . 1 15 15 ILE H H 1 8.997 . . 1 . . . . . 15 ILE H . 51352 1
46 . 1 . 1 15 15 ILE C C 13 172.7635 . . 1 . . . . . 15 ILE CO . 51352 1
47 . 1 . 1 15 15 ILE CA C 13 58.642 . . 1 . . . . . 15 ILE CA . 51352 1
48 . 1 . 1 15 15 ILE CB C 13 43.5035 . . 1 . . . . . 15 ILE CB . 51352 1
49 . 1 . 1 15 15 ILE N N 15 120.404 . . 1 . . . . . 15 ILE N . 51352 1
50 . 1 . 1 16 16 TRP H H 1 8.508 . . 1 . . . . . 16 TRP H . 51352 1
51 . 1 . 1 16 16 TRP C C 13 175.665 . . 1 . . . . . 16 TRP CO . 51352 1
52 . 1 . 1 16 16 TRP CA C 13 56.7325 . . 1 . . . . . 16 TRP CA . 51352 1
53 . 1 . 1 16 16 TRP CB C 13 32.1705 . . 1 . . . . . 16 TRP CB . 51352 1
54 . 1 . 1 16 16 TRP N N 15 123.725 . . 1 . . . . . 16 TRP N . 51352 1
55 . 1 . 1 17 17 ASP H H 1 9.323 . . 1 . . . . . 17 ASP H . 51352 1
56 . 1 . 1 17 17 ASP C C 13 178.373 . . 1 . . . . . 17 ASP CO . 51352 1
57 . 1 . 1 17 17 ASP CA C 13 53.007 . . 1 . . . . . 17 ASP CA . 51352 1
58 . 1 . 1 17 17 ASP CB C 13 42.0655 . . 1 . . . . . 17 ASP CB . 51352 1
59 . 1 . 1 17 17 ASP N N 15 120.185 . . 1 . . . . . 17 ASP N . 51352 1
60 . 1 . 1 18 18 VAL H H 1 6.66 . . 1 . . . . . 18 VAL H . 51352 1
61 . 1 . 1 18 18 VAL C C 13 176.189 . . 1 . . . . . 18 VAL CO . 51352 1
62 . 1 . 1 18 18 VAL CA C 13 64.267 . . 1 . . . . . 18 VAL CA . 51352 1
63 . 1 . 1 18 18 VAL CB C 13 31.37 . . 1 . . . . . 18 VAL CB . 51352 1
64 . 1 . 1 18 18 VAL N N 15 109.262 . . 1 . . . . . 18 VAL N . 51352 1
65 . 1 . 1 19 19 ASN C C 13 174.996 . . 1 . . . . . 19 ASN CO . 51352 1
66 . 1 . 1 19 19 ASN CA C 13 52.96 . . 1 . . . . . 19 ASN CA . 51352 1
67 . 1 . 1 19 19 ASN CB C 13 38.727 . . 1 . . . . . 19 ASN CB . 51352 1
68 . 1 . 1 20 20 GLN H H 1 8.793 . . 1 . . . . . 20 GLN H . 51352 1
69 . 1 . 1 20 20 GLN C C 13 174.63 . . 1 . . . . . 20 GLN CO . 51352 1
70 . 1 . 1 20 20 GLN CA C 13 58.0905 . . 1 . . . . . 20 GLN CA . 51352 1
71 . 1 . 1 20 20 GLN CB C 13 25.662 . . 1 . . . . . 20 GLN CB . 51352 1
72 . 1 . 1 20 20 GLN N N 15 113.365 . . 1 . . . . . 20 GLN N . 51352 1
73 . 1 . 1 21 21 LYS H H 1 8.536 . . 1 . . . . . 21 LYS H . 51352 1
74 . 1 . 1 21 21 LYS C C 13 176.446 . . 1 . . . . . 21 LYS CO . 51352 1
75 . 1 . 1 21 21 LYS CA C 13 57.8325 . . 1 . . . . . 21 LYS CA . 51352 1
76 . 1 . 1 21 21 LYS CB C 13 32.3605 . . 1 . . . . . 21 LYS CB . 51352 1
77 . 1 . 1 21 21 LYS N N 15 119.246 . . 1 . . . . . 21 LYS N . 51352 1
78 . 1 . 1 22 22 THR H H 1 8.843 . . 1 . . . . . 22 THR H . 51352 1
79 . 1 . 1 22 22 THR C C 13 174.184 . . 1 . . . . . 22 THR CO . 51352 1
80 . 1 . 1 22 22 THR CA C 13 60.0425 . . 1 . . . . . 22 THR CA . 51352 1
81 . 1 . 1 22 22 THR CB C 13 71.442 . . 1 . . . . . 22 THR CB . 51352 1
82 . 1 . 1 22 22 THR N N 15 113.773 . . 1 . . . . . 22 THR N . 51352 1
83 . 1 . 1 23 23 PHE H H 1 9.449 . . 1 . . . . . 23 PHE H . 51352 1
84 . 1 . 1 23 23 PHE C C 13 175.433 . . 1 . . . . . 23 PHE CO . 51352 1
85 . 1 . 1 23 23 PHE CA C 13 53.5615 . . 1 . . . . . 23 PHE CA . 51352 1
86 . 1 . 1 23 23 PHE CB C 13 39.001 . . 1 . . . . . 23 PHE CB . 51352 1
87 . 1 . 1 23 23 PHE N N 15 122.166 . . 1 . . . . . 23 PHE N . 51352 1
88 . 1 . 1 24 24 TYR H H 1 9.009 . . 1 . . . . . 24 TYR H . 51352 1
89 . 1 . 1 24 24 TYR C C 13 172.264 . . 1 . . . . . 24 TYR CO . 51352 1
90 . 1 . 1 24 24 TYR CA C 13 56.273 . . 1 . . . . . 24 TYR CA . 51352 1
91 . 1 . 1 24 24 TYR CB C 13 41.0905 . . 1 . . . . . 24 TYR CB . 51352 1
92 . 1 . 1 24 24 TYR N N 15 116.214 . . 1 . . . . . 24 TYR N . 51352 1
93 . 1 . 1 25 25 LEU H H 1 9.084 . . 1 . . . . . 25 LEU H . 51352 1
94 . 1 . 1 25 25 LEU C C 13 176.758 . . 1 . . . . . 25 LEU CO . 51352 1
95 . 1 . 1 25 25 LEU CA C 13 53.7235 . . 1 . . . . . 25 LEU CA . 51352 1
96 . 1 . 1 25 25 LEU CB C 13 43.932 . . 1 . . . . . 25 LEU CB . 51352 1
97 . 1 . 1 25 25 LEU N N 15 120.668 . . 1 . . . . . 25 LEU N . 51352 1
98 . 1 . 1 26 26 ARG H H 1 8.797 . . 1 . . . . . 26 ARG H . 51352 1
99 . 1 . 1 26 26 ARG C C 13 176.1095 . . 1 . . . . . 26 ARG CO . 51352 1
100 . 1 . 1 26 26 ARG CA C 13 55.3165 . . 1 . . . . . 26 ARG CA . 51352 1
101 . 1 . 1 26 26 ARG CB C 13 33.248 . . 1 . . . . . 26 ARG CB . 51352 1
102 . 1 . 1 26 26 ARG N N 15 123.834 . . 1 . . . . . 26 ARG N . 51352 1
103 . 1 . 1 27 27 ASN H H 1 9.505 . . 1 . . . . . 27 ASN H . 51352 1
104 . 1 . 1 27 27 ASN C C 13 174.36 . . 1 . . . . . 27 ASN CO . 51352 1
105 . 1 . 1 27 27 ASN CA C 13 54.765 . . 1 . . . . . 27 ASN CA . 51352 1
106 . 1 . 1 27 27 ASN CB C 13 37.1225 . . 1 . . . . . 27 ASN CB . 51352 1
107 . 1 . 1 27 27 ASN N N 15 127.83 . . 1 . . . . . 27 ASN N . 51352 1
108 . 1 . 1 28 28 ASN H H 1 8.705 . . 1 . . . . . 28 ASN H . 51352 1
109 . 1 . 1 28 28 ASN C C 13 172.8445 . . 1 . . . . . 28 ASN CO . 51352 1
110 . 1 . 1 28 28 ASN CA C 13 54.702 . . 1 . . . . . 28 ASN CA . 51352 1
111 . 1 . 1 28 28 ASN CB C 13 37.853 . . 1 . . . . . 28 ASN CB . 51352 1
112 . 1 . 1 28 28 ASN N N 15 110.17 . . 1 . . . . . 28 ASN N . 51352 1
113 . 1 . 1 29 29 GLN H H 1 7.571 . . 1 . . . . . 29 GLN H . 51352 1
114 . 1 . 1 29 29 GLN C C 13 174.006 . . 1 . . . . . 29 GLN CO . 51352 1
115 . 1 . 1 29 29 GLN CA C 13 54.044 . . 1 . . . . . 29 GLN CA . 51352 1
116 . 1 . 1 29 29 GLN CB C 13 31.8405 . . 1 . . . . . 29 GLN CB . 51352 1
117 . 1 . 1 29 29 GLN N N 15 116.737 . . 1 . . . . . 29 GLN N . 51352 1
118 . 1 . 1 30 30 LEU H H 1 8.645 . . 1 . . . . . 30 LEU H . 51352 1
119 . 1 . 1 30 30 LEU C C 13 175.1695 . . 1 . . . . . 30 LEU CO . 51352 1
120 . 1 . 1 30 30 LEU CA C 13 54.715 . . 1 . . . . . 30 LEU CA . 51352 1
121 . 1 . 1 30 30 LEU CB C 13 42.539 . . 1 . . . . . 30 LEU CB . 51352 1
122 . 1 . 1 30 30 LEU N N 15 124.782 . . 1 . . . . . 30 LEU N . 51352 1
123 . 1 . 1 31 31 VAL H H 1 9.054 . . 1 . . . . . 31 VAL H . 51352 1
124 . 1 . 1 31 31 VAL C C 13 172.717 . . 1 . . . . . 31 VAL CO . 51352 1
125 . 1 . 1 31 31 VAL CA C 13 59.7165 . . 1 . . . . . 31 VAL CA . 51352 1
126 . 1 . 1 31 31 VAL CB C 13 35.0005 . . 1 . . . . . 31 VAL CB . 51352 1
