data_52309
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52309
_Entry.Title
;
Backbone assignment of a Tau fragment (272-441) from Tau 4R isoforms
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2024-02-06
_Entry.Accession_date 2024-02-06
_Entry.Last_release_date 2024-02-06
_Entry.Original_release_date 2024-02-06
_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 'Tau fragment (272-441) includes R2, R3 and R4 microtubule-binding repeats and the full C-terminal domain'
_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 Lea 'El Hajjar' . L.E.H. . 0009-0008-6476-0742 52309
2 Emmanuelle Boll . E.B. . 0009-0003-8353-1404 52309
3 Francois-Xavier Cantrelle . F.X.C. . 0000-0002-3413-5443 52309
4 Caroline Smet-Nocca . C.S.N. . 0000-0002-9793-0882 52309
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'BSI EMR9002' . 52309
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52309
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 954 52309
'15N chemical shifts' 328 52309
'1H chemical shifts' 640 52309
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 . . 2025-03-25 . original BMRB . 52309
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52309
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID 40121258
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
Effect of PHF-1 hyperphosphorylation on the seeding activity of C-terminal Tau fragments
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Sci. Rep.'
_Citation.Journal_name_full 'Scientific reports'
_Citation.Journal_volume 15
_Citation.Journal_issue 1
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 2045-2322
_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 9975
_Citation.Page_last 9975
_Citation.Year 2025
_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 Lea 'El Hajjar' L. . . . 52309 1
2 Emmanuelle Boll E. . . . 52309 1
3 Francois-Xavier Cantrelle F. X. . . 52309 1
4 Clarisse Bridot C. . . . 52309 1
5 Isabelle Landrieu i. . . . 52309 1
6 Caroline Smet-Nocca C. . . . 52309 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52309
_Assembly.ID 1
_Assembly.Name R2Ct-WT
_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 17947.3892
_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 R2Ct-WT 1 $entity_1 . . yes unfolded no no . . . 52309 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52309
_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
;
GGKVQIINKKLDLSNVQSKC
GSKDNIKHVPGGGSVQIVYK
PVDLSKVTSKCGSLGNIHHK
PGGGQVEVKSEKLDFKDRVQ
SKIGSLDNITHVPGGGNKKI
ETHKLTFRENAKAKTDHGAE
IVYKSPVVSGDTSPRHLSNV
SSTGSIDMVDSPQLATLADE
VSASLAKQGL
;
_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 170
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment R2Ct-wt
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 17947.3892
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 yes UniProt P10636-8 . 'Human Tau (MAPT)' . . . . . . . . . . . . . . 52309 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
"microtubule-associated protein; component of paired helical filaments (PHF) and straight filaments (SF) of Alzheimer's disease" 52309 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . 52309 1
2 . GLY . 52309 1
3 . LYS . 52309 1
4 . VAL . 52309 1
5 . GLN . 52309 1
6 . ILE . 52309 1
7 . ILE . 52309 1
8 . ASN . 52309 1
9 . LYS . 52309 1
10 . LYS . 52309 1
11 . LEU . 52309 1
12 . ASP . 52309 1
13 . LEU . 52309 1
14 . SER . 52309 1
15 . ASN . 52309 1
16 . VAL . 52309 1
17 . GLN . 52309 1
18 . SER . 52309 1
19 . LYS . 52309 1
20 . CYS . 52309 1
21 . GLY . 52309 1
22 . SER . 52309 1
23 . LYS . 52309 1
24 . ASP . 52309 1
25 . ASN . 52309 1
26 . ILE . 52309 1
27 . LYS . 52309 1
28 . HIS . 52309 1
29 . VAL . 52309 1
30 . PRO . 52309 1
31 . GLY . 52309 1
32 . GLY . 52309 1
33 . GLY . 52309 1
34 . SER . 52309 1
35 . VAL . 52309 1
36 . GLN . 52309 1
37 . ILE . 52309 1
38 . VAL . 52309 1
39 . TYR . 52309 1
40 . LYS . 52309 1
41 . PRO . 52309 1
42 . VAL . 52309 1
43 . ASP . 52309 1
44 . LEU . 52309 1
45 . SER . 52309 1
46 . LYS . 52309 1
47 . VAL . 52309 1
48 . THR . 52309 1
49 . SER . 52309 1
50 . LYS . 52309 1
51 . CYS . 52309 1
52 . GLY . 52309 1
53 . SER . 52309 1
54 . LEU . 52309 1
55 . GLY . 52309 1
56 . ASN . 52309 1
57 . ILE . 52309 1
58 . HIS . 52309 1
59 . HIS . 52309 1
60 . LYS . 52309 1
61 . PRO . 52309 1
62 . GLY . 52309 1
63 . GLY . 52309 1
64 . GLY . 52309 1
65 . GLN . 52309 1
66 . VAL . 52309 1
67 . GLU . 52309 1
68 . VAL . 52309 1
69 . LYS . 52309 1
70 . SER . 52309 1
71 . GLU . 52309 1
72 . LYS . 52309 1
73 . LEU . 52309 1
74 . ASP . 52309 1
75 . PHE . 52309 1
76 . LYS . 52309 1
77 . ASP . 52309 1
78 . ARG . 52309 1
79 . VAL . 52309 1
80 . GLN . 52309 1
81 . SER . 52309 1
82 . LYS . 52309 1
83 . ILE . 52309 1
84 . GLY . 52309 1
85 . SER . 52309 1
86 . LEU . 52309 1
87 . ASP . 52309 1
88 . ASN . 52309 1
89 . ILE . 52309 1
90 . THR . 52309 1
91 . HIS . 52309 1
92 . VAL . 52309 1
93 . PRO . 52309 1
94 . GLY . 52309 1
95 . GLY . 52309 1
96 . GLY . 52309 1
97 . ASN . 52309 1
98 . LYS . 52309 1
99 . LYS . 52309 1
100 . ILE . 52309 1
101 . GLU . 52309 1
102 . THR . 52309 1
103 . HIS . 52309 1
104 . LYS . 52309 1
105 . LEU . 52309 1
106 . THR . 52309 1
107 . PHE . 52309 1
108 . ARG . 52309 1
109 . GLU . 52309 1
110 . ASN . 52309 1
111 . ALA . 52309 1
112 . LYS . 52309 1
113 . ALA . 52309 1
114 . LYS . 52309 1
115 . THR . 52309 1
116 . ASP . 52309 1
117 . HIS . 52309 1
118 . GLY . 52309 1
119 . ALA . 52309 1
120 . GLU . 52309 1
121 . ILE . 52309 1
122 . VAL . 52309 1
123 . TYR . 52309 1
124 . LYS . 52309 1
125 . SER . 52309 1
126 . PRO . 52309 1
127 . VAL . 52309 1
128 . VAL . 52309 1
129 . SER . 52309 1
130 . GLY . 52309 1
131 . ASP . 52309 1
132 . THR . 52309 1
133 . SER . 52309 1
134 . PRO . 52309 1
135 . ARG . 52309 1
136 . HIS . 52309 1
137 . LEU . 52309 1
138 . SER . 52309 1
139 . ASN . 52309 1
140 . VAL . 52309 1
141 . SER . 52309 1
142 . SER . 52309 1
143 . THR . 52309 1
144 . GLY . 52309 1
145 . SER . 52309 1
146 . ILE . 52309 1
147 . ASP . 52309 1
148 . MET . 52309 1
149 . VAL . 52309 1
150 . ASP . 52309 1
151 . SER . 52309 1
152 . PRO . 52309 1
153 . GLN . 52309 1
154 . LEU . 52309 1
155 . ALA . 52309 1
156 . THR . 52309 1
157 . LEU . 52309 1
158 . ALA . 52309 1
159 . ASP . 52309 1
160 . GLU . 52309 1
161 . VAL . 52309 1
162 . SER . 52309 1
163 . ALA . 52309 1
164 . SER . 52309 1
165 . LEU . 52309 1
166 . ALA . 52309 1
167 . LYS . 52309 1
168 . GLN . 52309 1
169 . GLY . 52309 1
170 . LEU . 52309 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 52309 1
. GLY 2 2 52309 1
. LYS 3 3 52309 1
. VAL 4 4 52309 1
. GLN 5 5 52309 1
. ILE 6 6 52309 1
. ILE 7 7 52309 1
. ASN 8 8 52309 1
. LYS 9 9 52309 1
. LYS 10 10 52309 1
. LEU 11 11 52309 1
. ASP 12 12 52309 1
. LEU 13 13 52309 1
. SER 14 14 52309 1
. ASN 15 15 52309 1
. VAL 16 16 52309 1
. GLN 17 17 52309 1
. SER 18 18 52309 1
. LYS 19 19 52309 1
. CYS 20 20 52309 1
. GLY 21 21 52309 1
. SER 22 22 52309 1
. LYS 23 23 52309 1
. ASP 24 24 52309 1
. ASN 25 25 52309 1
. ILE 26 26 52309 1
. LYS 27 27 52309 1
. HIS 28 28 52309 1
. VAL 29 29 52309 1
. PRO 30 30 52309 1
. GLY 31 31 52309 1
. GLY 32 32 52309 1
. GLY 33 33 52309 1
. SER 34 34 52309 1
. VAL 35 35 52309 1
. GLN 36 36 52309 1
. ILE 37 37 52309 1
. VAL 38 38 52309 1
. TYR 39 39 52309 1
. LYS 40 40 52309 1
. PRO 41 41 52309 1
. VAL 42 42 52309 1
. ASP 43 43 52309 1
. LEU 44 44 52309 1
. SER 45 45 52309 1
. LYS 46 46 52309 1
. VAL 47 47 52309 1
. THR 48 48 52309 1
. SER 49 49 52309 1
. LYS 50 50 52309 1
. CYS 51 51 52309 1
. GLY 52 52 52309 1
. SER 53 53 52309 1
. LEU 54 54 52309 1
. GLY 55 55 52309 1
. ASN 56 56 52309 1
. ILE 57 57 52309 1
. HIS 58 58 52309 1
. HIS 59 59 52309 1
. LYS 60 60 52309 1
. PRO 61 61 52309 1
. GLY 62 62 52309 1
. GLY 63 63 52309 1
. GLY 64 64 52309 1
. GLN 65 65 52309 1
. VAL 66 66 52309 1
. GLU 67 67 52309 1
. VAL 68 68 52309 1
. LYS 69 69 52309 1
. SER 70 70 52309 1
. GLU 71 71 52309 1
. LYS 72 72 52309 1
. LEU 73 73 52309 1
. ASP 74 74 52309 1
. PHE 75 75 52309 1
. LYS 76 76 52309 1
. ASP 77 77 52309 1
. ARG 78 78 52309 1
. VAL 79 79 52309 1
. GLN 80 80 52309 1
. SER 81 81 52309 1
. LYS 82 82 52309 1
. ILE 83 83 52309 1
. GLY 84 84 52309 1
. SER 85 85 52309 1
. LEU 86 86 52309 1
. ASP 87 87 52309 1
. ASN 88 88 52309 1
. ILE 89 89 52309 1
. THR 90 90 52309 1
. HIS 91 91 52309 1
. VAL 92 92 52309 1
. PRO 93 93 52309 1
. GLY 94 94 52309 1
. GLY 95 95 52309 1
. GLY 96 96 52309 1
. ASN 97 97 52309 1
. LYS 98 98 52309 1
. LYS 99 99 52309 1
. ILE 100 100 52309 1
. GLU 101 101 52309 1
. THR 102 102 52309 1
. HIS 103 103 52309 1
. LYS 104 104 52309 1
. LEU 105 105 52309 1
. THR 106 106 52309 1
. PHE 107 107 52309 1
. ARG 108 108 52309 1
. GLU 109 109 52309 1
. ASN 110 110 52309 1
. ALA 111 111 52309 1
. LYS 112 112 52309 1
. ALA 113 113 52309 1
. LYS 114 114 52309 1
. THR 115 115 52309 1
. ASP 116 116 52309 1
. HIS 117 117 52309 1
. GLY 118 118 52309 1
. ALA 119 119 52309 1
. GLU 120 120 52309 1
. ILE 121 121 52309 1
. VAL 122 122 52309 1
. TYR 123 123 52309 1
. LYS 124 124 52309 1
. SER 125 125 52309 1
. PRO 126 126 52309 1
. VAL 127 127 52309 1
. VAL 128 128 52309 1
. SER 129 129 52309 1
. GLY 130 130 52309 1
. ASP 131 131 52309 1
. THR 132 132 52309 1
. SER 133 133 52309 1
. PRO 134 134 52309 1
. ARG 135 135 52309 1
. HIS 136 136 52309 1
. LEU 137 137 52309 1
. SER 138 138 52309 1
. ASN 139 139 52309 1
. VAL 140 140 52309 1
. SER 141 141 52309 1
. SER 142 142 52309 1
. THR 143 143 52309 1
. GLY 144 144 52309 1
. SER 145 145 52309 1
. ILE 146 146 52309 1
. ASP 147 147 52309 1
. MET 148 148 52309 1
. VAL 149 149 52309 1
. ASP 150 150 52309 1
. SER 151 151 52309 1
. PRO 152 152 52309 1
. GLN 153 153 52309 1
. LEU 154 154 52309 1
. ALA 155 155 52309 1
. THR 156 156 52309 1
. LEU 157 157 52309 1
. ALA 158 158 52309 1
. ASP 159 159 52309 1
. GLU 160 160 52309 1
. VAL 161 161 52309 1
. SER 162 162 52309 1
. ALA 163 163 52309 1
. SER 164 164 52309 1
. LEU 165 165 52309 1
. ALA 166 166 52309 1
. LYS 167 167 52309 1
. GLN 168 168 52309 1
. GLY 169 169 52309 1
. LEU 170 170 52309 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 52309
_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 . . . . . . . . . . . MAPT . 52309 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 52309
_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 BL21(DE3) . plasmid . . pET15b . . . 52309 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52309
_Sample.ID 1
_Sample.Name Tau-R2Ct-WT
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
25 mM sodium phosphate buffer pH 6.6, 50 mM NaCl, 2.5 mM ethylenediamine tetraacetic acid (EDTA),
1 mM dithiothreitol (DTT), 5% D2O, 1 mM sodium 3-trimethylsilyl-3,3',2,2'-d4-propionate.
;
_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 R2Ct-WT '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.300 . . mM . . . . 52309 1
2 NaPi 'natural abundance' . . . . . . 25 . . mM . . . . 52309 1
3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52309 1
4 EDTA 'natural abundance' . . . . . . 2.5 . . mM . . . . 52309 1
5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52309 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 52309
_Sample_condition_list.ID 1
_Sample_condition_list.Name Condition1
_Sample_condition_list.Details '25mM NaPi, 50mM NaCl, 2.5 mM EDTA, 1mM DTT'
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.092 . M 52309 1
pH 6.600 . pH 52309 1
pressure 1.000 . atm 52309 1
temperature 293.000 . K 52309 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52309
_Software.ID 1
_Software.Type .