127 . 1 . 1 31 31 VAL N N 15 125.586 . . 1 . . . . . 31 VAL N . 51352 1
128 . 1 . 1 32 32 ALA H H 1 7.141 . . 1 . . . . . 32 ALA H . 51352 1
129 . 1 . 1 32 32 ALA C C 13 179.1045 . . 1 . . . . . 32 ALA CO . 51352 1
130 . 1 . 1 32 32 ALA CA C 13 48.8765 . . 1 . . . . . 32 ALA CA . 51352 1
131 . 1 . 1 32 32 ALA CB C 13 21.661 . . 1 . . . . . 32 ALA CB . 51352 1
132 . 1 . 1 32 32 ALA N N 15 118.486 . . 1 . . . . . 32 ALA N . 51352 1
133 . 1 . 1 33 33 GLY H H 1 9.733 . . 1 . . . . . 33 GLY H . 51352 1
134 . 1 . 1 33 33 GLY C C 13 169.013 . . 1 . . . . . 33 GLY CO . 51352 1
135 . 1 . 1 33 33 GLY CA C 13 45.5735 . . 1 . . . . . 33 GLY CA . 51352 1
136 . 1 . 1 33 33 GLY N N 15 113.18 . . 1 . . . . . 33 GLY N . 51352 1
137 . 1 . 1 34 34 TYR H H 1 9.117 . . 1 . . . . . 34 TYR H . 51352 1
138 . 1 . 1 34 34 TYR C C 13 175.323 . . 1 . . . . . 34 TYR CO . 51352 1
139 . 1 . 1 34 34 TYR CA C 13 57.066 . . 1 . . . . . 34 TYR CA . 51352 1
140 . 1 . 1 34 34 TYR CB C 13 38.707 . . 1 . . . . . 34 TYR CB . 51352 1
141 . 1 . 1 34 34 TYR N N 15 121.11 . . 1 . . . . . 34 TYR N . 51352 1
142 . 1 . 1 35 35 LEU H H 1 8.559 . . 1 . . . . . 35 LEU H . 51352 1
143 . 1 . 1 35 35 LEU C C 13 175.9505 . . 1 . . . . . 35 LEU CO . 51352 1
144 . 1 . 1 35 35 LEU CA C 13 53.9945 . . 1 . . . . . 35 LEU CA . 51352 1
145 . 1 . 1 35 35 LEU CB C 13 42.338 . . 1 . . . . . 35 LEU CB . 51352 1
146 . 1 . 1 35 35 LEU N N 15 125.107 . . 1 . . . . . 35 LEU N . 51352 1
147 . 1 . 1 36 36 GLN H H 1 8.302 . . 1 . . . . . 36 GLN H . 51352 1
148 . 1 . 1 36 36 GLN CA C 13 54.295 . . 1 . . . . . 36 GLN CA . 51352 1
149 . 1 . 1 36 36 GLN CB C 13 31.99 . . 1 . . . . . 36 GLN CB . 51352 1
150 . 1 . 1 36 36 GLN N N 15 119.683 . . 1 . . . . . 36 GLN N . 51352 1
151 . 1 . 1 38 38 PRO C C 13 177.454 . . 1 . . . . . 38 PRO CO . 51352 1
152 . 1 . 1 38 38 PRO CA C 13 64.114 . . 1 . . . . . 38 PRO CA . 51352 1
153 . 1 . 1 38 38 PRO CB C 13 31.915 . . 1 . . . . . 38 PRO CB . 51352 1
154 . 1 . 1 39 39 ASN H H 1 7.599 . . 1 . . . . . 39 ASN H . 51352 1
155 . 1 . 1 39 39 ASN C C 13 176.045 . . 1 . . . . . 39 ASN CO . 51352 1
156 . 1 . 1 39 39 ASN CA C 13 53.6775 . . 1 . . . . . 39 ASN CA . 51352 1
157 . 1 . 1 39 39 ASN CB C 13 38.064 . . 1 . . . . . 39 ASN CB . 51352 1
158 . 1 . 1 39 39 ASN N N 15 114.328 . . 1 . . . . . 39 ASN N . 51352 1
159 . 1 . 1 40 40 VAL H H 1 7.352 . . 1 . . . . . 40 VAL H . 51352 1
160 . 1 . 1 40 40 VAL C C 13 177.1735 . . 1 . . . . . 40 VAL CO . 51352 1
161 . 1 . 1 40 40 VAL CA C 13 65.045 . . 1 . . . . . 40 VAL CA . 51352 1
162 . 1 . 1 40 40 VAL CB C 13 31.1695 . . 1 . . . . . 40 VAL CB . 51352 1
163 . 1 . 1 40 40 VAL N N 15 115.995 . . 1 . . . . . 40 VAL N . 51352 1
164 . 1 . 1 41 41 ASN H H 1 7.676 . . 1 . . . . . 41 ASN H . 51352 1
165 . 1 . 1 41 41 ASN C C 13 175.55 . . 1 . . . . . 41 ASN CO . 51352 1
166 . 1 . 1 41 41 ASN CA C 13 54.482 . . 1 . . . . . 41 ASN CA . 51352 1
167 . 1 . 1 41 41 ASN CB C 13 37.868 . . 1 . . . . . 41 ASN CB . 51352 1
168 . 1 . 1 41 41 ASN N N 15 117.428 . . 1 . . . . . 41 ASN N . 51352 1
169 . 1 . 1 42 42 LEU H H 1 7.753 . . 1 . . . . . 42 LEU H . 51352 1
170 . 1 . 1 42 42 LEU C C 13 176.2995 . . 1 . . . . . 42 LEU CO . 51352 1
171 . 1 . 1 42 42 LEU CA C 13 54.965 . . 1 . . . . . 42 LEU CA . 51352 1
172 . 1 . 1 42 42 LEU CB C 13 41.9685 . . 1 . . . . . 42 LEU CB . 51352 1
173 . 1 . 1 42 42 LEU N N 15 118.664 . . 1 . . . . . 42 LEU N . 51352 1
174 . 1 . 1 43 43 GLU H H 1 7.064 . . 1 . . . . . 43 GLU H . 51352 1
175 . 1 . 1 43 43 GLU C C 13 176.933 . . 1 . . . . . 43 GLU CO . 51352 1
176 . 1 . 1 43 43 GLU CA C 13 57.416 . . 1 . . . . . 43 GLU CA . 51352 1
177 . 1 . 1 43 43 GLU CB C 13 30.264 . . 1 . . . . . 43 GLU CB . 51352 1
178 . 1 . 1 43 43 GLU N N 15 119.35 . . 1 . . . . . 43 GLU N . 51352 1
179 . 1 . 1 44 44 GLU C C 13 176.56 . . 1 . . . . . 44 GLU CO . 51352 1
180 . 1 . 1 44 44 GLU CA C 13 54.855 . . 1 . . . . . 44 GLU CA . 51352 1
181 . 1 . 1 44 44 GLU CB C 13 29.39 . . 1 . . . . . 44 GLU CB . 51352 1
182 . 1 . 1 45 45 LYS H H 1 7.941 . . 1 . . . . . 45 LYS H . 51352 1
183 . 1 . 1 45 45 LYS C C 13 175.708 . . 1 . . . . . 45 LYS CO . 51352 1
184 . 1 . 1 45 45 LYS CA C 13 55.821 . . 1 . . . . . 45 LYS CA . 51352 1
185 . 1 . 1 45 45 LYS CB C 13 33.2275 . . 1 . . . . . 45 LYS CB . 51352 1
186 . 1 . 1 45 45 LYS N N 15 122.928 . . 1 . . . . . 45 LYS N . 51352 1
187 . 1 . 1 46 46 ILE H H 1 8.985 . . 1 . . . . . 46 ILE H . 51352 1
188 . 1 . 1 46 46 ILE C C 13 175.3345 . . 1 . . . . . 46 ILE CO . 51352 1
189 . 1 . 1 46 46 ILE CA C 13 57.3175 . . 1 . . . . . 46 ILE CA . 51352 1
190 . 1 . 1 46 46 ILE CB C 13 38.0475 . . 1 . . . . . 46 ILE CB . 51352 1
191 . 1 . 1 46 46 ILE N N 15 121.134 . . 1 . . . . . 46 ILE N . 51352 1
192 . 1 . 1 47 47 ASP H H 1 8.98 . . 1 . . . . . 47 ASP H . 51352 1
193 . 1 . 1 47 47 ASP C C 13 174.522 . . 1 . . . . . 47 ASP CO . 51352 1
194 . 1 . 1 47 47 ASP CA C 13 53.444 . . 1 . . . . . 47 ASP CA . 51352 1
195 . 1 . 1 47 47 ASP CB C 13 43.7295 . . 1 . . . . . 47 ASP CB . 51352 1
196 . 1 . 1 47 47 ASP N N 15 128.28 . . 1 . . . . . 47 ASP N . 51352 1
197 . 1 . 1 48 48 VAL H H 1 8.861 . . 1 . . . . . 48 VAL H . 51352 1
198 . 1 . 1 48 48 VAL C C 13 176.258 . . 1 . . . . . 48 VAL CO . 51352 1
199 . 1 . 1 48 48 VAL CA C 13 60.2345 . . 1 . . . . . 48 VAL CA . 51352 1
200 . 1 . 1 48 48 VAL CB C 13 35.7805 . . 1 . . . . . 48 VAL CB . 51352 1
201 . 1 . 1 48 48 VAL N N 15 119.561 . . 1 . . . . . 48 VAL N . 51352 1
202 . 1 . 1 49 49 VAL H H 1 8.028 . . 1 . . . . . 49 VAL H . 51352 1
203 . 1 . 1 49 49 VAL C C 13 173.905 . . 1 . . . . . 49 VAL CO . 51352 1
204 . 1 . 1 49 49 VAL CA C 13 59.02 . . 1 . . . . . 49 VAL CA . 51352 1
205 . 1 . 1 49 49 VAL CB C 13 35.783 . . 1 . . . . . 49 VAL CB . 51352 1
206 . 1 . 1 49 49 VAL N N 15 124.516 . . 1 . . . . . 49 VAL N . 51352 1
207 . 1 . 1 50 50 PRO C C 13 175.789 . . 1 . . . . . 50 PRO CO . 51352 1
208 . 1 . 1 50 50 PRO CA C 13 62.816 . . 1 . . . . . 50 PRO CA . 51352 1
209 . 1 . 1 50 50 PRO CB C 13 32.514 . . 1 . . . . . 50 PRO CB . 51352 1
210 . 1 . 1 51 51 ILE H H 1 8.287 . . 1 . . . . . 51 ILE H . 51352 1
211 . 1 . 1 51 51 ILE C C 13 174.775 . . 1 . . . . . 51 ILE CO . 51352 1
212 . 1 . 1 51 51 ILE CA C 13 59.8815 . . 1 . . . . . 51 ILE CA . 51352 1
213 . 1 . 1 51 51 ILE CB C 13 40.855 . . 1 . . . . . 51 ILE CB . 51352 1
214 . 1 . 1 51 51 ILE N N 15 122.307 . . 1 . . . . . 51 ILE N . 51352 1
215 . 1 . 1 52 52 GLU H H 1 8.431 . . 1 . . . . . 52 GLU H . 51352 1
216 . 1 . 1 52 52 GLU C C 13 176.196 . . 1 . . . . . 52 GLU CO . 51352 1
217 . 1 . 1 52 52 GLU CA C 13 54.936 . . 1 . . . . . 52 GLU CA . 51352 1
218 . 1 . 1 52 52 GLU CB C 13 29.293 . . 1 . . . . . 52 GLU CB . 51352 1
219 . 1 . 1 52 52 GLU N N 15 123.991 . . 1 . . . . . 52 GLU N . 51352 1
220 . 1 . 1 53 53 PRO C C 13 176.856 . . 1 . . . . . 53 PRO CO . 51352 1
221 . 1 . 1 53 53 PRO CA C 13 63.252 . . 1 . . . . . 53 PRO CA . 51352 1
222 . 1 . 1 53 53 PRO CB C 13 33.494 . . 1 . . . . . 53 PRO CB . 51352 1
223 . 1 . 1 54 54 HIS H H 1 8.393 . . 1 . . . . . 54 HIS H . 51352 1
224 . 1 . 1 54 54 HIS C C 13 172.573 . . 1 . . . . . 54 HIS CO . 51352 1
225 . 1 . 1 54 54 HIS CA C 13 55.898 . . 1 . . . . . 54 HIS CA . 51352 1
226 . 1 . 1 54 54 HIS CB C 13 29.4065 . . 1 . . . . . 54 HIS CB . 51352 1
227 . 1 . 1 54 54 HIS N N 15 118.519 . . 1 . . . . . 54 HIS N . 51352 1
228 . 1 . 1 55 55 ALA H H 1 8.188 . . 1 . . . . . 55 ALA H . 51352 1
229 . 1 . 1 55 55 ALA C C 13 176.7635 . . 1 . . . . . 55 ALA CO . 51352 1
230 . 1 . 1 55 55 ALA CA C 13 50.503 . . 1 . . . . . 55 ALA CA . 51352 1
231 . 1 . 1 55 55 ALA CB C 13 22.313 . . 1 . . . . . 55 ALA CB . 51352 1
232 . 1 . 1 55 55 ALA N N 15 121.891 . . 1 . . . . . 55 ALA N . 51352 1
233 . 1 . 1 56 56 LEU H H 1 9.194 . . 1 . . . . . 56 LEU H . 51352 1
234 . 1 . 1 56 56 LEU C C 13 175.9215 . . 1 . . . . . 56 LEU CO . 51352 1
235 . 1 . 1 56 56 LEU CA C 13 54.782 . . 1 . . . . . 56 LEU CA . 51352 1
236 . 1 . 1 56 56 LEU CB C 13 44.4655 . . 1 . . . . . 56 LEU CB . 51352 1
237 . 1 . 1 56 56 LEU N N 15 118.148 . . 1 . . . . . 56 LEU N . 51352 1
238 . 1 . 1 57 57 PHE H H 1 8.487 . . 1 . . . . . 57 PHE H . 51352 1
239 . 1 . 1 57 57 PHE C C 13 174.983 . . 1 . . . . . 57 PHE CO . 51352 1
240 . 1 . 1 57 57 PHE CA C 13 56.341 . . 1 . . . . . 57 PHE CA . 51352 1
241 . 1 . 1 57 57 PHE CB C 13 40.5295 . . 1 . . . . . 57 PHE CB . 51352 1
242 . 1 . 1 57 57 PHE N N 15 119.69 . . 1 . . . . . 57 PHE N . 51352 1
243 . 1 . 1 58 58 LEU H H 1 9.907 . . 1 . . . . . 58 LEU H . 51352 1
244 . 1 . 1 58 58 LEU C C 13 174.956 . . 1 . . . . . 58 LEU CO . 51352 1
245 . 1 . 1 58 58 LEU CA C 13 53.8015 . . 1 . . . . . 58 LEU CA . 51352 1
246 . 1 . 1 58 58 LEU CB C 13 45.6265 . . 1 . . . . . 58 LEU CB . 51352 1
247 . 1 . 1 58 58 LEU N N 15 122.616 . . 1 . . . . . 58 LEU N . 51352 1
248 . 1 . 1 59 59 GLY H H 1 9.116 . . 1 . . . . . 59 GLY H . 51352 1
249 . 1 . 1 59 59 GLY C C 13 172.135 . . 1 . . . . . 59 GLY CO . 51352 1
250 . 1 . 1 59 59 GLY CA C 13 44.8615 . . 1 . . . . . 59 GLY CA . 51352 1
251 . 1 . 1 59 59 GLY N N 15 109.561 . . 1 . . . . . 59 GLY N . 51352 1
252 . 1 . 1 60 60 ILE H H 1 8.304 . . 1 . . . . . 60 ILE H . 51352 1
253 . 1 . 1 60 60 ILE C C 13 176.8815 . . 1 . . . . . 60 ILE CO . 51352 1
254 . 1 . 1 60 60 ILE CA C 13 59.865 . . 1 . . . . . 60 ILE CA . 51352 1
255 . 1 . 1 60 60 ILE CB C 13 42.222 . . 1 . . . . . 60 ILE CB . 51352 1
256 . 1 . 1 60 60 ILE N N 15 110.531 . . 1 . . . . . 60 ILE N . 51352 1
257 . 1 . 1 61 61 HIS H H 1 9.59 . . 1 . . . . . 61 HIS H . 51352 1
258 . 1 . 1 61 61 HIS C C 13 176.5015 . . 1 . . . . . 61 HIS CO . 51352 1
259 . 1 . 1 61 61 HIS CA C 13 55.7015 . . 1 . . . . . 61 HIS CA . 51352 1
260 . 1 . 1 61 61 HIS CB C 13 26.504 . . 1 . . . . . 61 HIS CB . 51352 1
261 . 1 . 1 61 61 HIS N N 15 117.362 . . 1 . . . . . 61 HIS N . 51352 1
262 . 1 . 1 62 62 GLY H H 1 9.023 . . 1 . . . . . 62 GLY H . 51352 1
263 . 1 . 1 62 62 GLY C C 13 176.0285 . . 1 . . . . . 62 GLY CO . 51352 1
264 . 1 . 1 62 62 GLY CA C 13 46.586 . . 1 . . . . . 62 GLY CA . 51352 1
265 . 1 . 1 62 62 GLY N N 15 111.333 . . 1 . . . . . 62 GLY N . 51352 1
266 . 1 . 1 63 63 GLY H H 1 8.091 . . 1 . . . . . 63 GLY H . 51352 1
267 . 1 . 1 63 63 GLY C C 13 172.5605 . . 1 . . . . . 63 GLY CO . 51352 1
268 . 1 . 1 63 63 GLY CA C 13 45.859 . . 1 . . . . . 63 GLY CA . 51352 1
269 . 1 . 1 63 63 GLY N N 15 107.374 . . 1 . . . . . 63 GLY N . 51352 1
270 . 1 . 1 64 64 LYS H H 1 7.144 . . 1 . . . . . 64 LYS H . 51352 1
271 . 1 . 1 64 64 LYS C C 13 176.1715 . . 1 . . . . . 64 LYS CO . 51352 1
272 . 1 . 1 64 64 LYS CA C 13 57.0755 . . 1 . . . . . 64 LYS CA . 51352 1
273 . 1 . 1 64 64 LYS CB C 13 32.985 . . 1 . . . . . 64 LYS CB . 51352 1
274 . 1 . 1 64 64 LYS N N 15 116.315 . . 1 . . . . . 64 LYS N . 51352 1
275 . 1 . 1 65 65 MET H H 1 7.683 . . 1 . . . . . 65 MET H . 51352 1
276 . 1 . 1 65 65 MET C C 13 173.894 . . 1 . . . . . 65 MET CO . 51352 1
277 . 1 . 1 65 65 MET CA C 13 54.393 . . 1 . . . . . 65 MET CA . 51352 1
278 . 1 . 1 65 65 MET CB C 13 37.697 . . 1 . . . . . 65 MET CB . 51352 1
279 . 1 . 1 65 65 MET N N 15 115.567 . . 1 . . . . . 65 MET N . 51352 1
280 . 1 . 1 66 66 ALA H H 1 9.068 . . 1 . . . . . 66 ALA H . 51352 1
281 . 1 . 1 66 66 ALA C C 13 176.304 . . 1 . . . . . 66 ALA CO . 51352 1
282 . 1 . 1 66 66 ALA CA C 13 51.248 . . 1 . . . . . 66 ALA CA . 51352 1
283 . 1 . 1 66 66 ALA CB C 13 24.1855 . . 1 . . . . . 66 ALA CB . 51352 1
284 . 1 . 1 66 66 ALA N N 15 123.024 . . 1 . . . . . 66 ALA N . 51352 1
285 . 1 . 1 67 67 LEU H H 1 8.212 . . 1 . . . . . 67 LEU H . 51352 1
286 . 1 . 1 67 67 LEU C C 13 175.676 . . 1 . . . . . 67 LEU CO . 51352 1
287 . 1 . 1 67 67 LEU CA C 13 55.811 . . 1 . . . . . 67 LEU CA . 51352 1
288 . 1 . 1 67 67 LEU CB C 13 43.588 . . 1 . . . . . 67 LEU CB . 51352 1
289 . 1 . 1 67 67 LEU N N 15 122.396 . . 1 . . . . . 67 LEU N . 51352 1