_Software.Name 'CcpNmr Analysis'
_Software.Version 2.5
_Software.DOI .
_Software.Details 'The CCPN NMR assignment and data analysis application'
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'peak picking' . 52309 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52309
_Software.ID 2
_Software.Type .
_Software.Name TOPSPIN
_Software.Version 4.3.1
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
acquisition . 52309 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 52309
_Software.ID 3
_Software.Type .
_Software.Name qMDD
_Software.Version 2.6
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 52309 3
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 52309
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 900MHz
_NMR_spectrometer.Details US2
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_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 52309
_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 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52309 1
2 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52309 1
3 '2D 1H-15N HSQC/HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52309 1
4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52309 1
5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52309 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 52309
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name 'chemical shift reference 1'
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 TMS 'methyl protons' . . . . ppm 0.0 na indirect 0.251449530 . . . . . 52309 1
H 1 TMS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . 52309 1
N 15 TMS 'methyl protons' . . . . ppm 0.0 na indirect 0.101329118 . . . . . 52309 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 52309
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'assigned chem shift list'
_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 '3D HN(CO)CACB' . . . 52309 1
2 '3D HN(CA)CO' . . . 52309 1
3 '2D 1H-15N HSQC/HMQC' . . . 52309 1
4 '3D HNCO' . . . 52309 1
5 '3D HNCACB' . . . 52309 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 . . 52309 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 GLY C C 13 173.866 0.005 . 1 . . 967 . . 2 GLY C . 52309 1
2 . 1 . 1 2 2 GLY CA C 13 44.931 . . 1 . . 966 . . 2 GLY CA . 52309 1
3 . 1 . 1 3 3 LYS H H 1 8.399 0.003 . 1 . . 147 . . 3 LYS H . 52309 1
4 . 1 . 1 3 3 LYS HA H 1 4.353 0.001 . 1 . . 965 . . 3 LYS HA . 52309 1
5 . 1 . 1 3 3 LYS C C 13 176.734 0.007 . 1 . . 744 . . 3 LYS C . 52309 1
6 . 1 . 1 3 3 LYS CA C 13 56.373 0.005 . 1 . . 742 . . 3 LYS CA . 52309 1
7 . 1 . 1 3 3 LYS CB C 13 33.211 0.009 . 1 . . 743 . . 3 LYS CB . 52309 1
8 . 1 . 1 3 3 LYS N N 15 121.459 0.012 . 1 . . 148 . . 3 LYS N . 52309 1
9 . 1 . 1 4 4 VAL H H 1 8.276 0.001 . 1 . . 263 . . 4 VAL H . 52309 1
10 . 1 . 1 4 4 VAL HA H 1 4.079 0.003 . 1 . . 964 . . 4 VAL HA . 52309 1
11 . 1 . 1 4 4 VAL C C 13 175.937 0.007 . 1 . . 741 . . 4 VAL C . 52309 1
12 . 1 . 1 4 4 VAL CA C 13 62.418 0.01 . 1 . . 740 . . 4 VAL CA . 52309 1
13 . 1 . 1 4 4 VAL CB C 13 32.951 0.045 . 1 . . 739 . . 4 VAL CB . 52309 1
14 . 1 . 1 4 4 VAL N N 15 122.714 0.008 . 1 . . 264 . . 4 VAL N . 52309 1
15 . 1 . 1 5 5 GLN H H 1 8.553 0.001 . 1 . . 734 . . 5 GLN H . 52309 1
16 . 1 . 1 5 5 GLN HA H 1 4.374 0.001 . 1 . . 963 . . 5 GLN HA . 52309 1
17 . 1 . 1 5 5 GLN C C 13 175.490 0.005 . 1 . . 738 . . 5 GLN C . 52309 1
18 . 1 . 1 5 5 GLN CA C 13 55.555 0.039 . 1 . . 736 . . 5 GLN CA . 52309 1
19 . 1 . 1 5 5 GLN CB C 13 29.705 0.034 . 1 . . 737 . . 5 GLN CB . 52309 1
20 . 1 . 1 5 5 GLN N N 15 125.516 0.007 . 1 . . 735 . . 5 GLN N . 52309 1
21 . 1 . 1 6 6 ILE H H 1 8.369 0.002 . 1 . . 255 . . 6 ILE H . 52309 1
22 . 1 . 1 6 6 ILE HA H 1 4.148 0.001 . 1 . . 962 . . 6 ILE HA . 52309 1
23 . 1 . 1 6 6 ILE C C 13 176.063 0.003 . 1 . . 733 . . 6 ILE C . 52309 1
24 . 1 . 1 6 6 ILE CA C 13 61.008 0.03 . 1 . . 732 . . 6 ILE CA . 52309 1
25 . 1 . 1 6 6 ILE CB C 13 38.517 0.003 . 1 . . 731 . . 6 ILE CB . 52309 1
26 . 1 . 1 6 6 ILE N N 15 124.263 0.005 . 1 . . 256 . . 6 ILE N . 52309 1
27 . 1 . 1 7 7 ILE H H 1 8.340 0.001 . 1 . . 201 . . 7 ILE H . 52309 1
28 . 1 . 1 7 7 ILE HA H 1 4.162 0.003 . 1 . . 961 . . 7 ILE HA . 52309 1
29 . 1 . 1 7 7 ILE C C 13 175.690 0.001 . 1 . . 730 . . 7 ILE C . 52309 1
30 . 1 . 1 7 7 ILE CA C 13 60.844 0.017 . 1 . . 728 . . 7 ILE CA . 52309 1
31 . 1 . 1 7 7 ILE CB C 13 38.683 0.023 . 1 . . 729 . . 7 ILE CB . 52309 1
32 . 1 . 1 7 7 ILE N N 15 126.092 0.009 . 1 . . 202 . . 7 ILE N . 52309 1
33 . 1 . 1 8 8 ASN H H 1 8.584 0.002 . 1 . . 25 . . 8 ASN H . 52309 1
34 . 1 . 1 8 8 ASN HA H 1 4.714 0.003 . 1 . . 960 . . 8 ASN HA . 52309 1
35 . 1 . 1 8 8 ASN C C 13 175.004 0.005 . 1 . . 727 . . 8 ASN C . 52309 1
36 . 1 . 1 8 8 ASN CA C 13 53.053 0.028 . 1 . . 726 . . 8 ASN CA . 52309 1
37 . 1 . 1 8 8 ASN CB C 13 38.932 0.03 . 1 . . 725 . . 8 ASN CB . 52309 1
38 . 1 . 1 8 8 ASN N N 15 123.964 0.006 . 1 . . 26 . . 8 ASN N . 52309 1
39 . 1 . 1 9 9 LYS H H 1 8.380 0.002 . 1 . . 231 . . 9 LYS H . 52309 1
40 . 1 . 1 9 9 LYS HA H 1 4.260 0.001 . 1 . . 959 . . 9 LYS HA . 52309 1
41 . 1 . 1 9 9 LYS C C 13 176.387 0.005 . 1 . . 756 . . 9 LYS C . 52309 1
42 . 1 . 1 9 9 LYS CA C 13 56.628 0.014 . 1 . . 754 . . 9 LYS CA . 52309 1
43 . 1 . 1 9 9 LYS CB C 13 33.093 0.008 . 1 . . 755 . . 9 LYS CB . 52309 1
44 . 1 . 1 9 9 LYS N N 15 122.948 0.005 . 1 . . 232 . . 9 LYS N . 52309 1
45 . 1 . 1 10 10 LYS H H 1 8.336 0.002 . 1 . . 287 . . 10 LYS H . 52309 1
46 . 1 . 1 10 10 LYS HA H 1 4.266 0.0 . 1 . . 958 . . 10 LYS HA . 52309 1
47 . 1 . 1 10 10 LYS C C 13 176.477 0.01 . 1 . . 753 . . 10 LYS C . 52309 1
48 . 1 . 1 10 10 LYS CA C 13 56.501 0.034 . 1 . . 751 . . 10 LYS CA . 52309 1
49 . 1 . 1 10 10 LYS CB C 13 32.841 0.02 . 1 . . 752 . . 10 LYS CB . 52309 1
50 . 1 . 1 10 10 LYS N N 15 122.559 0.008 . 1 . . 288 . . 10 LYS N . 52309 1
51 . 1 . 1 11 11 LEU H H 1 8.189 0.002 . 1 . . 49 . . 11 LEU H . 52309 1
52 . 1 . 1 11 11 LEU HA H 1 4.317 0.002 . 1 . . 957 . . 11 LEU HA . 52309 1
53 . 1 . 1 11 11 LEU C C 13 176.743 0.006 . 1 . . 750 . . 11 LEU C . 52309 1
54 . 1 . 1 11 11 LEU CA C 13 55.128 0.024 . 1 . . 748 . . 11 LEU CA . 52309 1
55 . 1 . 1 11 11 LEU CB C 13 42.558 0.02 . 1 . . 749 . . 11 LEU CB . 52309 1
56 . 1 . 1 11 11 LEU N N 15 123.611 0.007 . 1 . . 50 . . 11 LEU N . 52309 1
57 . 1 . 1 12 12 ASP H H 1 8.376 0.001 . 1 . . 71 . . 12 ASP H . 52309 1
58 . 1 . 1 12 12 ASP HA H 1 4.634 0.001 . 1 . . 956 . . 12 ASP HA . 52309 1
59 . 1 . 1 12 12 ASP C C 13 176.446 0.003 . 1 . . 747 . . 12 ASP C . 52309 1
60 . 1 . 1 12 12 ASP CA C 13 53.972 0.041 . 1 . . 745 . . 12 ASP CA . 52309 1
61 . 1 . 1 12 12 ASP CB C 13 41.075 0.015 . 1 . . 746 . . 12 ASP CB . 52309 1
62 . 1 . 1 12 12 ASP N N 15 122.041 0.005 . 1 . . 72 . . 12 ASP N . 52309 1
63 . 1 . 1 13 13 LEU H H 1 8.378 0.002 . 1 . . 137 . . 13 LEU H . 52309 1
64 . 1 . 1 13 13 LEU HA H 1 4.363 0.003 . 1 . . 955 . . 13 LEU HA . 52309 1
65 . 1 . 1 13 13 LEU C C 13 177.906 0.016 . 1 . . 576 . . 13 LEU C . 52309 1
66 . 1 . 1 13 13 LEU CA C 13 55.306 0.052 . 1 . . 575 . . 13 LEU CA . 52309 1
67 . 1 . 1 13 13 LEU CB C 13 41.847 0.017 . 1 . . 574 . . 13 LEU CB . 52309 1
68 . 1 . 1 13 13 LEU N N 15 123.979 0.007 . 1 . . 138 . . 13 LEU N . 52309 1
69 . 1 . 1 14 14 SER H H 1 8.393 0.003 . 1 . . 165 . . 14 SER H . 52309 1
70 . 1 . 1 14 14 SER HA H 1 4.344 0.001 . 1 . . 954 . . 14 SER HA . 52309 1
71 . 1 . 1 14 14 SER C C 13 174.665 0.008 . 1 . . 573 . . 14 SER C . 52309 1
72 . 1 . 1 14 14 SER CA C 13 59.491 0.012 . 1 . . 571 . . 14 SER CA . 52309 1
73 . 1 . 1 14 14 SER CB C 13 63.645 0.02 . 1 . . 572 . . 14 SER CB . 52309 1
74 . 1 . 1 14 14 SER N N 15 116.028 0.008 . 1 . . 166 . . 14 SER N . 52309 1
75 . 1 . 1 15 15 ASN H H 1 8.323 0.002 . 1 . . 203 . . 15 ASN H . 52309 1
76 . 1 . 1 15 15 ASN HA H 1 4.765 0.001 . 1 . . 953 . . 15 ASN HA . 52309 1
77 . 1 . 1 15 15 ASN C C 13 175.367 0.008 . 1 . . 570 . . 15 ASN C . 52309 1
78 . 1 . 1 15 15 ASN CA C 13 53.408 0.029 . 1 . . 568 . . 15 ASN CA . 52309 1
79 . 1 . 1 15 15 ASN CB C 13 38.870 0.015 . 1 . . 569 . . 15 ASN CB . 52309 1
80 . 1 . 1 15 15 ASN N N 15 120.342 0.005 . 1 . . 204 . . 15 ASN N . 52309 1
81 . 1 . 1 16 16 VAL H H 1 7.971 0.002 . 1 . . 27 . . 16 VAL H . 52309 1
82 . 1 . 1 16 16 VAL HA H 1 4.074 0.002 . 1 . . 952 . . 16 VAL HA . 52309 1
83 . 1 . 1 16 16 VAL C C 13 176.476 0.001 . 1 . . 567 . . 16 VAL C . 52309 1
84 . 1 . 1 16 16 VAL CA C 13 62.909 0.013 . 1 . . 565 . . 16 VAL CA . 52309 1
85 . 1 . 1 16 16 VAL CB C 13 32.525 0.042 . 1 . . 566 . . 16 VAL CB . 52309 1
86 . 1 . 1 16 16 VAL N N 15 120.063 0.011 . 1 . . 28 . . 16 VAL N . 52309 1