290 . 1 . 1 68 68 SER H H 1 8.73 . . 1 . . . . . 68 SER H . 51352 1
291 . 1 . 1 68 68 SER C C 13 173.306 . . 1 . . . . . 68 SER CO . 51352 1
292 . 1 . 1 68 68 SER CA C 13 55.726 . . 1 . . . . . 68 SER CA . 51352 1
293 . 1 . 1 68 68 SER CB C 13 67.494 . . 1 . . . . . 68 SER CB . 51352 1
294 . 1 . 1 68 68 SER N N 15 111.853 . . 1 . . . . . 68 SER N . 51352 1
295 . 1 . 1 69 69 CYS H H 1 7.347 . . 1 . . . . . 69 CYS H . 51352 1
296 . 1 . 1 69 69 CYS C C 13 173.6885 . . 1 . . . . . 69 CYS CO . 51352 1
297 . 1 . 1 69 69 CYS CA C 13 54.072 . . 1 . . . . . 69 CYS CA . 51352 1
298 . 1 . 1 69 69 CYS CB C 13 47.8945 . . 1 . . . . . 69 CYS CB . 51352 1
299 . 1 . 1 69 69 CYS N N 15 116.501 . . 1 . . . . . 69 CYS N . 51352 1
300 . 1 . 1 70 70 VAL H H 1 8.595 . . 1 . . . . . 70 VAL H . 51352 1
301 . 1 . 1 70 70 VAL C C 13 173.9125 . . 1 . . . . . 70 VAL CO . 51352 1
302 . 1 . 1 70 70 VAL CA C 13 60.54 . . 1 . . . . . 70 VAL CA . 51352 1
303 . 1 . 1 70 70 VAL CB C 13 34.822 . . 1 . . . . . 70 VAL CB . 51352 1
304 . 1 . 1 70 70 VAL N N 15 126.037 . . 1 . . . . . 70 VAL N . 51352 1
305 . 1 . 1 71 71 LYS H H 1 8.041 . . 1 . . . . . 71 LYS H . 51352 1
306 . 1 . 1 71 71 LYS C C 13 176.4235 . . 1 . . . . . 71 LYS CO . 51352 1
307 . 1 . 1 71 71 LYS CA C 13 54.4725 . . 1 . . . . . 71 LYS CA . 51352 1
308 . 1 . 1 71 71 LYS CB C 13 33.639 . . 1 . . . . . 71 LYS CB . 51352 1
309 . 1 . 1 71 71 LYS N N 15 125.363 . . 1 . . . . . 71 LYS N . 51352 1
310 . 1 . 1 72 72 SER H H 1 8.177 . . 1 . . . . . 72 SER H . 51352 1
311 . 1 . 1 72 72 SER C C 13 174.9585 . . 1 . . . . . 72 SER CO . 51352 1
312 . 1 . 1 72 72 SER CA C 13 56.216 . . 1 . . . . . 72 SER CA . 51352 1
313 . 1 . 1 72 72 SER CB C 13 63.3875 . . 1 . . . . . 72 SER CB . 51352 1
314 . 1 . 1 72 72 SER N N 15 119.68 . . 1 . . . . . 72 SER N . 51352 1
315 . 1 . 1 73 73 GLY H H 1 8.834 . . 1 . . . . . 73 GLY H . 51352 1
316 . 1 . 1 73 73 GLY C C 13 174.7835 . . 1 . . . . . 73 GLY CO . 51352 1
317 . 1 . 1 73 73 GLY CA C 13 47.2055 . . 1 . . . . . 73 GLY CA . 51352 1
318 . 1 . 1 73 73 GLY N N 15 117.422 . . 1 . . . . . 73 GLY N . 51352 1
319 . 1 . 1 74 74 ASP H H 1 8.79 . . 1 . . . . . 74 ASP H . 51352 1
320 . 1 . 1 74 74 ASP C C 13 175.872 . . 1 . . . . . 74 ASP CO . 51352 1
321 . 1 . 1 74 74 ASP CA C 13 54.644 . . 1 . . . . . 74 ASP CA . 51352 1
322 . 1 . 1 74 74 ASP CB C 13 41.159 . . 1 . . . . . 74 ASP CB . 51352 1
323 . 1 . 1 74 74 ASP N N 15 125.569 . . 1 . . . . . 74 ASP N . 51352 1
324 . 1 . 1 75 75 GLU H H 1 7.952 . . 1 . . . . . 75 GLU H . 51352 1
325 . 1 . 1 75 75 GLU C C 13 175.2625 . . 1 . . . . . 75 GLU CO . 51352 1
326 . 1 . 1 75 75 GLU CA C 13 55.8615 . . 1 . . . . . 75 GLU CA . 51352 1
327 . 1 . 1 75 75 GLU CB C 13 31.88 . . 1 . . . . . 75 GLU CB . 51352 1
328 . 1 . 1 75 75 GLU N N 15 120.423 . . 1 . . . . . 75 GLU N . 51352 1
329 . 1 . 1 76 76 THR H H 1 7.876 . . 1 . . . . . 76 THR H . 51352 1
330 . 1 . 1 76 76 THR C C 13 173.188 . . 1 . . . . . 76 THR CO . 51352 1
331 . 1 . 1 76 76 THR CA C 13 62.6575 . . 1 . . . . . 76 THR CA . 51352 1
332 . 1 . 1 76 76 THR CB C 13 69.3205 . . 1 . . . . . 76 THR CB . 51352 1
333 . 1 . 1 76 76 THR N N 15 121.004 . . 1 . . . . . 76 THR N . 51352 1
334 . 1 . 1 77 77 ARG H H 1 8.457 . . 1 . . . . . 77 ARG H . 51352 1
335 . 1 . 1 77 77 ARG CA C 13 54.256 . . 1 . . . . . 77 ARG CA . 51352 1
336 . 1 . 1 77 77 ARG CB C 13 33.911 . . 1 . . . . . 77 ARG CB . 51352 1
337 . 1 . 1 77 77 ARG N N 15 123.274 . . 1 . . . . . 77 ARG N . 51352 1
338 . 1 . 1 78 78 LEU C C 13 176.255 . . 1 . . . . . 78 LEU CO . 51352 1
339 . 1 . 1 78 78 LEU CA C 13 53.48 . . 1 . . . . . 78 LEU CA . 51352 1
340 . 1 . 1 78 78 LEU CB C 13 43.784 . . 1 . . . . . 78 LEU CB . 51352 1
341 . 1 . 1 79 79 GLN H H 1 8.958 . . 1 . . . . . 79 GLN H . 51352 1
342 . 1 . 1 79 79 GLN C C 13 173.1085 . . 1 . . . . . 79 GLN CO . 51352 1
343 . 1 . 1 79 79 GLN CA C 13 54.0965 . . 1 . . . . . 79 GLN CA . 51352 1
344 . 1 . 1 79 79 GLN CB C 13 32.2075 . . 1 . . . . . 79 GLN CB . 51352 1
345 . 1 . 1 79 79 GLN N N 15 127.091 . . 1 . . . . . 79 GLN N . 51352 1
346 . 1 . 1 80 80 LEU H H 1 8.142 . . 1 . . . . . 80 LEU H . 51352 1
347 . 1 . 1 80 80 LEU C C 13 176.736 . . 1 . . . . . 80 LEU CO . 51352 1
348 . 1 . 1 80 80 LEU CA C 13 53.704 . . 1 . . . . . 80 LEU CA . 51352 1
349 . 1 . 1 80 80 LEU CB C 13 43.4875 . . 1 . . . . . 80 LEU CB . 51352 1
350 . 1 . 1 80 80 LEU N N 15 123.317 . . 1 . . . . . 80 LEU N . 51352 1
351 . 1 . 1 81 81 GLU H H 1 9.14 . . 1 . . . . . 81 GLU H . 51352 1
352 . 1 . 1 81 81 GLU C C 13 175.5765 . . 1 . . . . . 81 GLU CO . 51352 1
353 . 1 . 1 81 81 GLU CA C 13 55.0265 . . 1 . . . . . 81 GLU CA . 51352 1
354 . 1 . 1 81 81 GLU CB C 13 33.5535 . . 1 . . . . . 81 GLU CB . 51352 1
355 . 1 . 1 81 81 GLU N N 15 123.192 . . 1 . . . . . 81 GLU N . 51352 1
356 . 1 . 1 82 82 ALA H H 1 8.788 . . 1 . . . . . 82 ALA H . 51352 1
357 . 1 . 1 82 82 ALA C C 13 175.1055 . . 1 . . . . . 82 ALA CO . 51352 1
358 . 1 . 1 82 82 ALA CA C 13 51.7645 . . 1 . . . . . 82 ALA CA . 51352 1
359 . 1 . 1 82 82 ALA CB C 13 16.7615 . . 1 . . . . . 82 ALA CB . 51352 1
360 . 1 . 1 82 82 ALA N N 15 127.798 . . 1 . . . . . 82 ALA N . 51352 1
361 . 1 . 1 83 83 VAL H H 1 7.573 . . 1 . . . . . 83 VAL H . 51352 1
362 . 1 . 1 83 83 VAL C C 13 171.73 . . 1 . . . . . 83 VAL CO . 51352 1
363 . 1 . 1 83 83 VAL CA C 13 60.14 . . 1 . . . . . 83 VAL CA . 51352 1
364 . 1 . 1 83 83 VAL CB C 13 34.9475 . . 1 . . . . . 83 VAL CB . 51352 1
365 . 1 . 1 83 83 VAL N N 15 124.403 . . 1 . . . . . 83 VAL N . 51352 1
366 . 1 . 1 84 84 ASN H H 1 7.932 . . 1 . . . . . 84 ASN H . 51352 1
367 . 1 . 1 84 84 ASN C C 13 178.2015 . . 1 . . . . . 84 ASN CO . 51352 1
368 . 1 . 1 84 84 ASN CA C 13 51.443 . . 1 . . . . . 84 ASN CA . 51352 1
369 . 1 . 1 84 84 ASN CB C 13 38.456 . . 1 . . . . . 84 ASN CB . 51352 1
370 . 1 . 1 84 84 ASN N N 15 119.632 . . 1 . . . . . 84 ASN N . 51352 1