87 . 1 . 1 17 17 GLN H H 1 8.472 0.002 . 1 . . 59 . . 17 GLN H . 52309 1
88 . 1 . 1 17 17 GLN HA H 1 4.355 0.001 . 1 . . 951 . . 17 GLN HA . 52309 1
89 . 1 . 1 17 17 GLN C C 13 176.251 0.003 . 1 . . 564 . . 17 GLN C . 52309 1
90 . 1 . 1 17 17 GLN CA C 13 56.069 0.026 . 1 . . 563 . . 17 GLN CA . 52309 1
91 . 1 . 1 17 17 GLN CB C 13 29.367 0.06 . 1 . . 562 . . 17 GLN CB . 52309 1
92 . 1 . 1 17 17 GLN N N 15 123.588 0.012 . 1 . . 60 . . 17 GLN N . 52309 1
93 . 1 . 1 18 18 SER H H 1 8.338 0.001 . 1 . . 189 . . 18 SER H . 52309 1
94 . 1 . 1 18 18 SER HA H 1 4.405 0.002 . 1 . . 950 . . 18 SER HA . 52309 1
95 . 1 . 1 18 18 SER C C 13 174.756 0.022 . 1 . . 561 . . 18 SER C . 52309 1
96 . 1 . 1 18 18 SER CA C 13 58.562 0.022 . 1 . . 559 . . 18 SER CA . 52309 1
97 . 1 . 1 18 18 SER CB C 13 63.792 0.019 . 1 . . 560 . . 18 SER CB . 52309 1
98 . 1 . 1 18 18 SER N N 15 117.157 0.011 . 1 . . 190 . . 18 SER N . 52309 1
99 . 1 . 1 19 19 LYS H H 1 8.425 0.002 . 1 . . 151 . . 19 LYS H . 52309 1
100 . 1 . 1 19 19 LYS HA H 1 4.387 0.002 . 1 . . 949 . . 19 LYS HA . 52309 1
101 . 1 . 1 19 19 LYS C C 13 176.721 0.007 . 1 . . 558 . . 19 LYS C . 52309 1
102 . 1 . 1 19 19 LYS CA C 13 56.525 0.033 . 1 . . 556 . . 19 LYS CA . 52309 1
103 . 1 . 1 19 19 LYS CB C 13 32.910 0.004 . 1 . . 557 . . 19 LYS CB . 52309 1
104 . 1 . 1 19 19 LYS N N 15 123.292 0.003 . 1 . . 152 . . 19 LYS N . 52309 1
105 . 1 . 1 20 20 CYS H H 1 8.391 0.002 . 1 . . 183 . . 20 CYS H . 52309 1
106 . 1 . 1 20 20 CYS HA H 1 4.509 0.002 . 1 . . 948 . . 20 CYS HA . 52309 1
107 . 1 . 1 20 20 CYS C C 13 175.183 0.01 . 1 . . 555 . . 20 CYS C . 52309 1
108 . 1 . 1 20 20 CYS CA C 13 58.820 0.034 . 1 . . 553 . . 20 CYS CA . 52309 1
109 . 1 . 1 20 20 CYS CB C 13 28.060 0.029 . 1 . . 554 . . 20 CYS CB . 52309 1
110 . 1 . 1 20 20 CYS N N 15 119.993 0.005 . 1 . . 184 . . 20 CYS N . 52309 1
111 . 1 . 1 21 21 GLY H H 1 8.543 0.002 . 1 . . 155 . . 21 GLY H . 52309 1
112 . 1 . 1 21 21 GLY HA2 H 1 4.051 0.0 . 1 . . 947 . . 21 GLY HA2 . 52309 1
113 . 1 . 1 21 21 GLY C C 13 174.192 0.012 . 1 . . 528 . . 21 GLY C . 52309 1
114 . 1 . 1 21 21 GLY CA C 13 45.388 0.054 . 1 . . 527 . . 21 GLY CA . 52309 1
115 . 1 . 1 21 21 GLY N N 15 111.710 0.007 . 1 . . 156 . . 21 GLY N . 52309 1
116 . 1 . 1 22 22 SER H H 1 8.264 0.001 . 1 . . 73 . . 22 SER H . 52309 1
117 . 1 . 1 22 22 SER HA H 1 4.265 . . 1 . . 946 . . 22 SER HA . 52309 1
118 . 1 . 1 22 22 SER C C 13 175.054 0.007 . 1 . . 534 . . 22 SER C . 52309 1
119 . 1 . 1 22 22 SER CA C 13 58.482 0.028 . 1 . . 529 . . 22 SER CA . 52309 1
120 . 1 . 1 22 22 SER CB C 13 63.961 0.023 . 1 . . 530 . . 22 SER CB . 52309 1
121 . 1 . 1 22 22 SER N N 15 115.830 0.005 . 1 . . 74 . . 22 SER N . 52309 1
122 . 1 . 1 23 23 LYS H H 1 8.504 0.002 . 1 . . 173 . . 23 LYS H . 52309 1
123 . 1 . 1 23 23 LYS HA H 1 4.341 0.003 . 1 . . 945 . . 23 LYS HA . 52309 1
124 . 1 . 1 23 23 LYS C C 13 176.420 0.011 . 1 . . 533 . . 23 LYS C . 52309 1
125 . 1 . 1 23 23 LYS CA C 13 56.655 0.026 . 1 . . 531 . . 23 LYS CA . 52309 1
126 . 1 . 1 23 23 LYS CB C 13 32.773 0.023 . 1 . . 532 . . 23 LYS CB . 52309 1
127 . 1 . 1 23 23 LYS N N 15 123.205 0.005 . 1 . . 174 . . 23 LYS N . 52309 1
128 . 1 . 1 24 24 ASP H H 1 8.246 0.001 . 1 . . 259 . . 24 ASP H . 52309 1
129 . 1 . 1 24 24 ASP HA H 1 4.580 0.001 . 1 . . 944 . . 24 ASP HA . 52309 1
130 . 1 . 1 24 24 ASP C C 13 175.921 0.006 . 1 . . 537 . . 24 ASP C . 52309 1
131 . 1 . 1 24 24 ASP CA C 13 54.632 0.065 . 1 . . 536 . . 24 ASP CA . 52309 1
132 . 1 . 1 24 24 ASP CB C 13 41.252 0.043 . 1 . . 535 . . 24 ASP CB . 52309 1
133 . 1 . 1 24 24 ASP N N 15 120.442 0.008 . 1 . . 260 . . 24 ASP N . 52309 1
134 . 1 . 1 25 25 ASN H H 1 8.330 0.001 . 1 . . 55 . . 25 ASN H . 52309 1
135 . 1 . 1 25 25 ASN HA H 1 4.686 0.001 . 1 . . 943 . . 25 ASN HA . 52309 1
136 . 1 . 1 25 25 ASN C C 13 175.097 0.01 . 1 . . 540 . . 25 ASN C . 52309 1
137 . 1 . 1 25 25 ASN CA C 13 53.361 0.017 . 1 . . 538 . . 25 ASN CA . 52309 1
138 . 1 . 1 25 25 ASN CB C 13 38.789 0.007 . 1 . . 539 . . 25 ASN CB . 52309 1
139 . 1 . 1 25 25 ASN N N 15 118.792 0.006 . 1 . . 56 . . 25 ASN N . 52309 1
140 . 1 . 1 26 26 ILE H H 1 7.984 0.002 . 1 . . 193 . . 26 ILE H . 52309 1
141 . 1 . 1 26 26 ILE HA H 1 4.115 0.001 . 1 . . 942 . . 26 ILE HA . 52309 1
142 . 1 . 1 26 26 ILE C C 13 176.054 0.004 . 1 . . 543 . . 26 ILE C . 52309 1
143 . 1 . 1 26 26 ILE CA C 13 61.235 0.021 . 1 . . 541 . . 26 ILE CA . 52309 1
144 . 1 . 1 26 26 ILE CB C 13 38.552 0.049 . 1 . . 542 . . 26 ILE CB . 52309 1
145 . 1 . 1 26 26 ILE N N 15 120.846 0.006 . 1 . . 194 . . 26 ILE N . 52309 1
146 . 1 . 1 27 27 LYS H H 1 8.345 0.002 . 1 . . 171 . . 27 LYS H . 52309 1
147 . 1 . 1 27 27 LYS HA H 1 4.290 0.001 . 1 . . 941 . . 27 LYS HA . 52309 1
148 . 1 . 1 27 27 LYS C C 13 176.098 0.002 . 1 . . 546 . . 27 LYS C . 52309 1
149 . 1 . 1 27 27 LYS CA C 13 56.078 0.02 . 1 . . 545 . . 27 LYS CA . 52309 1
150 . 1 . 1 27 27 LYS CB C 13 33.053 0.021 . 1 . . 544 . . 27 LYS CB . 52309 1
151 . 1 . 1 27 27 LYS N N 15 125.100 0.014 . 1 . . 172 . . 27 LYS N . 52309 1
152 . 1 . 1 28 28 HIS H H 1 8.484 0.002 . 1 . . 39 . . 28 HIS H . 52309 1
153 . 1 . 1 28 28 HIS HA H 1 4.696 0.001 . 1 . . 940 . . 28 HIS HA . 52309 1
154 . 1 . 1 28 28 HIS C C 13 174.457 0.007 . 1 . . 549 . . 28 HIS C . 52309 1
155 . 1 . 1 28 28 HIS CA C 13 55.547 0.018 . 1 . . 548 . . 28 HIS CA . 52309 1
156 . 1 . 1 28 28 HIS CB C 13 29.810 0.005 . 1 . . 547 . . 28 HIS CB . 52309 1
157 . 1 . 1 28 28 HIS N N 15 121.282 0.004 . 1 . . 40 . . 28 HIS N . 52309 1
158 . 1 . 1 29 29 VAL H H 1 8.257 0.001 . 1 . . 289 . . 29 VAL H . 52309 1
159 . 1 . 1 29 29 VAL HA H 1 4.424 0.001 . 1 . . 828 . . 29 VAL HA . 52309 1
160 . 1 . 1 29 29 VAL C C 13 174.353 0.005 . 1 . . 552 . . 29 VAL C . 52309 1
161 . 1 . 1 29 29 VAL CA C 13 59.743 0.024 . 1 . . 551 . . 29 VAL CA . 52309 1
162 . 1 . 1 29 29 VAL CB C 13 32.652 0.066 . 1 . . 550 . . 29 VAL CB . 52309 1
163 . 1 . 1 29 29 VAL N N 15 123.717 0.004 . 1 . . 290 . . 29 VAL N . 52309 1
164 . 1 . 1 30 30 PRO HA H 1 4.405 . . 1 . . 886 . . 30 PRO HA . 52309 1
165 . 1 . 1 30 30 PRO CA C 13 63.594 . . 1 . . 887 . . 30 PRO CA . 52309 1
166 . 1 . 1 30 30 PRO N N 15 139.832 0.019 . 1 . . 829 . . 30 PRO N . 52309 1
167 . 1 . 1 33 33 GLY H H 1 8.386 0.001 . 1 . . 283 . . 33 GLY H . 52309 1
168 . 1 . 1 33 33 GLY HA2 H 1 3.997 0.0 . 1 . . 939 . . 33 GLY HA2 . 52309 1
169 . 1 . 1 33 33 GLY C C 13 174.174 0.007 . 1 . . 779 . . 33 GLY C . 52309 1
170 . 1 . 1 33 33 GLY CA C 13 45.329 0.024 . 1 . . 778 . . 33 GLY CA . 52309 1
171 . 1 . 1 33 33 GLY N N 15 108.967 0.006 . 1 . . 284 . . 33 GLY N . 52309 1
172 . 1 . 1 34 34 SER H H 1 8.276 0.001 . 1 . . 219 . . 34 SER H . 52309 1
173 . 1 . 1 34 34 SER HA H 1 4.522 0.001 . 1 . . 938 . . 34 SER HA . 52309 1
174 . 1 . 1 34 34 SER C C 13 174.544 0.01 . 1 . . 777 . . 34 SER C . 52309 1
175 . 1 . 1 34 34 SER CA C 13 58.274 0.01 . 1 . . 776 . . 34 SER CA . 52309 1
176 . 1 . 1 34 34 SER CB C 13 63.983 0.006 . 1 . . 775 . . 34 SER CB . 52309 1
177 . 1 . 1 34 34 SER N N 15 115.715 0.008 . 1 . . 220 . . 34 SER N . 52309 1
178 . 1 . 1 35 35 VAL H H 1 8.199 0.002 . 1 . . 119 . . 35 VAL H . 52309 1
179 . 1 . 1 35 35 VAL HA H 1 4.143 0.001 . 1 . . 937 . . 35 VAL HA . 52309 1
180 . 1 . 1 35 35 VAL C C 13 175.900 0.016 . 1 . . 774 . . 35 VAL C . 52309 1
181 . 1 . 1 35 35 VAL CA C 13 62.269 0.007 . 1 . . 773 . . 35 VAL CA . 52309 1
182 . 1 . 1 35 35 VAL CB C 13 32.810 0.027 . 1 . . 772 . . 35 VAL CB . 52309 1
183 . 1 . 1 35 35 VAL N N 15 121.813 0.006 . 1 . . 120 . . 35 VAL N . 52309 1
184 . 1 . 1 36 36 GLN H H 1 8.470 0.003 . 1 . . 199 . . 36 GLN H . 52309 1
185 . 1 . 1 36 36 GLN HA H 1 4.363 0.004 . 1 . . 936 . . 36 GLN HA . 52309 1
186 . 1 . 1 36 36 GLN C C 13 175.526 0.004 . 1 . . 771 . . 36 GLN C . 52309 1
187 . 1 . 1 36 36 GLN CA C 13 55.619 0.039 . 1 . . 769 . . 36 GLN CA . 52309 1
188 . 1 . 1 36 36 GLN CB C 13 29.566 0.055 . 1 . . 770 . . 36 GLN CB . 52309 1
189 . 1 . 1 36 36 GLN N N 15 124.783 0.003 . 1 . . 200 . . 36 GLN N . 52309 1
190 . 1 . 1 37 37 ILE H H 1 8.290 0.001 . 1 . . 51 . . 37 ILE H . 52309 1
191 . 1 . 1 37 37 ILE HA H 1 4.098 0.002 . 1 . . 935 . . 37 ILE HA . 52309 1
192 . 1 . 1 37 37 ILE C C 13 175.715 0.01 . 1 . . 759 . . 37 ILE C . 52309 1
193 . 1 . 1 37 37 ILE CA C 13 60.999 0.021 . 1 . . 757 . . 37 ILE CA . 52309 1
194 . 1 . 1 37 37 ILE CB C 13 38.655 0.018 . 1 . . 758 . . 37 ILE CB . 52309 1
195 . 1 . 1 37 37 ILE N N 15 124.157 0.005 . 1 . . 52 . . 37 ILE N . 52309 1
196 . 1 . 1 38 38 VAL H H 1 8.219 0.001 . 1 . . 261 . . 38 VAL H . 52309 1
197 . 1 . 1 38 38 VAL HA H 1 4.079 0.003 . 1 . . 934 . . 38 VAL HA . 52309 1
198 . 1 . 1 38 38 VAL C C 13 175.454 0.006 . 1 . . 762 . . 38 VAL C . 52309 1