371 . 1 . 1 85 85 ILE H H 1 8.537 . . 1 . . . . . 85 ILE H . 51352 1
372 . 1 . 1 85 85 ILE C C 13 176.799 . . 1 . . . . . 85 ILE CO . 51352 1
373 . 1 . 1 85 85 ILE CA C 13 64.4255 . . 1 . . . . . 85 ILE CA . 51352 1
374 . 1 . 1 85 85 ILE CB C 13 38.0865 . . 1 . . . . . 85 ILE CB . 51352 1
375 . 1 . 1 85 85 ILE N N 15 121.845 . . 1 . . . . . 85 ILE N . 51352 1
376 . 1 . 1 86 86 THR H H 1 7.722 . . 1 . . . . . 86 THR H . 51352 1
377 . 1 . 1 86 86 THR C C 13 174.9065 . . 1 . . . . . 86 THR CO . 51352 1
378 . 1 . 1 86 86 THR CA C 13 63.675 . . 1 . . . . . 86 THR CA . 51352 1
379 . 1 . 1 86 86 THR CB C 13 68.425 . . 1 . . . . . 86 THR CB . 51352 1
380 . 1 . 1 86 86 THR N N 15 109.701 . . 1 . . . . . 86 THR N . 51352 1
381 . 1 . 1 87 87 ASP H H 1 7.662 . . 1 . . . . . 87 ASP H . 51352 1
382 . 1 . 1 87 87 ASP C C 13 176.411 . . 1 . . . . . 87 ASP CO . 51352 1
383 . 1 . 1 87 87 ASP CA C 13 54.496 . . 1 . . . . . 87 ASP CA . 51352 1
384 . 1 . 1 87 87 ASP CB C 13 41.587 . . 1 . . . . . 87 ASP CB . 51352 1
385 . 1 . 1 87 87 ASP N N 15 120.43 . . 1 . . . . . 87 ASP N . 51352 1
386 . 1 . 1 88 88 LEU H H 1 6.519 . . 1 . . . . . 88 LEU H . 51352 1
387 . 1 . 1 88 88 LEU C C 13 177.185 . . 1 . . . . . 88 LEU CO . 51352 1
388 . 1 . 1 88 88 LEU CA C 13 54.4235 . . 1 . . . . . 88 LEU CA . 51352 1
389 . 1 . 1 88 88 LEU CB C 13 42.4515 . . 1 . . . . . 88 LEU CB . 51352 1
390 . 1 . 1 88 88 LEU N N 15 119.958 . . 1 . . . . . 88 LEU N . 51352 1
391 . 1 . 1 89 89 SER H H 1 9.753 . . 1 . . . . . 89 SER H . 51352 1
392 . 1 . 1 89 89 SER C C 13 175.5275 . . 1 . . . . . 89 SER CO . 51352 1
393 . 1 . 1 89 89 SER CA C 13 56.8585 . . 1 . . . . . 89 SER CA . 51352 1
394 . 1 . 1 89 89 SER CB C 13 64.9745 . . 1 . . . . . 89 SER CB . 51352 1
395 . 1 . 1 89 89 SER N N 15 116.139 . . 1 . . . . . 89 SER N . 51352 1
396 . 1 . 1 90 90 GLU H H 1 9.701 . . 1 . . . . . 90 GLU H . 51352 1
397 . 1 . 1 90 90 GLU C C 13 175.62 . . 1 . . . . . 90 GLU CO . 51352 1
398 . 1 . 1 90 90 GLU CA C 13 57.9835 . . 1 . . . . . 90 GLU CA . 51352 1
399 . 1 . 1 90 90 GLU CB C 13 29.1225 . . 1 . . . . . 90 GLU CB . 51352 1
400 . 1 . 1 90 90 GLU N N 15 127.083 . . 1 . . . . . 90 GLU N . 51352 1
401 . 1 . 1 91 91 ASN H H 1 8.1 . . 1 . . . . . 91 ASN H . 51352 1
402 . 1 . 1 91 91 ASN C C 13 174.709 . . 1 . . . . . 91 ASN CO . 51352 1
403 . 1 . 1 91 91 ASN CA C 13 53.2675 . . 1 . . . . . 91 ASN CA . 51352 1
404 . 1 . 1 91 91 ASN CB C 13 39.348 . . 1 . . . . . 91 ASN CB . 51352 1
405 . 1 . 1 91 91 ASN N N 15 116.067 . . 1 . . . . . 91 ASN N . 51352 1
406 . 1 . 1 92 92 ARG H H 1 7.409 . . 1 . . . . . 92 ARG H . 51352 1
407 . 1 . 1 92 92 ARG CA C 13 55.665 . . 1 . . . . . 92 ARG CA . 51352 1
408 . 1 . 1 92 92 ARG CB C 13 31.212 . . 1 . . . . . 92 ARG CB . 51352 1
409 . 1 . 1 92 92 ARG N N 15 120.624 . . 1 . . . . . 92 ARG N . 51352 1
410 . 1 . 1 93 93 LYS C C 13 179.197 . . 1 . . . . . 93 LYS CO . 51352 1
411 . 1 . 1 93 93 LYS CA C 13 59.886 . . 1 . . . . . 93 LYS CA . 51352 1
412 . 1 . 1 93 93 LYS CB C 13 32.076 . . 1 . . . . . 93 LYS CB . 51352 1
413 . 1 . 1 94 94 GLN H H 1 9.072 . . 1 . . . . . 94 GLN H . 51352 1
414 . 1 . 1 94 94 GLN C C 13 176.7285 . . 1 . . . . . 94 GLN CO . 51352 1
415 . 1 . 1 94 94 GLN CA C 13 58.3675 . . 1 . . . . . 94 GLN CA . 51352 1
416 . 1 . 1 94 94 GLN CB C 13 28.012 . . 1 . . . . . 94 GLN CB . 51352 1
417 . 1 . 1 94 94 GLN N N 15 116.954 . . 1 . . . . . 94 GLN N . 51352 1
418 . 1 . 1 95 95 ASP H H 1 7.577 . . 1 . . . . . 95 ASP H . 51352 1
419 . 1 . 1 95 95 ASP C C 13 177.216 . . 1 . . . . . 95 ASP CO . 51352 1
420 . 1 . 1 95 95 ASP CA C 13 55.091 . . 1 . . . . . 95 ASP CA . 51352 1
421 . 1 . 1 95 95 ASP CB C 13 40.447 . . 1 . . . . . 95 ASP CB . 51352 1
422 . 1 . 1 95 95 ASP N N 15 120.139 . . 1 . . . . . 95 ASP N . 51352 1
423 . 1 . 1 97 97 ARG C C 13 177.126 . . 1 . . . . . 97 ARG CO . 51352 1
424 . 1 . 1 97 97 ARG CA C 13 58.1 . . 1 . . . . . 97 ARG CA . 51352 1
425 . 1 . 1 97 97 ARG CB C 13 27.738 . . 1 . . . . . 97 ARG CB . 51352 1
426 . 1 . 1 98 98 PHE H H 1 7.595 . . 1 . . . . . 98 PHE H . 51352 1
427 . 1 . 1 98 98 PHE C C 13 174.9265 . . 1 . . . . . 98 PHE CO . 51352 1
428 . 1 . 1 98 98 PHE CA C 13 57.9985 . . 1 . . . . . 98 PHE CA . 51352 1
429 . 1 . 1 98 98 PHE CB C 13 40.329 . . 1 . . . . . 98 PHE CB . 51352 1
430 . 1 . 1 98 98 PHE N N 15 120.774 . . 1 . . . . . 98 PHE N . 51352 1
431 . 1 . 1 99 99 ALA H H 1 7.765 . . 1 . . . . . 99 ALA H . 51352 1
432 . 1 . 1 99 99 ALA C C 13 177.594 . . 1 . . . . . 99 ALA CO . 51352 1
433 . 1 . 1 99 99 ALA CA C 13 51.85 . . 1 . . . . . 99 ALA CA . 51352 1
434 . 1 . 1 99 99 ALA CB C 13 19.702 . . 1 . . . . . 99 ALA CB . 51352 1
435 . 1 . 1 99 99 ALA N N 15 120.628 . . 1 . . . . . 99 ALA N . 51352 1
436 . 1 . 1 100 100 PHE H H 1 9.566 . . 1 . . . . . 100 PHE H . 51352 1
437 . 1 . 1 100 100 PHE C C 13 173.6155 . . 1 . . . . . 100 PHE CO . 51352 1
438 . 1 . 1 100 100 PHE CA C 13 56.8745 . . 1 . . . . . 100 PHE CA . 51352 1
439 . 1 . 1 100 100 PHE CB C 13 43.287 . . 1 . . . . . 100 PHE CB . 51352 1
440 . 1 . 1 100 100 PHE N N 15 123.226 . . 1 . . . . . 100 PHE N . 51352 1
441 . 1 . 1 101 101 ILE H H 1 10.05 . . 1 . . . . . 101 ILE H . 51352 1
442 . 1 . 1 101 101 ILE C C 13 176.6225 . . 1 . . . . . 101 ILE CO . 51352 1
443 . 1 . 1 101 101 ILE CA C 13 60.9225 . . 1 . . . . . 101 ILE CA . 51352 1
444 . 1 . 1 101 101 ILE CB C 13 39.959 . . 1 . . . . . 101 ILE CB . 51352 1
445 . 1 . 1 101 101 ILE N N 15 121.692 . . 1 . . . . . 101 ILE N . 51352 1
446 . 1 . 1 102 102 ARG H H 1 8.909 . . 1 . . . . . 102 ARG H . 51352 1
447 . 1 . 1 102 102 ARG C C 13 175.37 . . 1 . . . . . 102 ARG CO . 51352 1
448 . 1 . 1 102 102 ARG CA C 13 55.526 . . 1 . . . . . 102 ARG CA . 51352 1
449 . 1 . 1 102 102 ARG CB C 13 31.812 . . 1 . . . . . 102 ARG CB . 51352 1
450 . 1 . 1 102 102 ARG N N 15 129.928 . . 1 . . . . . 102 ARG N . 51352 1
451 . 1 . 1 103 103 SER H H 1 8.478 . . 1 . . . . . 103 SER H . 51352 1