199 . 1 . 1 38 38 VAL CA C 13 61.985 0.033 . 1 . . 761 . . 38 VAL CA . 52309 1
200 . 1 . 1 38 38 VAL CB C 13 32.960 0.007 . 1 . . 760 . . 38 VAL CB . 52309 1
201 . 1 . 1 38 38 VAL N N 15 125.584 0.009 . 1 . . 262 . . 38 VAL N . 52309 1
202 . 1 . 1 39 39 TYR H H 1 8.456 0.002 . 1 . . 213 . . 39 TYR H . 52309 1
203 . 1 . 1 39 39 TYR HA H 1 4.563 0.003 . 1 . . 933 . . 39 TYR HA . 52309 1
204 . 1 . 1 39 39 TYR C C 13 175.053 0.005 . 1 . . 765 . . 39 TYR C . 52309 1
205 . 1 . 1 39 39 TYR CA C 13 57.885 0.021 . 1 . . 764 . . 39 TYR CA . 52309 1
206 . 1 . 1 39 39 TYR CB C 13 39.010 0.034 . 1 . . 763 . . 39 TYR CB . 52309 1
207 . 1 . 1 39 39 TYR N N 15 126.171 0.009 . 1 . . 214 . . 39 TYR N . 52309 1
208 . 1 . 1 40 40 LYS H H 1 8.203 0.002 . 1 . . 237 . . 40 LYS H . 52309 1
209 . 1 . 1 40 40 LYS HA H 1 4.547 0.002 . 1 . . 826 . . 40 LYS HA . 52309 1
210 . 1 . 1 40 40 LYS C C 13 173.615 0.002 . 1 . . 768 . . 40 LYS C . 52309 1
211 . 1 . 1 40 40 LYS CA C 13 53.619 0.012 . 1 . . 766 . . 40 LYS CA . 52309 1
212 . 1 . 1 40 40 LYS CB C 13 33.001 0.015 . 1 . . 767 . . 40 LYS CB . 52309 1
213 . 1 . 1 40 40 LYS N N 15 125.924 0.015 . 1 . . 238 . . 40 LYS N . 52309 1
214 . 1 . 1 41 41 PRO HA H 1 4.371 . . 1 . . 929 . . 41 PRO HA . 52309 1
215 . 1 . 1 41 41 PRO C C 13 176.905 0.001 . 1 . . 692 . . 41 PRO C . 52309 1
216 . 1 . 1 41 41 PRO CA C 13 62.950 0.08 . 1 . . 689 . . 41 PRO CA . 52309 1
217 . 1 . 1 41 41 PRO CB C 13 31.994 . . 1 . . 690 . . 41 PRO CB . 52309 1
218 . 1 . 1 41 41 PRO N N 15 136.717 0.029 . 1 . . 827 . . 41 PRO N . 52309 1
219 . 1 . 1 42 42 VAL H H 1 8.205 0.001 . 1 . . 233 . . 42 VAL H . 52309 1
220 . 1 . 1 42 42 VAL HA H 1 4.014 0.001 . 1 . . 928 . . 42 VAL HA . 52309 1
221 . 1 . 1 42 42 VAL C C 13 175.642 0.013 . 1 . . 691 . . 42 VAL C . 52309 1
222 . 1 . 1 42 42 VAL CA C 13 62.439 0.009 . 1 . . 688 . . 42 VAL CA . 52309 1
223 . 1 . 1 42 42 VAL CB C 13 32.966 0.024 . 1 . . 687 . . 42 VAL CB . 52309 1
224 . 1 . 1 42 42 VAL N N 15 120.487 0.007 . 1 . . 234 . . 42 VAL N . 52309 1
225 . 1 . 1 43 43 ASP H H 1 8.403 0.002 . 1 . . 159 . . 43 ASP H . 52309 1
226 . 1 . 1 43 43 ASP HA H 1 4.663 0.002 . 1 . . 927 . . 43 ASP HA . 52309 1
227 . 1 . 1 43 43 ASP C C 13 176.653 0.011 . 1 . . 686 . . 43 ASP C . 52309 1
228 . 1 . 1 43 43 ASP CA C 13 53.694 0.016 . 1 . . 684 . . 43 ASP CA . 52309 1
229 . 1 . 1 43 43 ASP CB C 13 41.015 0.023 . 1 . . 685 . . 43 ASP CB . 52309 1
230 . 1 . 1 43 43 ASP N N 15 124.286 0.008 . 1 . . 160 . . 43 ASP N . 52309 1
231 . 1 . 1 44 44 LEU H H 1 8.534 0.002 . 1 . . 281 . . 44 LEU H . 52309 1
232 . 1 . 1 44 44 LEU HA H 1 4.310 0.002 . 1 . . 926 . . 44 LEU HA . 52309 1
233 . 1 . 1 44 44 LEU C C 13 178.074 0.008 . 1 . . 683 . . 44 LEU C . 52309 1
234 . 1 . 1 44 44 LEU CA C 13 55.657 0.039 . 1 . . 681 . . 44 LEU CA . 52309 1
235 . 1 . 1 44 44 LEU CB C 13 41.696 0.065 . 1 . . 682 . . 44 LEU CB . 52309 1
236 . 1 . 1 44 44 LEU N N 15 125.292 0.011 . 1 . . 282 . . 44 LEU N . 52309 1
237 . 1 . 1 45 45 SER H H 1 8.452 0.003 . 1 . . 97 . . 45 SER H . 52309 1
238 . 1 . 1 45 45 SER HA H 1 4.327 0.001 . 1 . . 925 . . 45 SER HA . 52309 1
239 . 1 . 1 45 45 SER C C 13 175.006 0.01 . 1 . . 680 . . 45 SER C . 52309 1
240 . 1 . 1 45 45 SER CA C 13 59.844 0.027 . 1 . . 678 . . 45 SER CA . 52309 1
241 . 1 . 1 45 45 SER CB C 13 63.541 0.031 . 1 . . 679 . . 45 SER CB . 52309 1
242 . 1 . 1 45 45 SER N N 15 116.141 0.009 . 1 . . 98 . . 45 SER N . 52309 1
243 . 1 . 1 46 46 LYS H H 1 7.982 0.002 . 1 . . 87 . . 46 LYS H . 52309 1
244 . 1 . 1 46 46 LYS HA H 1 4.383 0.001 . 1 . . 924 . . 46 LYS HA . 52309 1
245 . 1 . 1 46 46 LYS C C 13 176.705 0.012 . 1 . . 677 . . 46 LYS C . 52309 1
246 . 1 . 1 46 46 LYS CA C 13 56.216 0.027 . 1 . . 675 . . 46 LYS CA . 52309 1
247 . 1 . 1 46 46 LYS CB C 13 32.891 0.018 . 1 . . 676 . . 46 LYS CB . 52309 1
248 . 1 . 1 46 46 LYS N N 15 122.010 0.008 . 1 . . 88 . . 46 LYS N . 52309 1
249 . 1 . 1 47 47 VAL H H 1 7.942 0.002 . 1 . . 297 . . 47 VAL H . 52309 1
250 . 1 . 1 47 47 VAL HA H 1 4.159 0.002 . 1 . . 923 . . 47 VAL HA . 52309 1
251 . 1 . 1 47 47 VAL C C 13 176.546 0.003 . 1 . . 674 . . 47 VAL C . 52309 1
252 . 1 . 1 47 47 VAL CA C 13 62.670 0.015 . 1 . . 672 . . 47 VAL CA . 52309 1
253 . 1 . 1 47 47 VAL CB C 13 32.520 0.026 . 1 . . 673 . . 47 VAL CB . 52309 1
254 . 1 . 1 47 47 VAL N N 15 120.729 0.008 . 1 . . 298 . . 47 VAL N . 52309 1
255 . 1 . 1 48 48 THR H H 1 8.248 0.001 . 1 . . 17 . . 48 THR H . 52309 1
256 . 1 . 1 48 48 THR HA H 1 4.401 0.001 . 1 . . 922 . . 48 THR HA . 52309 1
257 . 1 . 1 48 48 THR C C 13 174.646 0.012 . 1 . . 671 . . 48 THR C . 52309 1
258 . 1 . 1 48 48 THR CA C 13 61.911 0.031 . 1 . . 669 . . 48 THR CA . 52309 1
259 . 1 . 1 48 48 THR CB C 13 69.871 0.03 . 1 . . 670 . . 48 THR CB . 52309 1
260 . 1 . 1 48 48 THR N N 15 117.723 0.007 . 1 . . 18 . . 48 THR N . 52309 1
261 . 1 . 1 49 49 SER H H 1 8.311 0.002 . 1 . . 129 . . 49 SER H . 52309 1
262 . 1 . 1 49 49 SER HA H 1 4.474 0.001 . 1 . . 921 . . 49 SER HA . 52309 1
263 . 1 . 1 49 49 SER C C 13 174.663 0.011 . 1 . . 695 . . 49 SER C . 52309 1
264 . 1 . 1 49 49 SER CA C 13 58.402 0.007 . 1 . . 693 . . 49 SER CA . 52309 1
265 . 1 . 1 49 49 SER CB C 13 63.885 0.022 . 1 . . 694 . . 49 SER CB . 52309 1
266 . 1 . 1 49 49 SER N N 15 118.289 0.011 . 1 . . 130 . . 49 SER N . 52309 1
267 . 1 . 1 50 50 LYS H H 1 8.457 0.001 . 1 . . 109 . . 50 LYS H . 52309 1
268 . 1 . 1 50 50 LYS HA H 1 4.365 0.0 . 1 . . 920 . . 50 LYS HA . 52309 1
269 . 1 . 1 50 50 LYS C C 13 176.717 0.016 . 1 . . 698 . . 50 LYS C . 52309 1
270 . 1 . 1 50 50 LYS CA C 13 56.532 0.005 . 1 . . 696 . . 50 LYS CA . 52309 1
271 . 1 . 1 50 50 LYS CB C 13 32.858 0.045 . 1 . . 697 . . 50 LYS CB . 52309 1
272 . 1 . 1 50 50 LYS N N 15 123.441 0.009 . 1 . . 110 . . 50 LYS N . 52309 1
273 . 1 . 1 51 51 CYS H H 1 8.385 0.001 . 1 . . 251 . . 51 CYS H . 52309 1
274 . 1 . 1 51 51 CYS HA H 1 4.506 0.002 . 1 . . 919 . . 51 CYS HA . 52309 1
275 . 1 . 1 51 51 CYS C C 13 175.188 0.004 . 1 . . 701 . . 51 CYS C . 52309 1
276 . 1 . 1 51 51 CYS CA C 13 58.794 0.026 . 1 . . 700 . . 51 CYS CA . 52309 1
277 . 1 . 1 51 51 CYS CB C 13 28.077 0.011 . 1 . . 699 . . 51 CYS CB . 52309 1
278 . 1 . 1 51 51 CYS N N 15 119.956 0.004 . 1 . . 252 . . 51 CYS N . 52309 1
279 . 1 . 1 52 52 GLY H H 1 8.504 0.001 . 1 . . 239 . . 52 GLY H . 52309 1
280 . 1 . 1 52 52 GLY HA2 H 1 4.007 0.002 . 1 . . 918 . . 52 GLY HA2 . 52309 1
281 . 1 . 1 52 52 GLY C C 13 174.233 0.002 . 1 . . 703 . . 52 GLY C . 52309 1
282 . 1 . 1 52 52 GLY CA C 13 45.410 0.002 . 1 . . 702 . . 52 GLY CA . 52309 1
283 . 1 . 1 52 52 GLY N N 15 111.569 0.049 . 1 . . 240 . . 52 GLY N . 52309 1
284 . 1 . 1 53 53 SER H H 1 8.281 0.001 . 1 . . 295 . . 53 SER H . 52309 1
285 . 1 . 1 53 53 SER HA H 1 4.462 . . 1 . . 917 . . 53 SER HA . 52309 1
286 . 1 . 1 53 53 SER C C 13 174.887 0.013 . 1 . . 706 . . 53 SER C . 52309 1
287 . 1 . 1 53 53 SER CA C 13 58.374 0.0 . 1 . . 704 . . 53 SER CA . 52309 1
288 . 1 . 1 53 53 SER CB C 13 63.941 0.003 . 1 . . 705 . . 53 SER CB . 52309 1
289 . 1 . 1 53 53 SER N N 15 115.831 0.005 . 1 . . 296 . . 53 SER N . 52309 1
290 . 1 . 1 54 54 LEU H H 1 8.377 0.001 . 1 . . 708 . . 54 LEU H . 52309 1
291 . 1 . 1 54 54 LEU HA H 1 4.359 0.001 . 1 . . 916 . . 54 LEU HA . 52309 1
292 . 1 . 1 54 54 LEU C C 13 177.974 0.023 . 1 . . 711 . . 54 LEU C . 52309 1
293 . 1 . 1 54 54 LEU CA C 13 55.571 0.044 . 1 . . 709 . . 54 LEU CA . 52309 1
294 . 1 . 1 54 54 LEU CB C 13 42.235 0.021 . 1 . . 710 . . 54 LEU CB . 52309 1
295 . 1 . 1 54 54 LEU N N 15 123.871 0.003 . 1 . . 707 . . 54 LEU N . 52309 1
296 . 1 . 1 55 55 GLY H H 1 8.349 0.003 . 1 . . 712 . . 55 GLY H . 52309 1
297 . 1 . 1 55 55 GLY HA2 H 1 3.926 0.0 . 1 . . 915 . . 55 GLY HA2 . 52309 1
298 . 1 . 1 55 55 GLY C C 13 173.861 0.009 . 1 . . 715 . . 55 GLY C . 52309 1
299 . 1 . 1 55 55 GLY CA C 13 45.359 0.01 . 1 . . 714 . . 55 GLY CA . 52309 1
300 . 1 . 1 55 55 GLY N N 15 108.769 0.009 . 1 . . 713 . . 55 GLY N . 52309 1
301 . 1 . 1 56 56 ASN H H 1 8.287 0.002 . 1 . . 67 . . 56 ASN H . 52309 1
302 . 1 . 1 56 56 ASN HA H 1 4.708 0.0 . 1 . . 914 . . 56 ASN HA . 52309 1
303 . 1 . 1 56 56 ASN C C 13 175.326 0.012 . 1 . . 718 . . 56 ASN C . 52309 1
304 . 1 . 1 56 56 ASN CA C 13 53.148 0.009 . 1 . . 717 . . 56 ASN CA . 52309 1
305 . 1 . 1 56 56 ASN CB C 13 38.834 0.015 . 1 . . 716 . . 56 ASN CB . 52309 1
306 . 1 . 1 56 56 ASN N N 15 118.723 0.012 . 1 . . 68 . . 56 ASN N . 52309 1
307 . 1 . 1 57 57 ILE H H 1 8.004 0.001 . 1 . . 267 . . 57 ILE H . 52309 1
308 . 1 . 1 57 57 ILE HA H 1 4.085 0.002 . 1 . . 913 . . 57 ILE HA . 52309 1
309 . 1 . 1 57 57 ILE C C 13 175.970 0.004 . 1 . . 721 . . 57 ILE C . 52309 1
310 . 1 . 1 57 57 ILE CA C 13 61.394 0.017 . 1 . . 719 . . 57 ILE CA . 52309 1
311 . 1 . 1 57 57 ILE CB C 13 38.594 0.086 . 1 . . 720 . . 57 ILE CB . 52309 1
312 . 1 . 1 57 57 ILE N N 15 120.433 0.01 . 1 . . 268 . . 57 ILE N . 52309 1
313 . 1 . 1 58 58 HIS H H 1 8.475 0.001 . 1 . . 1 . . 58 HIS H . 52309 1
314 . 1 . 1 58 58 HIS HA H 1 4.689 0.003 . 1 . . 912 . . 58 HIS HA . 52309 1
315 . 1 . 1 58 58 HIS C C 13 174.493 . . 1 . . 724 . . 58 HIS C . 52309 1
316 . 1 . 1 58 58 HIS CA C 13 55.461 0.03 . 1 . . 722 . . 58 HIS CA . 52309 1
317 . 1 . 1 58 58 HIS CB C 13 29.802 0.023 . 1 . . 723 . . 58 HIS CB . 52309 1
318 . 1 . 1 58 58 HIS N N 15 122.390 0.006 . 1 . . 2 . . 58 HIS N . 52309 1
319 . 1 . 1 59 59 HIS H H 1 8.390 0.0 . 1 . . 784 . . 59 HIS H . 52309 1
320 . 1 . 1 59 59 HIS C C 13 174.320 0.005 . 1 . . 787 . . 59 HIS C . 52309 1
321 . 1 . 1 59 59 HIS CA C 13 55.594 . . 1 . . 786 . . 59 HIS CA . 52309 1
322 . 1 . 1 59 59 HIS CB C 13 29.970 . . 1 . . 785 . . 59 HIS CB . 52309 1
323 . 1 . 1 59 59 HIS N N 15 120.811 0.005 . 1 . . 783 . . 59 HIS N . 52309 1
324 . 1 . 1 60 60 LYS H H 1 8.497 0.002 . 1 . . 291 . . 60 LYS H . 52309 1
325 . 1 . 1 60 60 LYS HA H 1 4.579 0.003 . 1 . . 825 . . 60 LYS HA . 52309 1
326 . 1 . 1 60 60 LYS C C 13 174.484 0.008 . 1 . . 782 . . 60 LYS C . 52309 1
327 . 1 . 1 60 60 LYS CA C 13 54.312 0.01 . 1 . . 780 . . 60 LYS CA . 52309 1
328 . 1 . 1 60 60 LYS CB C 13 32.482 0.046 . 1 . . 781 . . 60 LYS CB . 52309 1
329 . 1 . 1 60 60 LYS N N 15 124.703 0.01 . 1 . . 292 . . 60 LYS N . 52309 1
330 . 1 . 1 61 61 PRO HA H 1 4.462 . . 1 . . 888 . . 61 PRO HA . 52309 1
331 . 1 . 1 61 61 PRO C C 13 177.649 0.006 . 1 . . 525 . . 61 PRO C . 52309 1
332 . 1 . 1 61 61 PRO CA C 13 63.360 0.146 . 1 . . 523 . . 61 PRO CA . 52309 1
333 . 1 . 1 61 61 PRO CB C 13 32.060 . . 1 . . 524 . . 61 PRO CB . 52309 1
334 . 1 . 1 61 61 PRO N N 15 137.803 0.004 . 1 . . 824 . . 61 PRO N . 52309 1
335 . 1 . 1 62 62 GLY H H 1 8.636 0.003 . 1 . . 225 . . 62 GLY H . 52309 1
336 . 1 . 1 62 62 GLY HA2 H 1 4.015 0.0 . 1 . . 911 . . 62 GLY HA2 . 52309 1
337 . 1 . 1 62 62 GLY C C 13 174.929 0.003 . 1 . . 526 . . 62 GLY C . 52309 1
338 . 1 . 1 62 62 GLY CA C 13 45.336 0.004 . 1 . . 522 . . 62 GLY CA . 52309 1
339 . 1 . 1 62 62 GLY N N 15 110.236 0.014 . 1 . . 226 . . 62 GLY N . 52309 1
340 . 1 . 1 63 63 GLY H H 1 8.364 0.001 . 1 . . 145 . . 63 GLY H . 52309 1
341 . 1 . 1 63 63 GLY HA2 H 1 3.991 0.001 . 1 . . 910 . . 63 GLY HA2 . 52309 1
342 . 1 . 1 63 63 GLY C C 13 174.818 0.006 . 1 . . 521 . . 63 GLY C . 52309 1
343 . 1 . 1 63 63 GLY CA C 13 45.404 0.001 . 1 . . 520 . . 63 GLY CA . 52309 1
344 . 1 . 1 63 63 GLY N N 15 108.787 0.005 . 1 . . 146 . . 63 GLY N . 52309 1
345 . 1 . 1 64 64 GLY H H 1 8.404 0.002 . 1 . . 29 . . 64 GLY H . 52309 1
346 . 1 . 1 64 64 GLY HA2 H 1 3.947 0.003 . 1 . . 909 . . 64 GLY HA2 . 52309 1
347 . 1 . 1 64 64 GLY C C 13 174.076 0.001 . 1 . . 518 . . 64 GLY C . 52309 1
348 . 1 . 1 64 64 GLY CA C 13 45.180 0.016 . 1 . . 519 . . 64 GLY CA . 52309 1
349 . 1 . 1 64 64 GLY N N 15 108.863 0.002 . 1 . . 30 . . 64 GLY N . 52309 1
350 . 1 . 1 65 65 GLN H H 1 8.307 0.001 . 1 . . 227 . . 65 GLN H . 52309 1
351 . 1 . 1 65 65 GLN HA H 1 4.386 0.002 . 1 . . 908 . . 65 GLN HA . 52309 1
352 . 1 . 1 65 65 GLN C C 13 175.976 0.005 . 1 . . 517 . . 65 GLN C . 52309 1
353 . 1 . 1 65 65 GLN CA C 13 55.787 0.017 . 1 . . 515 . . 65 GLN CA . 52309 1
354 . 1 . 1 65 65 GLN CB C 13 29.571 0.015 . 1 . . 516 . . 65 GLN CB . 52309 1
355 . 1 . 1 65 65 GLN N N 15 120.008 0.005 . 1 . . 228 . . 65 GLN N . 52309 1
356 . 1 . 1 66 66 VAL H H 1 8.239 0.001 . 1 . . 133 . . 66 VAL H . 52309 1
357 . 1 . 1 66 66 VAL HA H 1 4.099 0.003 . 1 . . 907 . . 66 VAL HA . 52309 1
358 . 1 . 1 66 66 VAL C C 13 175.942 0.009 . 1 . . 514 . . 66 VAL C . 52309 1
359 . 1 . 1 66 66 VAL CA C 13 62.334 0.012 . 1 . . 512 . . 66 VAL CA . 52309 1
360 . 1 . 1 66 66 VAL CB C 13 32.883 0.005 . 1 . . 513 . . 66 VAL CB . 52309 1
361 . 1 . 1 66 66 VAL N N 15 121.722 0.009 . 1 . . 134 . . 66 VAL N . 52309 1
362 . 1 . 1 67 67 GLU H H 1 8.535 0.001 . 1 . . 269 . . 67 GLU H . 52309 1
363 . 1 . 1 67 67 GLU HA H 1 4.330 0.001 . 1 . . 906 . . 67 GLU HA . 52309 1
364 . 1 . 1 67 67 GLU C C 13 176.153 0.007 . 1 . . 511 . . 67 GLU C . 52309 1
365 . 1 . 1 67 67 GLU CA C 13 56.286 0.014 . 1 . . 510 . . 67 GLU CA . 52309 1
366 . 1 . 1 67 67 GLU CB C 13 30.562 0.023 . 1 . . 509 . . 67 GLU CB . 52309 1
367 . 1 . 1 67 67 GLU N N 15 125.503 0.003 . 1 . . 270 . . 67 GLU N . 52309 1
368 . 1 . 1 68 68 VAL H H 1 8.360 0.002 . 1 . . 135 . . 68 VAL H . 52309 1
369 . 1 . 1 68 68 VAL HA H 1 4.080 0.002 . 1 . . 905 . . 68 VAL HA . 52309 1
370 . 1 . 1 68 68 VAL C C 13 176.112 0.011 . 1 . . 508 . . 68 VAL C . 52309 1
371 . 1 . 1 68 68 VAL CA C 13 62.321 0.022 . 1 . . 506 . . 68 VAL CA . 52309 1
372 . 1 . 1 68 68 VAL CB C 13 32.772 0.069 . 1 . . 507 . . 68 VAL CB . 52309 1
373 . 1 . 1 68 68 VAL N N 15 123.381 0.008 . 1 . . 136 . . 68 VAL N . 52309 1
374 . 1 . 1 69 69 LYS H H 1 8.525 0.002 . 1 . . 217 . . 69 LYS H . 52309 1
375 . 1 . 1 69 69 LYS HA H 1 4.365 0.003 . 1 . . 904 . . 69 LYS HA . 52309 1
376 . 1 . 1 69 69 LYS C C 13 176.474 0.006 . 1 . . 505 . . 69 LYS C . 52309 1
377 . 1 . 1 69 69 LYS CA C 13 56.206 0.014 . 1 . . 503 . . 69 LYS CA . 52309 1
378 . 1 . 1 69 69 LYS CB C 13 33.037 0.055 . 1 . . 504 . . 69 LYS CB . 52309 1
379 . 1 . 1 69 69 LYS N N 15 126.250 0.007 . 1 . . 218 . . 69 LYS N . 52309 1
380 . 1 . 1 70 70 SER H H 1 8.401 0.002 . 1 . . 125 . . 70 SER H . 52309 1
381 . 1 . 1 70 70 SER HA H 1 4.420 0.002 . 1 . . 903 . . 70 SER HA . 52309 1
382 . 1 . 1 70 70 SER C C 13 174.561 0.012 . 1 . . 502 . . 70 SER C . 52309 1
383 . 1 . 1 70 70 SER CA C 13 58.323 0.024 . 1 . . 500 . . 70 SER CA . 52309 1
384 . 1 . 1 70 70 SER CB C 13 63.868 0.041 . 1 . . 501 . . 70 SER CB . 52309 1
385 . 1 . 1 70 70 SER N N 15 117.657 0.008 . 1 . . 126 . . 70 SER N . 52309 1
386 . 1 . 1 71 71 GLU H H 1 8.564 0.002 . 1 . . 101 . . 71 GLU H . 52309 1
387 . 1 . 1 71 71 GLU HA H 1 4.309 0.002 . 1 . . 902 . . 71 GLU HA . 52309 1
388 . 1 . 1 71 71 GLU C C 13 176.301 0.003 . 1 . . 499 . . 71 GLU C . 52309 1
389 . 1 . 1 71 71 GLU CA C 13 56.639 0.027 . 1 . . 497 . . 71 GLU CA . 52309 1
390 . 1 . 1 71 71 GLU CB C 13 30.382 0.034 . 1 . . 498 . . 71 GLU CB . 52309 1
391 . 1 . 1 71 71 GLU N N 15 123.495 0.011 . 1 . . 102 . . 71 GLU N . 52309 1
392 . 1 . 1 72 72 LYS H H 1 8.348 0.002 . 1 . . 37 . . 72 LYS H . 52309 1
393 . 1 . 1 72 72 LYS HA H 1 4.288 0.001 . 1 . . 901 . . 72 LYS HA . 52309 1
394 . 1 . 1 72 72 LYS C C 13 176.425 0.009 . 1 . . 496 . . 72 LYS C . 52309 1
395 . 1 . 1 72 72 LYS CA C 13 56.328 0.017 . 1 . . 494 . . 72 LYS CA . 52309 1
396 . 1 . 1 72 72 LYS CB C 13 32.861 0.043 . 1 . . 495 . . 72 LYS CB . 52309 1
397 . 1 . 1 72 72 LYS N N 15 122.274 0.007 . 1 . . 38 . . 72 LYS N . 52309 1
398 . 1 . 1 73 73 LEU H H 1 8.249 0.001 . 1 . . 19 . . 73 LEU H . 52309 1
399 . 1 . 1 73 73 LEU HA H 1 4.316 0.003 . 1 . . 900 . . 73 LEU HA . 52309 1
400 . 1 . 1 73 73 LEU C C 13 176.796 0.005 . 1 . . 493 . . 73 LEU C . 52309 1
401 . 1 . 1 73 73 LEU CA C 13 55.104 0.063 . 1 . . 492 . . 73 LEU CA . 52309 1
402 . 1 . 1 73 73 LEU CB C 13 42.401 0.014 . 1 . . 491 . . 73 LEU CB . 52309 1
403 . 1 . 1 73 73 LEU N N 15 123.645 0.008 . 1 . . 20 . . 73 LEU N . 52309 1
404 . 1 . 1 74 74 ASP H H 1 8.336 0.002 . 1 . . 279 . . 74 ASP H . 52309 1
405 . 1 . 1 74 74 ASP HA H 1 4.552 0.003 . 1 . . 899 . . 74 ASP HA . 52309 1
406 . 1 . 1 74 74 ASP C C 13 176.073 0.004 . 1 . . 490 . . 74 ASP C . 52309 1
407 . 1 . 1 74 74 ASP CA C 13 54.026 0.022 . 1 . . 489 . . 74 ASP CA . 52309 1
408 . 1 . 1 74 74 ASP CB C 13 41.334 0.034 . 1 . . 488 . . 74 ASP CB . 52309 1
409 . 1 . 1 74 74 ASP N N 15 121.284 0.008 . 1 . . 280 . . 74 ASP N . 52309 1
410 . 1 . 1 75 75 PHE H H 1 8.209 0.003 . 1 . . 103 . . 75 PHE H . 52309 1
411 . 1 . 1 75 75 PHE HA H 1 4.504 . . 1 . . 898 . . 75 PHE HA . 52309 1
412 . 1 . 1 75 75 PHE C C 13 176.214 0.019 . 1 . . 487 . . 75 PHE C . 52309 1
413 . 1 . 1 75 75 PHE CA C 13 58.407 0.008 . 1 . . 486 . . 75 PHE CA . 52309 1
414 . 1 . 1 75 75 PHE CB C 13 39.298 0.018 . 1 . . 485 . . 75 PHE CB . 52309 1
415 . 1 . 1 75 75 PHE N N 15 121.101 0.015 . 1 . . 104 . . 75 PHE N . 52309 1
416 . 1 . 1 76 76 LYS H H 1 8.239 0.002 . 1 . . 107 . . 76 LYS H . 52309 1
417 . 1 . 1 76 76 LYS HA H 1 4.180 0.003 . 1 . . 897 . . 76 LYS HA . 52309 1
418 . 1 . 1 76 76 LYS C C 13 176.343 0.007 . 1 . . 484 . . 76 LYS C . 52309 1
419 . 1 . 1 76 76 LYS CA C 13 56.998 0.018 . 1 . . 482 . . 76 LYS CA . 52309 1
420 . 1 . 1 76 76 LYS CB C 13 32.744 0.035 . 1 . . 483 . . 76 LYS CB . 52309 1