452 . 1 . 1 103 103 SER C C 13 172.439 . . 1 . . . . . 103 SER CO . 51352 1
453 . 1 . 1 103 103 SER CA C 13 57.162 . . 1 . . . . . 103 SER CA . 51352 1
454 . 1 . 1 103 103 SER CB C 13 64.922 . . 1 . . . . . 103 SER CB . 51352 1
455 . 1 . 1 103 103 SER N N 15 121.448 . . 1 . . . . . 103 SER N . 51352 1
456 . 1 . 1 104 104 ASP C C 13 175.788 . . 1 . . . . . 104 ASP CO . 51352 1
457 . 1 . 1 104 104 ASP CA C 13 53.636 . . 1 . . . . . 104 ASP CA . 51352 1
458 . 1 . 1 104 104 ASP CB C 13 43.733 . . 1 . . . . . 104 ASP CB . 51352 1
459 . 1 . 1 105 105 SER H H 1 8.437 . . 1 . . . . . 105 SER H . 51352 1
460 . 1 . 1 105 105 SER C C 13 174.8105 . . 1 . . . . . 105 SER CO . 51352 1
461 . 1 . 1 105 105 SER CA C 13 56.3005 . . 1 . . . . . 105 SER CA . 51352 1
462 . 1 . 1 105 105 SER CB C 13 63.256 . . 1 . . . . . 105 SER CB . 51352 1
463 . 1 . 1 105 105 SER N N 15 116.99 . . 1 . . . . . 105 SER N . 51352 1
464 . 1 . 1 106 106 GLY H H 1 8.889 . . 1 . . . . . 106 GLY H . 51352 1
465 . 1 . 1 106 106 GLY CA C 13 44.828 . . 1 . . . . . 106 GLY CA . 51352 1
466 . 1 . 1 106 106 GLY N N 15 118.618 . . 1 . . . . . 106 GLY N . 51352 1
467 . 1 . 1 107 107 PRO C C 13 176.363 . . 1 . . . . . 107 PRO CO . 51352 1
468 . 1 . 1 107 107 PRO CA C 13 63.678 . . 1 . . . . . 107 PRO CA . 51352 1
469 . 1 . 1 107 107 PRO CB C 13 32.914 . . 1 . . . . . 107 PRO CB . 51352 1
470 . 1 . 1 108 108 THR H H 1 7.443 . . 1 . . . . . 108 THR H . 51352 1
471 . 1 . 1 108 108 THR C C 13 173.5475 . . 1 . . . . . 108 THR CO . 51352 1
472 . 1 . 1 108 108 THR CA C 13 59.843 . . 1 . . . . . 108 THR CA . 51352 1
473 . 1 . 1 108 108 THR CB C 13 72.4995 . . 1 . . . . . 108 THR CB . 51352 1
474 . 1 . 1 108 108 THR N N 15 108.582 . . 1 . . . . . 108 THR N . 51352 1
475 . 1 . 1 109 109 THR H H 1 9.584 . . 1 . . . . . 109 THR H . 51352 1
476 . 1 . 1 109 109 THR C C 13 173.1135 . . 1 . . . . . 109 THR CO . 51352 1
477 . 1 . 1 109 109 THR CA C 13 62.3 . . 1 . . . . . 109 THR CA . 51352 1
478 . 1 . 1 109 109 THR CB C 13 72.5865 . . 1 . . . . . 109 THR CB . 51352 1
479 . 1 . 1 109 109 THR N N 15 119.144 . . 1 . . . . . 109 THR N . 51352 1
480 . 1 . 1 110 110 SER H H 1 8.65 . . 1 . . . . . 110 SER H . 51352 1
481 . 1 . 1 110 110 SER C C 13 170.971 . . 1 . . . . . 110 SER CO . 51352 1
482 . 1 . 1 110 110 SER CA C 13 57.2275 . . 1 . . . . . 110 SER CA . 51352 1
483 . 1 . 1 110 110 SER CB C 13 67.063 . . 1 . . . . . 110 SER CB . 51352 1
484 . 1 . 1 110 110 SER N N 15 120.173 . . 1 . . . . . 110 SER N . 51352 1
485 . 1 . 1 111 111 PHE H H 1 9.652 . . 1 . . . . . 111 PHE H . 51352 1
486 . 1 . 1 111 111 PHE C C 13 173.3095 . . 1 . . . . . 111 PHE CO . 51352 1
487 . 1 . 1 111 111 PHE CA C 13 56.275 . . 1 . . . . . 111 PHE CA . 51352 1
488 . 1 . 1 111 111 PHE CB C 13 42.4475 . . 1 . . . . . 111 PHE CB . 51352 1
489 . 1 . 1 111 111 PHE N N 15 119.196 . . 1 . . . . . 111 PHE N . 51352 1
490 . 1 . 1 112 112 GLU H H 1 8.99 . . 1 . . . . . 112 GLU H . 51352 1
491 . 1 . 1 112 112 GLU C C 13 176.4725 . . 1 . . . . . 112 GLU CO . 51352 1
492 . 1 . 1 112 112 GLU CA C 13 53.3425 . . 1 . . . . . 112 GLU CA . 51352 1
493 . 1 . 1 112 112 GLU CB C 13 31.985 . . 1 . . . . . 112 GLU CB . 51352 1
494 . 1 . 1 112 112 GLU N N 15 126.024 . . 1 . . . . . 112 GLU N . 51352 1
495 . 1 . 1 113 113 SER H H 1 8.76 . . 1 . . . . . 113 SER H . 51352 1
496 . 1 . 1 113 113 SER C C 13 174.8915 . . 1 . . . . . 113 SER CO . 51352 1
497 . 1 . 1 113 113 SER CA C 13 58.4915 . . 1 . . . . . 113 SER CA . 51352 1
498 . 1 . 1 113 113 SER CB C 13 62.424 . . 1 . . . . . 113 SER CB . 51352 1
499 . 1 . 1 113 113 SER N N 15 120.853 . . 1 . . . . . 113 SER N . 51352 1
500 . 1 . 1 114 114 ALA H H 1 8.107 . . 1 . . . . . 114 ALA H . 51352 1
501 . 1 . 1 114 114 ALA C C 13 178.747 . . 1 . . . . . 114 ALA CO . 51352 1
502 . 1 . 1 114 114 ALA CA C 13 53.5845 . . 1 . . . . . 114 ALA CA . 51352 1
503 . 1 . 1 114 114 ALA CB C 13 19.0855 . . 1 . . . . . 114 ALA CB . 51352 1
504 . 1 . 1 114 114 ALA N N 15 128.519 . . 1 . . . . . 114 ALA N . 51352 1
505 . 1 . 1 115 115 ALA H H 1 7.006 . . 1 . . . . . 115 ALA H . 51352 1
506 . 1 . 1 115 115 ALA C C 13 176.758 . . 1 . . . . . 115 ALA CO . 51352 1
507 . 1 . 1 115 115 ALA CA C 13 52.602 . . 1 . . . . . 115 ALA CA . 51352 1
508 . 1 . 1 115 115 ALA CB C 13 19.904 . . 1 . . . . . 115 ALA CB . 51352 1
509 . 1 . 1 115 115 ALA N N 15 116.019 . . 1 . . . . . 115 ALA N . 51352 1
510 . 1 . 1 116 116 CYS H H 1 7.694 . . 1 . . . . . 116 CYS H . 51352 1
511 . 1 . 1 116 116 CYS C C 13 168.884 . . 1 . . . . . 116 CYS CO . 51352 1
512 . 1 . 1 116 116 CYS CA C 13 49.889 . . 1 . . . . . 116 CYS CA . 51352 1
513 . 1 . 1 116 116 CYS CB C 13 46.189 . . 1 . . . . . 116 CYS CB . 51352 1
514 . 1 . 1 116 116 CYS N N 15 118.021 . . 1 . . . . . 116 CYS N . 51352 1
515 . 1 . 1 117 117 PRO C C 13 178.738 . . 1 . . . . . 117 PRO CO . 51352 1
516 . 1 . 1 117 117 PRO CA C 13 64.181 . . 1 . . . . . 117 PRO CA . 51352 1
517 . 1 . 1 117 117 PRO CB C 13 31.355 . . 1 . . . . . 117 PRO CB . 51352 1
518 . 1 . 1 118 118 GLY H H 1 10.11 . . 1 . . . . . 118 GLY H . 51352 1
519 . 1 . 1 118 118 GLY C C 13 173.069 . . 1 . . . . . 118 GLY CO . 51352 1
520 . 1 . 1 118 118 GLY CA C 13 44.5805 . . 1 . . . . . 118 GLY CA . 51352 1
521 . 1 . 1 118 118 GLY N N 15 112.99 . . 1 . . . . . 118 GLY N . 51352 1
522 . 1 . 1 119 119 TRP H H 1 8.043 . . 1 . . . . . 119 TRP H . 51352 1
523 . 1 . 1 119 119 TRP C C 13 174.626 . . 1 . . . . . 119 TRP CO . 51352 1
524 . 1 . 1 119 119 TRP CA C 13 56.566 . . 1 . . . . . 119 TRP CA . 51352 1
525 . 1 . 1 119 119 TRP CB C 13 28.3805 . . 1 . . . . . 119 TRP CB . 51352 1
526 . 1 . 1 119 119 TRP N N 15 119.752 . . 1 . . . . . 119 TRP N . 51352 1
527 . 1 . 1 120 120 PHE H H 1 9.288 . . 1 . . . . . 120 PHE H . 51352 1
528 . 1 . 1 120 120 PHE C C 13 176.9155 . . 1 . . . . . 120 PHE CO . 51352 1
529 . 1 . 1 120 120 PHE CA C 13 56.37 . . 1 . . . . . 120 PHE CA . 51352 1
530 . 1 . 1 120 120 PHE CB C 13 41.9335 . . 1 . . . . . 120 PHE CB . 51352 1
531 . 1 . 1 120 120 PHE N N 15 121.523 . . 1 . . . . . 120 PHE N . 51352 1
532 . 1 . 1 121 121 LEU H H 1 8.824 . . 1 . . . . . 121 LEU H . 51352 1
533 . 1 . 1 121 121 LEU C C 13 176.54 . . 1 . . . . . 121 LEU CO . 51352 1
534 . 1 . 1 121 121 LEU CA C 13 56.66 . . 1 . . . . . 121 LEU CA . 51352 1
535 . 1 . 1 121 121 LEU CB C 13 44.3125 . . 1 . . . . . 121 LEU CB . 51352 1
536 . 1 . 1 121 121 LEU N N 15 124.311 . . 1 . . . . . 121 LEU N . 51352 1
537 . 1 . 1 122 122 ALA H H 1 8.774 . . 1 . . . . . 122 ALA H . 51352 1
538 . 1 . 1 122 122 ALA C C 13 175.7285 . . 1 . . . . . 122 ALA CO . 51352 1
539 . 1 . 1 122 122 ALA CA C 13 51.0715 . . 1 . . . . . 122 ALA CA . 51352 1
540 . 1 . 1 122 122 ALA CB C 13 25.6595 . . 1 . . . . . 122 ALA CB . 51352 1
541 . 1 . 1 122 122 ALA N N 15 126.594 . . 1 . . . . . 122 ALA N . 51352 1
542 . 1 . 1 123 123 THR H H 1 9.246 . . 1 . . . . . 123 THR H . 51352 1
543 . 1 . 1 123 123 THR C C 13 174.1795 . . 1 . . . . . 123 THR CO . 51352 1
544 . 1 . 1 123 123 THR CA C 13 57.9575 . . 1 . . . . . 123 THR CA . 51352 1
545 . 1 . 1 123 123 THR CB C 13 70.5795 . . 1 . . . . . 123 THR CB . 51352 1
546 . 1 . 1 123 123 THR N N 15 109.778 . . 1 . . . . . 123 THR N . 51352 1
547 . 1 . 1 124 124 ALA H H 1 9.319 . . 1 . . . . . 124 ALA H . 51352 1
548 . 1 . 1 124 124 ALA C C 13 177.7905 . . 1 . . . . . 124 ALA CO . 51352 1
549 . 1 . 1 124 124 ALA CA C 13 50.5455 . . 1 . . . . . 124 ALA CA . 51352 1
550 . 1 . 1 124 124 ALA CB C 13 19.677 . . 1 . . . . . 124 ALA CB . 51352 1
551 . 1 . 1 124 124 ALA N N 15 122.627 . . 1 . . . . . 124 ALA N . 51352 1
552 . 1 . 1 125 125 MET H H 1 8.458 . . 1 . . . . . 125 MET H . 51352 1
553 . 1 . 1 125 125 MET C C 13 178.861 . . 1 . . . . . 125 MET CO . 51352 1
554 . 1 . 1 125 125 MET CA C 13 57.177 . . 1 . . . . . 125 MET CA . 51352 1
555 . 1 . 1 125 125 MET CB C 13 31.696 . . 1 . . . . . 125 MET CB . 51352 1
556 . 1 . 1 125 125 MET N N 15 117.224 . . 1 . . . . . 125 MET N . 51352 1
557 . 1 . 1 126 126 GLU C C 13 175.506 . . 1 . . . . . 126 GLU CO . 51352 1
558 . 1 . 1 126 126 GLU CA C 13 56.087 . . 1 . . . . . 126 GLU CA . 51352 1
559 . 1 . 1 126 126 GLU CB C 13 30.48 . . 1 . . . . . 126 GLU CB . 51352 1
560 . 1 . 1 127 127 ALA H H 1 8.748 . . 1 . . . . . 127 ALA H . 51352 1
561 . 1 . 1 127 127 ALA C C 13 176.509 . . 1 . . . . . 127 ALA CO . 51352 1
562 . 1 . 1 127 127 ALA CA C 13 53.1285 . . 1 . . . . . 127 ALA CA . 51352 1
563 . 1 . 1 127 127 ALA CB C 13 20.3935 . . 1 . . . . . 127 ALA CB . 51352 1
564 . 1 . 1 127 127 ALA N N 15 123.347 . . 1 . . . . . 127 ALA N . 51352 1
565 . 1 . 1 128 128 ASP H H 1 8.591 . . 1 . . . . . 128 ASP H . 51352 1
566 . 1 . 1 128 128 ASP C C 13 173.9345 . . 1 . . . . . 128 ASP CO . 51352 1
567 . 1 . 1 128 128 ASP CA C 13 56.3395 . . 1 . . . . . 128 ASP CA . 51352 1
568 . 1 . 1 128 128 ASP CB C 13 38.7155 . . 1 . . . . . 128 ASP CB . 51352 1
569 . 1 . 1 128 128 ASP N N 15 114.633 . . 1 . . . . . 128 ASP N . 51352 1
570 . 1 . 1 129 129 GLN H H 1 8.451 . . 1 . . . . . 129 GLN H . 51352 1
571 . 1 . 1 129 129 GLN C C 13 173.456 . . 1 . . . . . 129 GLN CO . 51352 1
572 . 1 . 1 129 129 GLN CA C 13 51.958 . . 1 . . . . . 129 GLN CA . 51352 1
573 . 1 . 1 129 129 GLN CB C 13 28.356 . . 1 . . . . . 129 GLN CB . 51352 1
574 . 1 . 1 129 129 GLN N N 15 116.579 . . 1 . . . . . 129 GLN N . 51352 1
575 . 1 . 1 130 130 PRO C C 13 178.475 . . 1 . . . . . 130 PRO CO . 51352 1
576 . 1 . 1 130 130 PRO CA C 13 63.045 . . 1 . . . . . 130 PRO CA . 51352 1
577 . 1 . 1 130 130 PRO CB C 13 31.976 . . 1 . . . . . 130 PRO CB . 51352 1
578 . 1 . 1 131 131 VAL H H 1 8.115 . . 1 . . . . . 131 VAL H . 51352 1
579 . 1 . 1 131 131 VAL C C 13 175.5945 . . 1 . . . . . 131 VAL CO . 51352 1
580 . 1 . 1 131 131 VAL CA C 13 64.0655 . . 1 . . . . . 131 VAL CA . 51352 1
581 . 1 . 1 131 131 VAL CB C 13 31.3865 . . 1 . . . . . 131 VAL CB . 51352 1
582 . 1 . 1 131 131 VAL N N 15 127.215 . . 1 . . . . . 131 VAL N . 51352 1
583 . 1 . 1 132 132 SER H H 1 9.151 . . 1 . . . . . 132 SER H . 51352 1
584 . 1 . 1 132 132 SER C C 13 172.6225 . . 1 . . . . . 132 SER CO . 51352 1
585 . 1 . 1 132 132 SER CA C 13 56.6775 . . 1 . . . . . 132 SER CA . 51352 1
586 . 1 . 1 132 132 SER CB C 13 65.7465 . . 1 . . . . . 132 SER CB . 51352 1
587 . 1 . 1 132 132 SER N N 15 123.268 . . 1 . . . . . 132 SER N . 51352 1
588 . 1 . 1 133 133 LEU H H 1 8.279 . . 1 . . . . . 133 LEU H . 51352 1
589 . 1 . 1 133 133 LEU C C 13 177.1805 . . 1 . . . . . 133 LEU CO . 51352 1
590 . 1 . 1 133 133 LEU CA C 13 53.2385 . . 1 . . . . . 133 LEU CA . 51352 1
591 . 1 . 1 133 133 LEU CB C 13 48.044 . . 1 . . . . . 133 LEU CB . 51352 1
592 . 1 . 1 133 133 LEU N N 15 117.061 . . 1 . . . . . 133 LEU N . 51352 1
593 . 1 . 1 134 134 THR H H 1 9.343 . . 1 . . . . . 134 THR H . 51352 1
594 . 1 . 1 134 134 THR C C 13 171.287 . . 1 . . . . . 134 THR CO . 51352 1
595 . 1 . 1 134 134 THR CA C 13 60.297 . . 1 . . . . . 134 THR CA . 51352 1
596 . 1 . 1 134 134 THR CB C 13 69.967 . . 1 . . . . . 134 THR CB . 51352 1
597 . 1 . 1 134 134 THR N N 15 113.888 . . 1 . . . . . 134 THR N . 51352 1
598 . 1 . 1 135 135 ASN H H 1 7.281 . . 1 . . . . . 135 ASN H . 51352 1
599 . 1 . 1 135 135 ASN C C 13 175.159 . . 1 . . . . . 135 ASN CO . 51352 1
600 . 1 . 1 135 135 ASN CA C 13 51.022 . . 1 . . . . . 135 ASN CA . 51352 1
601 . 1 . 1 135 135 ASN CB C 13 35.4325 . . 1 . . . . . 135 ASN CB . 51352 1
602 . 1 . 1 135 135 ASN N N 15 126.694 . . 1 . . . . . 135 ASN N . 51352 1
603 . 1 . 1 136 136 MET H H 1 8.087 . . 1 . . . . . 136 MET H . 51352 1
604 . 1 . 1 136 136 MET C C 13 174.209 . . 1 . . . . . 136 MET CO . 51352 1
605 . 1 . 1 136 136 MET CA C 13 52.81 . . 1 . . . . . 136 MET CA . 51352 1
606 . 1 . 1 136 136 MET CB C 13 32.938 . . 1 . . . . . 136 MET CB . 51352 1
607 . 1 . 1 136 136 MET N N 15 119.231 . . 1 . . . . . 136 MET N . 51352 1