421 . 1 . 1 76 76 LYS N N 15 121.842 0.008 . 1 . . 108 . . 76 LYS N . 52309 1
422 . 1 . 1 77 77 ASP H H 1 8.183 0.003 . 1 . . 185 . . 77 ASP H . 52309 1
423 . 1 . 1 77 77 ASP HA H 1 4.554 0.001 . 1 . . 896 . . 77 ASP HA . 52309 1
424 . 1 . 1 77 77 ASP C C 13 176.200 0.006 . 1 . . 481 . . 77 ASP C . 52309 1
425 . 1 . 1 77 77 ASP CA C 13 54.614 0.037 . 1 . . 480 . . 77 ASP CA . 52309 1
426 . 1 . 1 77 77 ASP CB C 13 41.192 0.025 . 1 . . 479 . . 77 ASP CB . 52309 1
427 . 1 . 1 77 77 ASP N N 15 120.153 0.005 . 1 . . 186 . . 77 ASP N . 52309 1
428 . 1 . 1 78 78 ARG H H 1 8.085 0.003 . 1 . . 177 . . 78 ARG H . 52309 1
429 . 1 . 1 78 78 ARG HA H 1 4.308 0.0 . 1 . . 895 . . 78 ARG HA . 52309 1
430 . 1 . 1 78 78 ARG C C 13 176.487 0.009 . 1 . . 478 . . 78 ARG C . 52309 1
431 . 1 . 1 78 78 ARG CA C 13 56.412 0.007 . 1 . . 477 . . 78 ARG CA . 52309 1
432 . 1 . 1 78 78 ARG CB C 13 30.775 0.028 . 1 . . 476 . . 78 ARG CB . 52309 1
433 . 1 . 1 78 78 ARG N N 15 120.856 0.008 . 1 . . 178 . . 78 ARG N . 52309 1
434 . 1 . 1 79 79 VAL H H 1 8.169 0.002 . 1 . . 53 . . 79 VAL H . 52309 1
435 . 1 . 1 79 79 VAL HA H 1 4.039 0.003 . 1 . . 894 . . 79 VAL HA . 52309 1
436 . 1 . 1 79 79 VAL C C 13 176.437 0.011 . 1 . . 475 . . 79 VAL C . 52309 1
437 . 1 . 1 79 79 VAL CA C 13 62.815 0.015 . 1 . . 473 . . 79 VAL CA . 52309 1
438 . 1 . 1 79 79 VAL CB C 13 32.548 0.03 . 1 . . 474 . . 79 VAL CB . 52309 1
439 . 1 . 1 79 79 VAL N N 15 121.397 0.01 . 1 . . 54 . . 79 VAL N . 52309 1
440 . 1 . 1 80 80 GLN H H 1 8.506 0.002 . 1 . . 143 . . 80 GLN H . 52309 1
441 . 1 . 1 80 80 GLN HA H 1 4.328 0.001 . 1 . . 893 . . 80 GLN HA . 52309 1
442 . 1 . 1 80 80 GLN C C 13 176.081 0.004 . 1 . . 472 . . 80 GLN C . 52309 1
443 . 1 . 1 80 80 GLN CA C 13 56.035 0.012 . 1 . . 470 . . 80 GLN CA . 52309 1
444 . 1 . 1 80 80 GLN CB C 13 29.450 0.025 . 1 . . 471 . . 80 GLN CB . 52309 1
445 . 1 . 1 80 80 GLN N N 15 124.147 0.017 . 1 . . 144 . . 80 GLN N . 52309 1
446 . 1 . 1 81 81 SER H H 1 8.354 0.002 . 1 . . 179 . . 81 SER H . 52309 1
447 . 1 . 1 81 81 SER HA H 1 4.406 0.001 . 1 . . 892 . . 81 SER HA . 52309 1
448 . 1 . 1 81 81 SER C C 13 174.519 0.01 . 1 . . 469 . . 81 SER C . 52309 1
449 . 1 . 1 81 81 SER CA C 13 58.521 0.024 . 1 . . 467 . . 81 SER CA . 52309 1
450 . 1 . 1 81 81 SER CB C 13 63.799 0.045 . 1 . . 468 . . 81 SER CB . 52309 1
451 . 1 . 1 81 81 SER N N 15 117.400 0.008 . 1 . . 180 . . 81 SER N . 52309 1
452 . 1 . 1 82 82 LYS H H 1 8.393 0.002 . 1 . . 123 . . 82 LYS H . 52309 1
453 . 1 . 1 82 82 LYS HA H 1 4.369 0.003 . 1 . . 891 . . 82 LYS HA . 52309 1
454 . 1 . 1 82 82 LYS C C 13 176.665 0.007 . 1 . . 466 . . 82 LYS C . 52309 1
455 . 1 . 1 82 82 LYS CA C 13 56.395 0.045 . 1 . . 464 . . 82 LYS CA . 52309 1
456 . 1 . 1 82 82 LYS CB C 13 32.960 0.034 . 1 . . 465 . . 82 LYS CB . 52309 1
457 . 1 . 1 82 82 LYS N N 15 123.393 0.006 . 1 . . 124 . . 82 LYS N . 52309 1
458 . 1 . 1 83 83 ILE H H 1 8.167 0.002 . 1 . . 45 . . 83 ILE H . 52309 1
459 . 1 . 1 83 83 ILE HA H 1 4.135 0.001 . 1 . . 890 . . 83 ILE HA . 52309 1
460 . 1 . 1 83 83 ILE C C 13 176.863 0.006 . 1 . . 414 . . 83 ILE C . 52309 1
461 . 1 . 1 83 83 ILE CA C 13 61.572 0.017 . 1 . . 412 . . 83 ILE CA . 52309 1
462 . 1 . 1 83 83 ILE CB C 13 38.476 0.018 . 1 . . 413 . . 83 ILE CB . 52309 1
463 . 1 . 1 83 83 ILE N N 15 122.102 0.014 . 1 . . 46 . . 83 ILE N . 52309 1
464 . 1 . 1 84 84 GLY H H 1 8.537 0.003 . 1 . . 197 . . 84 GLY H . 52309 1
465 . 1 . 1 84 84 GLY HA2 H 1 3.988 0.004 . 1 . . 883 . . 84 GLY HA2 . 52309 1
466 . 1 . 1 84 84 GLY C C 13 174.162 0.006 . 1 . . 411 . . 84 GLY C . 52309 1
467 . 1 . 1 84 84 GLY CA C 13 45.303 0.012 . 1 . . 410 . . 84 GLY CA . 52309 1
468 . 1 . 1 84 84 GLY N N 15 113.344 0.014 . 1 . . 198 . . 84 GLY N . 52309 1
469 . 1 . 1 85 85 SER H H 1 8.188 0.002 . 1 . . 139 . . 85 SER H . 52309 1
470 . 1 . 1 85 85 SER HA H 1 4.444 0.002 . 1 . . 882 . . 85 SER HA . 52309 1
471 . 1 . 1 85 85 SER C C 13 174.936 0.007 . 1 . . 445 . . 85 SER C . 52309 1
472 . 1 . 1 85 85 SER CA C 13 58.427 0.029 . 1 . . 440 . . 85 SER CA . 52309 1
473 . 1 . 1 85 85 SER CB C 13 63.945 0.034 . 1 . . 441 . . 85 SER CB . 52309 1
474 . 1 . 1 85 85 SER N N 15 115.564 0.009 . 1 . . 140 . . 85 SER N . 52309 1
475 . 1 . 1 86 86 LEU H H 1 8.427 0.002 . 1 . . 111 . . 86 LEU H . 52309 1
476 . 1 . 1 86 86 LEU HA H 1 4.382 0.001 . 1 . . 881 . . 86 LEU HA . 52309 1
477 . 1 . 1 86 86 LEU C C 13 177.264 0.011 . 1 . . 444 . . 86 LEU C . 52309 1
478 . 1 . 1 86 86 LEU CA C 13 55.352 0.04 . 1 . . 442 . . 86 LEU CA . 52309 1
479 . 1 . 1 86 86 LEU CB C 13 42.104 0.017 . 1 . . 443 . . 86 LEU CB . 52309 1
480 . 1 . 1 86 86 LEU N N 15 124.006 0.013 . 1 . . 112 . . 86 LEU N . 52309 1
481 . 1 . 1 87 87 ASP H H 1 8.227 0.002 . 1 . . 169 . . 87 ASP H . 52309 1
482 . 1 . 1 87 87 ASP HA H 1 4.560 0.002 . 1 . . 880 . . 87 ASP HA . 52309 1
483 . 1 . 1 87 87 ASP C C 13 175.988 0.007 . 1 . . 448 . . 87 ASP C . 52309 1
484 . 1 . 1 87 87 ASP CA C 13 54.560 0.013 . 1 . . 447 . . 87 ASP CA . 52309 1
485 . 1 . 1 87 87 ASP CB C 13 41.160 0.03 . 1 . . 446 . . 87 ASP CB . 52309 1
486 . 1 . 1 87 87 ASP N N 15 120.256 0.013 . 1 . . 170 . . 87 ASP N . 52309 1
487 . 1 . 1 88 88 ASN H H 1 8.310 0.001 . 1 . . 95 . . 88 ASN H . 52309 1
488 . 1 . 1 88 88 ASN HA H 1 4.686 0.002 . 1 . . 879 . . 88 ASN HA . 52309 1
489 . 1 . 1 88 88 ASN C C 13 175.151 0.008 . 1 . . 451 . . 88 ASN C . 52309 1
490 . 1 . 1 88 88 ASN CA C 13 53.413 0.035 . 1 . . 450 . . 88 ASN CA . 52309 1
491 . 1 . 1 88 88 ASN CB C 13 38.752 0.028 . 1 . . 449 . . 88 ASN CB . 52309 1
492 . 1 . 1 88 88 ASN N N 15 118.587 0.007 . 1 . . 96 . . 88 ASN N . 52309 1
493 . 1 . 1 89 89 ILE H H 1 8.045 0.001 . 1 . . 249 . . 89 ILE H . 52309 1
494 . 1 . 1 89 89 ILE HA H 1 4.206 0.002 . 1 . . 878 . . 89 ILE HA . 52309 1
495 . 1 . 1 89 89 ILE C C 13 176.395 0.007 . 1 . . 454 . . 89 ILE C . 52309 1
496 . 1 . 1 89 89 ILE CA C 13 61.325 0.02 . 1 . . 453 . . 89 ILE CA . 52309 1
497 . 1 . 1 89 89 ILE CB C 13 38.683 0.036 . 1 . . 452 . . 89 ILE CB . 52309 1
498 . 1 . 1 89 89 ILE N N 15 120.472 0.009 . 1 . . 250 . . 89 ILE N . 52309 1
499 . 1 . 1 90 90 THR H H 1 8.238 0.003 . 1 . . 141 . . 90 THR H . 52309 1
500 . 1 . 1 90 90 THR HA H 1 4.277 0.002 . 1 . . 877 . . 90 THR HA . 52309 1
501 . 1 . 1 90 90 THR C C 13 174.172 0.013 . 1 . . 457 . . 90 THR C . 52309 1
502 . 1 . 1 90 90 THR CA C 13 62.071 0.018 . 1 . . 455 . . 90 THR CA . 52309 1
503 . 1 . 1 90 90 THR CB C 13 69.755 0.022 . 1 . . 456 . . 90 THR CB . 52309 1
504 . 1 . 1 90 90 THR N N 15 117.875 0.006 . 1 . . 142 . . 90 THR N . 52309 1
505 . 1 . 1 91 91 HIS H H 1 8.450 0.003 . 1 . . 57 . . 91 HIS H . 52309 1
506 . 1 . 1 91 91 HIS HA H 1 4.718 0.003 . 1 . . 876 . . 91 HIS HA . 52309 1
507 . 1 . 1 91 91 HIS C C 13 174.287 0.003 . 1 . . 460 . . 91 HIS C . 52309 1
508 . 1 . 1 91 91 HIS CA C 13 55.492 0.012 . 1 . . 458 . . 91 HIS CA . 52309 1
509 . 1 . 1 91 91 HIS CB C 13 29.707 0.025 . 1 . . 459 . . 91 HIS CB . 52309 1
510 . 1 . 1 91 91 HIS N N 15 122.063 0.007 . 1 . . 58 . . 91 HIS N . 52309 1
511 . 1 . 1 92 92 VAL H H 1 8.241 0.002 . 1 . . 89 . . 92 VAL H . 52309 1
512 . 1 . 1 92 92 VAL HA H 1 4.407 0.003 . 1 . . 822 . . 92 VAL HA . 52309 1
513 . 1 . 1 92 92 VAL C C 13 174.438 0.004 . 1 . . 463 . . 92 VAL C . 52309 1
514 . 1 . 1 92 92 VAL CA C 13 59.849 0.01 . 1 . . 461 . . 92 VAL CA . 52309 1
515 . 1 . 1 92 92 VAL CB C 13 32.609 0.1 . 1 . . 462 . . 92 VAL CB . 52309 1
516 . 1 . 1 92 92 VAL N N 15 123.569 0.01 . 1 . . 90 . . 92 VAL N . 52309 1
517 . 1 . 1 93 93 PRO HA H 1 4.414 . . 1 . . 885 . . 93 PRO HA . 52309 1
518 . 1 . 1 93 93 PRO CA C 13 63.593 . . 1 . . 884 . . 93 PRO CA . 52309 1
519 . 1 . 1 93 93 PRO N N 15 140.160 0.001 . 1 . . 823 . . 93 PRO N . 52309 1
520 . 1 . 1 96 96 GLY H H 1 8.397 0.001 . 1 . . 665 . . 96 GLY H . 52309 1
521 . 1 . 1 96 96 GLY HA2 H 1 3.998 0.001 . 1 . . 875 . . 96 GLY HA2 . 52309 1
522 . 1 . 1 96 96 GLY C C 13 173.996 0.008 . 1 . . 668 . . 96 GLY C . 52309 1
523 . 1 . 1 96 96 GLY CA C 13 45.305 0.04 . 1 . . 667 . . 96 GLY CA . 52309 1
524 . 1 . 1 96 96 GLY N N 15 108.846 0.007 . 1 . . 666 . . 96 GLY N . 52309 1
525 . 1 . 1 97 97 ASN H H 1 8.383 0.001 . 1 . . 79 . . 97 ASN H . 52309 1
526 . 1 . 1 97 97 ASN HA H 1 4.700 0.003 . 1 . . 874 . . 97 ASN HA . 52309 1
527 . 1 . 1 97 97 ASN C C 13 175.273 0.016 . 1 . . 664 . . 97 ASN C . 52309 1
528 . 1 . 1 97 97 ASN CA C 13 53.254 0.037 . 1 . . 663 . . 97 ASN CA . 52309 1
529 . 1 . 1 97 97 ASN CB C 13 38.963 0.014 . 1 . . 662 . . 97 ASN CB . 52309 1
530 . 1 . 1 97 97 ASN N N 15 118.633 0.013 . 1 . . 80 . . 97 ASN N . 52309 1
531 . 1 . 1 98 98 LYS H H 1 8.318 0.002 . 1 . . 99 . . 98 LYS H . 52309 1