608 . 1 . 1 137 137 PRO C C 13 176.975 . . 1 . . . . . 137 PRO CO . 51352 1
609 . 1 . 1 137 137 PRO CA C 13 64.421 . . 1 . . . . . 137 PRO CA . 51352 1
610 . 1 . 1 137 137 PRO CB C 13 31.755 . . 1 . . . . . 137 PRO CB . 51352 1
611 . 1 . 1 138 138 ASP H H 1 8.378 . . 1 . . . . . 138 ASP H . 51352 1
612 . 1 . 1 138 138 ASP C C 13 176.2835 . . 1 . . . . . 138 ASP CO . 51352 1
613 . 1 . 1 138 138 ASP CA C 13 54.7195 . . 1 . . . . . 138 ASP CA . 51352 1
614 . 1 . 1 138 138 ASP CB C 13 40.8775 . . 1 . . . . . 138 ASP CB . 51352 1
615 . 1 . 1 138 138 ASP N N 15 117.521 . . 1 . . . . . 138 ASP N . 51352 1
616 . 1 . 1 139 139 GLU H H 1 7.449 . . 1 . . . . . 139 GLU H . 51352 1
617 . 1 . 1 139 139 GLU C C 13 176.9715 . . 1 . . . . . 139 GLU CO . 51352 1
618 . 1 . 1 139 139 GLU CA C 13 57.064 . . 1 . . . . . 139 GLU CA . 51352 1
619 . 1 . 1 139 139 GLU CB C 13 30.3805 . . 1 . . . . . 139 GLU CB . 51352 1
620 . 1 . 1 139 139 GLU N N 15 118.55 . . 1 . . . . . 139 GLU N . 51352 1
621 . 1 . 1 140 140 GLY H H 1 8.096 . . 1 . . . . . 140 GLY H . 51352 1
622 . 1 . 1 140 140 GLY C C 13 174.216 . . 1 . . . . . 140 GLY CO . 51352 1
623 . 1 . 1 140 140 GLY CA C 13 45.746 . . 1 . . . . . 140 GLY CA . 51352 1
624 . 1 . 1 140 140 GLY N N 15 106.8 . . 1 . . . . . 140 GLY N . 51352 1
625 . 1 . 1 141 141 VAL H H 1 7.63 . . 1 . . . . . 141 VAL H . 51352 1
626 . 1 . 1 141 141 VAL C C 13 175.48 . . 1 . . . . . 141 VAL CO . 51352 1
627 . 1 . 1 141 141 VAL CA C 13 63.042 . . 1 . . . . . 141 VAL CA . 51352 1
628 . 1 . 1 141 141 VAL CB C 13 32.5375 . . 1 . . . . . 141 VAL CB . 51352 1
629 . 1 . 1 141 141 VAL N N 15 116.031 . . 1 . . . . . 141 VAL N . 51352 1
630 . 1 . 1 142 142 MET H H 1 7.898 . . 1 . . . . . 142 MET H . 51352 1
631 . 1 . 1 142 142 MET C C 13 175.008 . . 1 . . . . . 142 MET CO . 51352 1
632 . 1 . 1 142 142 MET CA C 13 53.7425 . . 1 . . . . . 142 MET CA . 51352 1
633 . 1 . 1 142 142 MET CB C 13 35.881 . . 1 . . . . . 142 MET CB . 51352 1
634 . 1 . 1 142 142 MET N N 15 117.459 . . 1 . . . . . 142 MET N . 51352 1
635 . 1 . 1 143 143 VAL H H 1 9.614 . . 1 . . . . . 143 VAL H . 51352 1
636 . 1 . 1 143 143 VAL C C 13 176.106 . . 1 . . . . . 143 VAL CO . 51352 1
637 . 1 . 1 143 143 VAL CA C 13 62.6935 . . 1 . . . . . 143 VAL CA . 51352 1
638 . 1 . 1 143 143 VAL CB C 13 30.9975 . . 1 . . . . . 143 VAL CB . 51352 1
639 . 1 . 1 143 143 VAL N N 15 125.014 . . 1 . . . . . 143 VAL N . 51352 1
640 . 1 . 1 144 144 THR H H 1 8.274 . . 1 . . . . . 144 THR H . 51352 1
641 . 1 . 1 144 144 THR C C 13 174.201 . . 1 . . . . . 144 THR CO . 51352 1
642 . 1 . 1 144 144 THR CA C 13 60.2485 . . 1 . . . . . 144 THR CA . 51352 1
643 . 1 . 1 144 144 THR CB C 13 69.623 . . 1 . . . . . 144 THR CB . 51352 1
644 . 1 . 1 144 144 THR N N 15 111.423 . . 1 . . . . . 144 THR N . 51352 1
645 . 1 . 1 145 145 LYS H H 1 6.591 . . 1 . . . . . 145 LYS H . 51352 1
646 . 1 . 1 145 145 LYS C C 13 173.22 . . 1 . . . . . 145 LYS CO . 51352 1
647 . 1 . 1 145 145 LYS CA C 13 55.506 . . 1 . . . . . 145 LYS CA . 51352 1
648 . 1 . 1 145 145 LYS CB C 13 35.479 . . 1 . . . . . 145 LYS CB . 51352 1
649 . 1 . 1 145 145 LYS N N 15 122.743 . . 1 . . . . . 145 LYS N . 51352 1
650 . 1 . 1 146 146 PHE H H 1 8.799 . . 1 . . . . . 146 PHE H . 51352 1
651 . 1 . 1 146 146 PHE C C 13 175.258 . . 1 . . . . . 146 PHE CO . 51352 1
652 . 1 . 1 146 146 PHE CA C 13 56.2845 . . 1 . . . . . 146 PHE CA . 51352 1
653 . 1 . 1 146 146 PHE CB C 13 42.273 . . 1 . . . . . 146 PHE CB . 51352 1
654 . 1 . 1 146 146 PHE N N 15 117.675 . . 1 . . . . . 146 PHE N . 51352 1
655 . 1 . 1 147 147 TYR H H 1 9.373 . . 1 . . . . . 147 TYR H . 51352 1
656 . 1 . 1 147 147 TYR C C 13 174.2035 . . 1 . . . . . 147 TYR CO . 51352 1
657 . 1 . 1 147 147 TYR CA C 13 58.255 . . 1 . . . . . 147 TYR CA . 51352 1
658 . 1 . 1 147 147 TYR CB C 13 37.8025 . . 1 . . . . . 147 TYR CB . 51352 1
659 . 1 . 1 147 147 TYR N N 15 121.448 . . 1 . . . . . 147 TYR N . 51352 1
660 . 1 . 1 148 148 PHE H H 1 8.616 . . 1 . . . . . 148 PHE H . 51352 1
661 . 1 . 1 148 148 PHE C C 13 174.5995 . . 1 . . . . . 148 PHE CO . 51352 1
662 . 1 . 1 148 148 PHE CA C 13 55.8525 . . 1 . . . . . 148 PHE CA . 51352 1
663 . 1 . 1 148 148 PHE CB C 13 42.198 . . 1 . . . . . 148 PHE CB . 51352 1
664 . 1 . 1 148 148 PHE N N 15 126.88 . . 1 . . . . . 148 PHE N . 51352 1
665 . 1 . 1 149 149 GLN H H 1 8.663 . . 1 . . . . . 149 GLN H . 51352 1
666 . 1 . 1 149 149 GLN C C 13 173.758 . . 1 . . . . . 149 GLN CO . 51352 1
667 . 1 . 1 149 149 GLN CA C 13 54.3805 . . 1 . . . . . 149 GLN CA . 51352 1
668 . 1 . 1 149 149 GLN CB C 13 32.9495 . . 1 . . . . . 149 GLN CB . 51352 1
669 . 1 . 1 149 149 GLN N N 15 125.025 . . 1 . . . . . 149 GLN N . 51352 1
670 . 1 . 1 150 150 GLU H H 1 9.108 . . 1 . . . . . 150 GLU H . 51352 1
671 . 1 . 1 150 150 GLU C C 13 176.138 . . 1 . . . . . 150 GLU CO . 51352 1
672 . 1 . 1 150 150 GLU CA C 13 58.1345 . . 1 . . . . . 150 GLU CA . 51352 1
673 . 1 . 1 150 150 GLU CB C 13 29.2255 . . 1 . . . . . 150 GLU CB . 51352 1
674 . 1 . 1 150 150 GLU N N 15 128.51 . . 1 . . . . . 150 GLU N . 51352 1
675 . 1 . 1 151 151 ASP H H 1 8.41 . . 1 . . . . . 151 ASP H . 51352 1
676 . 1 . 1 151 151 ASP C C 13 174.4195 . . 1 . . . . . 151 ASP CO . 51352 1
677 . 1 . 1 151 151 ASP CA C 13 54.0765 . . 1 . . . . . 151 ASP CA . 51352 1
678 . 1 . 1 151 151 ASP CB C 13 42.432 . . 1 . . . . . 151 ASP CB . 51352 1
679 . 1 . 1 151 151 ASP N N 15 125.622 . . 1 . . . . . 151 ASP N . 51352 1
680 . 1 . 1 152 152 GLU H H 1 7.665 . . 1 . . . . . 152 GLU H . 51352 1
681 . 1 . 1 152 152 GLU C C 13 180.694 . . 1 . . . . . 152 GLU CO . 51352 1
682 . 1 . 1 152 152 GLU CA C 13 57.791 . . 1 . . . . . 152 GLU CA . 51352 1
683 . 1 . 1 152 152 GLU CB C 13 31.58 . . 1 . . . . . 152 GLU CB . 51352 1
684 . 1 . 1 152 152 GLU N N 15 126.836 . . 1 . . . . . 152 GLU N . 51352 1
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