532 . 1 . 1 98 98 LYS HA H 1 4.285 0.002 . 1 . . 873 . . 98 LYS HA . 52309 1
533 . 1 . 1 98 98 LYS C C 13 176.424 . . 1 . . 661 . . 98 LYS C . 52309 1
534 . 1 . 1 98 98 LYS CA C 13 56.376 0.023 . 1 . . 659 . . 98 LYS CA . 52309 1
535 . 1 . 1 98 98 LYS CB C 13 32.968 0.089 . 1 . . 660 . . 98 LYS CB . 52309 1
536 . 1 . 1 98 98 LYS N N 15 121.896 0.006 . 1 . . 100 . . 98 LYS N . 52309 1
537 . 1 . 1 99 99 LYS H H 1 8.375 0.001 . 1 . . 69 . . 99 LYS H . 52309 1
538 . 1 . 1 99 99 LYS HA H 1 4.296 0.001 . 1 . . 872 . . 99 LYS HA . 52309 1
539 . 1 . 1 99 99 LYS C C 13 176.423 0.008 . 1 . . 658 . . 99 LYS C . 52309 1
540 . 1 . 1 99 99 LYS CA C 13 56.366 0.015 . 1 . . 656 . . 99 LYS CA . 52309 1
541 . 1 . 1 99 99 LYS CB C 13 32.940 0.029 . 1 . . 657 . . 99 LYS CB . 52309 1
542 . 1 . 1 99 99 LYS N N 15 123.232 0.017 . 1 . . 70 . . 99 LYS N . 52309 1
543 . 1 . 1 100 100 ILE H H 1 8.233 0.002 . 1 . . 157 . . 100 ILE H . 52309 1
544 . 1 . 1 100 100 ILE HA H 1 4.142 0.004 . 1 . . 871 . . 100 ILE HA . 52309 1
545 . 1 . 1 100 100 ILE C C 13 176.175 0.0 . 1 . . 655 . . 100 ILE C . 52309 1
546 . 1 . 1 100 100 ILE CA C 13 61.012 0.035 . 1 . . 653 . . 100 ILE CA . 52309 1
547 . 1 . 1 100 100 ILE CB C 13 38.584 0.078 . 1 . . 654 . . 100 ILE CB . 52309 1
548 . 1 . 1 100 100 ILE N N 15 123.195 0.014 . 1 . . 158 . . 100 ILE N . 52309 1
549 . 1 . 1 101 101 GLU H H 1 8.565 0.003 . 1 . . 205 . . 101 GLU H . 52309 1
550 . 1 . 1 101 101 GLU HA H 1 4.384 0.002 . 1 . . 870 . . 101 GLU HA . 52309 1
551 . 1 . 1 101 101 GLU C C 13 176.463 0.006 . 1 . . 652 . . 101 GLU C . 52309 1
552 . 1 . 1 101 101 GLU CA C 13 56.247 0.025 . 1 . . 650 . . 101 GLU CA . 52309 1
553 . 1 . 1 101 101 GLU CB C 13 30.470 0.011 . 1 . . 651 . . 101 GLU CB . 52309 1
554 . 1 . 1 101 101 GLU N N 15 126.033 0.004 . 1 . . 206 . . 101 GLU N . 52309 1
555 . 1 . 1 102 102 THR H H 1 8.261 0.002 . 1 . . 235 . . 102 THR H . 52309 1
556 . 1 . 1 102 102 THR HA H 1 4.258 0.001 . 1 . . 869 . . 102 THR HA . 52309 1
557 . 1 . 1 102 102 THR C C 13 174.472 0.008 . 1 . . 649 . . 102 THR C . 52309 1
558 . 1 . 1 102 102 THR CA C 13 62.090 0.012 . 1 . . 647 . . 102 THR CA . 52309 1
559 . 1 . 1 102 102 THR CB C 13 69.855 . . 1 . . 648 . . 102 THR CB . 52309 1
560 . 1 . 1 102 102 THR N N 15 115.946 0.005 . 1 . . 236 . . 102 THR N . 52309 1
561 . 1 . 1 103 103 HIS H H 1 8.542 0.001 . 1 . . 21 . . 103 HIS H . 52309 1
562 . 1 . 1 103 103 HIS HA H 1 4.679 0.003 . 1 . . 868 . . 103 HIS HA . 52309 1
563 . 1 . 1 103 103 HIS C C 13 174.586 0.01 . 1 . . 646 . . 103 HIS C . 52309 1
564 . 1 . 1 103 103 HIS CA C 13 55.733 0.02 . 1 . . 644 . . 103 HIS CA . 52309 1
565 . 1 . 1 103 103 HIS CB C 13 29.684 0.042 . 1 . . 645 . . 103 HIS CB . 52309 1
566 . 1 . 1 103 103 HIS N N 15 121.274 0.011 . 1 . . 22 . . 103 HIS N . 52309 1
567 . 1 . 1 104 104 LYS H H 1 8.351 0.001 . 1 . . 207 . . 104 LYS H . 52309 1
568 . 1 . 1 104 104 LYS HA H 1 4.269 0.001 . 1 . . 867 . . 104 LYS HA . 52309 1
569 . 1 . 1 104 104 LYS C C 13 176.440 0.003 . 1 . . 643 . . 104 LYS C . 52309 1
570 . 1 . 1 104 104 LYS CA C 13 56.525 0.036 . 1 . . 642 . . 104 LYS CA . 52309 1
571 . 1 . 1 104 104 LYS CB C 13 33.049 0.121 . 1 . . 641 . . 104 LYS CB . 52309 1
572 . 1 . 1 104 104 LYS N N 15 122.830 0.006 . 1 . . 208 . . 104 LYS N . 52309 1
573 . 1 . 1 105 105 LEU H H 1 8.384 0.002 . 1 . . 636 . . 105 LEU H . 52309 1
574 . 1 . 1 105 105 LEU HA H 1 4.383 0.002 . 1 . . 866 . . 105 LEU HA . 52309 1
575 . 1 . 1 105 105 LEU C C 13 177.395 0.011 . 1 . . 640 . . 105 LEU C . 52309 1
576 . 1 . 1 105 105 LEU CA C 13 55.258 0.012 . 1 . . 639 . . 105 LEU CA . 52309 1
577 . 1 . 1 105 105 LEU CB C 13 42.309 0.03 . 1 . . 638 . . 105 LEU CB . 52309 1
578 . 1 . 1 105 105 LEU N N 15 123.811 0.005 . 1 . . 637 . . 105 LEU N . 52309 1
579 . 1 . 1 106 106 THR H H 1 8.111 0.001 . 1 . . 81 . . 106 THR H . 52309 1
580 . 1 . 1 106 106 THR HA H 1 4.297 0.003 . 1 . . 865 . . 106 THR HA . 52309 1
581 . 1 . 1 106 106 THR C C 13 174.138 0.001 . 1 . . 635 . . 106 THR C . 52309 1
582 . 1 . 1 106 106 THR CA C 13 61.705 0.032 . 1 . . 633 . . 106 THR CA . 52309 1
583 . 1 . 1 106 106 THR CB C 13 70.107 0.031 . 1 . . 634 . . 106 THR CB . 52309 1
584 . 1 . 1 106 106 THR N N 15 114.886 0.012 . 1 . . 82 . . 106 THR N . 52309 1
585 . 1 . 1 107 107 PHE H H 1 8.310 0.003 . 1 . . 271 . . 107 PHE H . 52309 1
586 . 1 . 1 107 107 PHE HA H 1 4.601 0.002 . 1 . . 864 . . 107 PHE HA . 52309 1
587 . 1 . 1 107 107 PHE C C 13 175.583 0.001 . 1 . . 632 . . 107 PHE C . 52309 1
588 . 1 . 1 107 107 PHE CA C 13 58.081 0.013 . 1 . . 630 . . 107 PHE CA . 52309 1
589 . 1 . 1 107 107 PHE CB C 13 39.687 0.033 . 1 . . 631 . . 107 PHE CB . 52309 1
590 . 1 . 1 107 107 PHE N N 15 122.733 0.004 . 1 . . 272 . . 107 PHE N . 52309 1
591 . 1 . 1 108 108 ARG H H 1 8.214 0.002 . 1 . . 221 . . 108 ARG H . 52309 1
592 . 1 . 1 108 108 ARG HA H 1 4.245 0.002 . 1 . . 863 . . 108 ARG HA . 52309 1
593 . 1 . 1 108 108 ARG C C 13 176.046 0.008 . 1 . . 629 . . 108 ARG C . 52309 1
594 . 1 . 1 108 108 ARG CA C 13 56.106 0.009 . 1 . . 627 . . 108 ARG CA . 52309 1
595 . 1 . 1 108 108 ARG CB C 13 30.941 0.04 . 1 . . 628 . . 108 ARG CB . 52309 1
596 . 1 . 1 108 108 ARG N N 15 122.969 0.007 . 1 . . 222 . . 108 ARG N . 52309 1
597 . 1 . 1 109 109 GLU H H 1 8.404 0.002 . 1 . . 31 . . 109 GLU H . 52309 1
598 . 1 . 1 109 109 GLU HA H 1 4.177 0.003 . 1 . . 862 . . 109 GLU HA . 52309 1
599 . 1 . 1 109 109 GLU C C 13 176.429 0.006 . 1 . . 626 . . 109 GLU C . 52309 1
600 . 1 . 1 109 109 GLU CA C 13 56.908 0.026 . 1 . . 625 . . 109 GLU CA . 52309 1
601 . 1 . 1 109 109 GLU CB C 13 30.237 0.03 . 1 . . 624 . . 109 GLU CB . 52309 1
602 . 1 . 1 109 109 GLU N N 15 122.118 0.012 . 1 . . 32 . . 109 GLU N . 52309 1
603 . 1 . 1 110 110 ASN H H 1 8.501 0.003 . 1 . . 91 . . 110 ASN H . 52309 1
604 . 1 . 1 110 110 ASN HA H 1 4.648 0.001 . 1 . . 861 . . 110 ASN HA . 52309 1
605 . 1 . 1 110 110 ASN C C 13 175.174 0.009 . 1 . . 623 . . 110 ASN C . 52309 1
606 . 1 . 1 110 110 ASN CA C 13 53.340 0.012 . 1 . . 621 . . 110 ASN CA . 52309 1
607 . 1 . 1 110 110 ASN CB C 13 38.771 0.017 . 1 . . 622 . . 110 ASN CB . 52309 1
608 . 1 . 1 110 110 ASN N N 15 119.826 0.014 . 1 . . 92 . . 110 ASN N . 52309 1
609 . 1 . 1 111 111 ALA H H 1 8.261 0.002 . 1 . . 43 . . 111 ALA H . 52309 1
610 . 1 . 1 111 111 ALA HA H 1 4.249 0.003 . 1 . . 860 . . 111 ALA HA . 52309 1
611 . 1 . 1 111 111 ALA C C 13 177.881 0.008 . 1 . . 620 . . 111 ALA C . 52309 1
612 . 1 . 1 111 111 ALA CA C 13 52.971 0.03 . 1 . . 618 . . 111 ALA CA . 52309 1
613 . 1 . 1 111 111 ALA CB C 13 19.140 0.021 . 1 . . 619 . . 111 ALA CB . 52309 1
614 . 1 . 1 111 111 ALA N N 15 124.418 0.009 . 1 . . 44 . . 111 ALA N . 52309 1
615 . 1 . 1 112 112 LYS H H 1 8.204 0.002 . 1 . . 265 . . 112 LYS H . 52309 1
616 . 1 . 1 112 112 LYS HA H 1 4.255 0.002 . 1 . . 859 . . 112 LYS HA . 52309 1
617 . 1 . 1 112 112 LYS C C 13 176.498 0.003 . 1 . . 617 . . 112 LYS C . 52309 1
618 . 1 . 1 112 112 LYS CA C 13 56.342 0.009 . 1 . . 615 . . 112 LYS CA . 52309 1
619 . 1 . 1 112 112 LYS CB C 13 32.914 0.028 . 1 . . 616 . . 112 LYS CB . 52309 1
620 . 1 . 1 112 112 LYS N N 15 120.111 0.006 . 1 . . 266 . . 112 LYS N . 52309 1
621 . 1 . 1 113 113 ALA H H 1 8.208 0.002 . 1 . . 85 . . 113 ALA H . 52309 1
622 . 1 . 1 113 113 ALA HA H 1 4.288 0.002 . 1 . . 858 . . 113 ALA HA . 52309 1
623 . 1 . 1 113 113 ALA C C 13 177.813 0.004 . 1 . . 614 . . 113 ALA C . 52309 1
624 . 1 . 1 113 113 ALA CA C 13 52.552 0.023 . 1 . . 612 . . 113 ALA CA . 52309 1
625 . 1 . 1 113 113 ALA CB C 13 19.319 0.009 . 1 . . 613 . . 113 ALA CB . 52309 1
626 . 1 . 1 113 113 ALA N N 15 124.874 0.025 . 1 . . 86 . . 113 ALA N . 52309 1
627 . 1 . 1 114 114 LYS H H 1 8.336 0.002 . 1 . . 245 . . 114 LYS H . 52309 1
628 . 1 . 1 114 114 LYS HA H 1 4.355 0.001 . 1 . . 857 . . 114 LYS HA . 52309 1
629 . 1 . 1 114 114 LYS C C 13 176.891 0.007 . 1 . . 611 . . 114 LYS C . 52309 1
630 . 1 . 1 114 114 LYS CA C 13 56.478 0.035 . 1 . . 609 . . 114 LYS CA . 52309 1
631 . 1 . 1 114 114 LYS CB C 13 33.020 0.01 . 1 . . 610 . . 114 LYS CB . 52309 1
632 . 1 . 1 114 114 LYS N N 15 120.811 0.006 . 1 . . 246 . . 114 LYS N . 52309 1
633 . 1 . 1 115 115 THR H H 1 8.158 0.003 . 1 . . 215 . . 115 THR H . 52309 1
634 . 1 . 1 115 115 THR HA H 1 4.335 0.0 . 1 . . 855 . . 115 THR HA . 52309 1
635 . 1 . 1 115 115 THR C C 13 174.182 0.007 . 1 . . 608 . . 115 THR C . 52309 1
636 . 1 . 1 115 115 THR CA C 13 61.612 0.012 . 1 . . 606 . . 115 THR CA . 52309 1
637 . 1 . 1 115 115 THR CB C 13 69.926 0.041 . 1 . . 607 . . 115 THR CB . 52309 1
638 . 1 . 1 115 115 THR N N 15 114.657 0.005 . 1 . . 216 . . 115 THR N . 52309 1
639 . 1 . 1 116 116 ASP H H 1 8.360 0.002 . 1 . . 273 . . 116 ASP H . 52309 1
640 . 1 . 1 116 116 ASP HA H 1 4.596 0.004 . 1 . . 854 . . 116 ASP HA . 52309 1
641 . 1 . 1 116 116 ASP C C 13 176.353 0.013 . 1 . . 605 . . 116 ASP C . 52309 1
642 . 1 . 1 116 116 ASP CA C 13 54.272 0.065 . 1 . . 603 . . 116 ASP CA . 52309 1
643 . 1 . 1 116 116 ASP CB C 13 41.232 0.057 . 1 . . 604 . . 116 ASP CB . 52309 1
644 . 1 . 1 116 116 ASP N N 15 122.698 0.011 . 1 . . 274 . . 116 ASP N . 52309 1
645 . 1 . 1 117 117 HIS H H 1 8.504 0.002 . 1 . . 241 . . 117 HIS H . 52309 1
646 . 1 . 1 117 117 HIS HA H 1 4.672 0.004 . 1 . . 853 . . 117 HIS HA . 52309 1
647 . 1 . 1 117 117 HIS C C 13 175.361 0.01 . 1 . . 602 . . 117 HIS C . 52309 1
648 . 1 . 1 117 117 HIS CA C 13 55.850 0.012 . 1 . . 600 . . 117 HIS CA . 52309 1
649 . 1 . 1 117 117 HIS CB C 13 29.161 0.022 . 1 . . 601 . . 117 HIS CB . 52309 1
650 . 1 . 1 117 117 HIS N N 15 119.512 0.007 . 1 . . 242 . . 117 HIS N . 52309 1
651 . 1 . 1 118 118 GLY H H 1 8.535 0.002 . 1 . . 187 . . 118 GLY H . 52309 1
652 . 1 . 1 118 118 GLY HA2 H 1 3.946 0.003 . 1 . . 852 . . 118 GLY HA2 . 52309 1
653 . 1 . 1 118 118 GLY C C 13 173.935 0.008 . 1 . . 578 . . 118 GLY C . 52309 1
654 . 1 . 1 118 118 GLY CA C 13 45.511 0.004 . 1 . . 577 . . 118 GLY CA . 52309 1
655 . 1 . 1 118 118 GLY N N 15 109.944 0.01 . 1 . . 188 . . 118 GLY N . 52309 1
656 . 1 . 1 119 119 ALA H H 1 8.187 0.002 . 1 . . 275 . . 119 ALA H . 52309 1
657 . 1 . 1 119 119 ALA HA H 1 4.341 0.001 . 1 . . 851 . . 119 ALA HA . 52309 1
658 . 1 . 1 119 119 ALA C C 13 177.665 0.001 . 1 . . 581 . . 119 ALA C . 52309 1
659 . 1 . 1 119 119 ALA CA C 13 52.407 0.006 . 1 . . 579 . . 119 ALA CA . 52309 1
660 . 1 . 1 119 119 ALA CB C 13 19.398 0.023 . 1 . . 580 . . 119 ALA CB . 52309 1
661 . 1 . 1 119 119 ALA N N 15 123.748 0.008 . 1 . . 276 . . 119 ALA N . 52309 1
662 . 1 . 1 120 120 GLU H H 1 8.413 0.003 . 1 . . 167 . . 120 GLU H . 52309 1
663 . 1 . 1 120 120 GLU HA H 1 4.258 0.001 . 1 . . 850 . . 120 GLU HA . 52309 1
664 . 1 . 1 120 120 GLU C C 13 176.353 0.006 . 1 . . 584 . . 120 GLU C . 52309 1
665 . 1 . 1 120 120 GLU CA C 13 56.532 0.028 . 1 . . 582 . . 120 GLU CA . 52309 1
666 . 1 . 1 120 120 GLU CB C 13 30.134 0.039 . 1 . . 583 . . 120 GLU CB . 52309 1
667 . 1 . 1 120 120 GLU N N 15 120.275 0.008 . 1 . . 168 . . 120 GLU N . 52309 1
668 . 1 . 1 121 121 ILE H H 1 8.184 0.002 . 1 . . 209 . . 121 ILE H . 52309 1
669 . 1 . 1 121 121 ILE HA H 1 4.075 0.003 . 1 . . 849 . . 121 ILE HA . 52309 1
670 . 1 . 1 121 121 ILE C C 13 175.802 0.014 . 1 . . 585 . . 121 ILE C . 52309 1
671 . 1 . 1 121 121 ILE CA C 13 61.092 0.013 . 1 . . 586 . . 121 ILE CA . 52309 1
672 . 1 . 1 121 121 ILE CB C 13 38.570 0.031 . 1 . . 587 . . 121 ILE CB . 52309 1
673 . 1 . 1 121 121 ILE N N 15 123.034 0.008 . 1 . . 210 . . 121 ILE N . 52309 1
674 . 1 . 1 122 122 VAL H H 1 8.158 0.002 . 1 . . 293 . . 122 VAL H . 52309 1
675 . 1 . 1 122 122 VAL HA H 1 4.061 0.003 . 1 . . 848 . . 122 VAL HA . 52309 1
676 . 1 . 1 122 122 VAL C C 13 175.610 0.006 . 1 . . 590 . . 122 VAL C . 52309 1
677 . 1 . 1 122 122 VAL CA C 13 62.028 0.009 . 1 . . 589 . . 122 VAL CA . 52309 1
678 . 1 . 1 122 122 VAL CB C 13 32.846 0.048 . 1 . . 588 . . 122 VAL CB . 52309 1
679 . 1 . 1 122 122 VAL N N 15 125.276 0.012 . 1 . . 294 . . 122 VAL N . 52309 1
680 . 1 . 1 123 123 TYR H H 1 8.412 0.001 . 1 . . 253 . . 123 TYR H . 52309 1
681 . 1 . 1 123 123 TYR HA H 1 4.531 0.002 . 1 . . 847 . . 123 TYR HA . 52309 1
682 . 1 . 1 123 123 TYR C C 13 175.318 0.003 . 1 . . 593 . . 123 TYR C . 52309 1
683 . 1 . 1 123 123 TYR CA C 13 58.045 0.02 . 1 . . 591 . . 123 TYR CA . 52309 1
684 . 1 . 1 123 123 TYR CB C 13 38.949 0.041 . 1 . . 592 . . 123 TYR CB . 52309 1
685 . 1 . 1 123 123 TYR N N 15 125.692 0.014 . 1 . . 254 . . 123 TYR N . 52309 1
686 . 1 . 1 124 124 LYS H H 1 8.145 0.002 . 1 . . 63 . . 124 LYS H . 52309 1
687 . 1 . 1 124 124 LYS HA H 1 4.299 0.002 . 1 . . 846 . . 124 LYS HA . 52309 1
688 . 1 . 1 124 124 LYS C C 13 175.568 0.008 . 1 . . 596 . . 124 LYS C . 52309 1
689 . 1 . 1 124 124 LYS CA C 13 55.603 0.014 . 1 . . 594 . . 124 LYS CA . 52309 1
690 . 1 . 1 124 124 LYS CB C 13 33.542 0.051 . 1 . . 595 . . 124 LYS CB . 52309 1
691 . 1 . 1 124 124 LYS N N 15 124.698 0.01 . 1 . . 64 . . 124 LYS N . 52309 1
692 . 1 . 1 125 125 SER H H 1 8.344 0.002 . 1 . . 41 . . 125 SER H . 52309 1
693 . 1 . 1 125 125 SER HA H 1 4.641 0.0 . 1 . . 830 . . 125 SER HA . 52309 1
694 . 1 . 1 125 125 SER C C 13 172.867 0.002 . 1 . . 599 . . 125 SER C . 52309 1
695 . 1 . 1 125 125 SER CA C 13 56.519 0.001 . 1 . . 597 . . 125 SER CA . 52309 1
696 . 1 . 1 125 125 SER CB C 13 63.298 0.003 . 1 . . 598 . . 125 SER CB . 52309 1
697 . 1 . 1 125 125 SER N N 15 119.296 0.011 . 1 . . 42 . . 125 SER N . 52309 1
698 . 1 . 1 126 126 PRO HA H 1 4.428 . . 1 . . 930 . . 126 PRO HA . 52309 1
699 . 1 . 1 126 126 PRO C C 13 176.726 0.003 . 1 . . 430 . . 126 PRO C . 52309 1
700 . 1 . 1 126 126 PRO CA C 13 63.324 0.096 . 1 . . 427 . . 126 PRO CA . 52309 1
701 . 1 . 1 126 126 PRO CB C 13 32.114 . . 1 . . 428 . . 126 PRO CB . 52309 1
702 . 1 . 1 126 126 PRO N N 15 137.926 0.031 . 1 . . 831 . . 126 PRO N . 52309 1
703 . 1 . 1 127 127 VAL H H 1 8.213 0.001 . 1 . . 127 . . 127 VAL H . 52309 1
704 . 1 . 1 127 127 VAL HA H 1 4.069 0.001 . 1 . . 845 . . 127 VAL HA . 52309 1
705 . 1 . 1 127 127 VAL C C 13 176.327 0.007 . 1 . . 429 . . 127 VAL C . 52309 1
706 . 1 . 1 127 127 VAL CA C 13 62.529 0.011 . 1 . . 426 . . 127 VAL CA . 52309 1
707 . 1 . 1 127 127 VAL CB C 13 32.601 0.036 . 1 . . 425 . . 127 VAL CB . 52309 1
708 . 1 . 1 127 127 VAL N N 15 120.987 0.013 . 1 . . 128 . . 127 VAL N . 52309 1
709 . 1 . 1 128 128 VAL H H 1 8.317 0.002 . 1 . . 420 . . 128 VAL H . 52309 1
710 . 1 . 1 128 128 VAL HA H 1 4.185 0.002 . 1 . . 844 . . 128 VAL HA . 52309 1
711 . 1 . 1 128 128 VAL C C 13 176.078 0.006 . 1 . . 424 . . 128 VAL C . 52309 1
712 . 1 . 1 128 128 VAL CA C 13 62.008 0.024 . 1 . . 422 . . 128 VAL CA . 52309 1
713 . 1 . 1 128 128 VAL CB C 13 32.824 0.104 . 1 . . 423 . . 128 VAL CB . 52309 1
714 . 1 . 1 128 128 VAL N N 15 124.853 0.004 . 1 . . 421 . . 128 VAL N . 52309 1
715 . 1 . 1 129 129 SER H H 1 8.462 0.002 . 1 . . 195 . . 129 SER H . 52309 1
716 . 1 . 1 129 129 SER HA H 1 4.450 0.002 . 1 . . 843 . . 129 SER HA . 52309 1
717 . 1 . 1 129 129 SER C C 13 174.998 0.005 . 1 . . 419 . . 129 SER C . 52309 1
718 . 1 . 1 129 129 SER CA C 13 58.377 0.026 . 1 . . 417 . . 129 SER CA . 52309 1
719 . 1 . 1 129 129 SER CB C 13 63.949 0.011 . 1 . . 418 . . 129 SER CB . 52309 1
720 . 1 . 1 129 129 SER N N 15 120.116 0.008 . 1 . . 196 . . 129 SER N . 52309 1
721 . 1 . 1 130 130 GLY H H 1 8.484 0.002 . 1 . . 285 . . 130 GLY H . 52309 1
722 . 1 . 1 130 130 GLY HA2 H 1 3.986 0.001 . 1 . . 842 . . 130 GLY HA2 . 52309 1
723 . 1 . 1 130 130 GLY C C 13 173.855 0.001 . 1 . . 416 . . 130 GLY C . 52309 1
724 . 1 . 1 130 130 GLY CA C 13 45.361 0.013 . 1 . . 415 . . 130 GLY CA . 52309 1
725 . 1 . 1 130 130 GLY N N 15 111.340 0.008 . 1 . . 286 . . 130 GLY N . 52309 1
726 . 1 . 1 131 131 ASP H H 1 8.287 0.001 . 1 . . 223 . . 131 ASP H . 52309 1
727 . 1 . 1 131 131 ASP HA H 1 4.670 0.002 . 1 . . 841 . . 131 ASP HA . 52309 1
728 . 1 . 1 131 131 ASP C C 13 176.730 0.004 . 1 . . 433 . . 131 ASP C . 52309 1
729 . 1 . 1 131 131 ASP CA C 13 54.385 0.014 . 1 . . 431 . . 131 ASP CA . 52309 1
730 . 1 . 1 131 131 ASP CB C 13 41.214 0.034 . 1 . . 432 . . 131 ASP CB . 52309 1
731 . 1 . 1 131 131 ASP N N 15 120.586 0.016 . 1 . . 224 . . 131 ASP N . 52309 1
732 . 1 . 1 132 132 THR H H 1 8.218 0.002 . 1 . . 61 . . 132 THR H . 52309 1
733 . 1 . 1 132 132 THR HA H 1 4.371 0.001 . 1 . . 840 . . 132 THR HA . 52309 1
734 . 1 . 1 132 132 THR C C 13 174.648 0.002 . 1 . . 436 . . 132 THR C . 52309 1
735 . 1 . 1 132 132 THR CA C 13 61.598 0.016 . 1 . . 434 . . 132 THR CA . 52309 1
736 . 1 . 1 132 132 THR CB C 13 69.618 0.03 . 1 . . 435 . . 132 THR CB . 52309 1
737 . 1 . 1 132 132 THR N N 15 114.309 0.012 . 1 . . 62 . . 132 THR N . 52309 1
738 . 1 . 1 133 133 SER H H 1 8.346 0.002 . 1 . . 7 . . 133 SER H . 52309 1
739 . 1 . 1 133 133 SER HA H 1 4.710 0.004 . 1 . . 821 . . 133 SER HA . 52309 1
740 . 1 . 1 133 133 SER C C 13 172.786 0.011 . 1 . . 439 . . 133 SER C . 52309 1
741 . 1 . 1 133 133 SER CA C 13 56.951 0.013 . 1 . . 437 . . 133 SER CA . 52309 1
742 . 1 . 1 133 133 SER CB C 13 63.192 0.03 . 1 . . 438 . . 133 SER CB . 52309 1
743 . 1 . 1 133 133 SER N N 15 119.919 0.011 . 1 . . 8 . . 133 SER N . 52309 1
744 . 1 . 1 134 134 PRO HA H 1 4.430 . . 1 . . 932 . . 134 PRO HA . 52309 1
745 . 1 . 1 134 134 PRO C C 13 177.055 0.002 . 1 . . 409 . . 134 PRO C . 52309 1
746 . 1 . 1 134 134 PRO CA C 13 63.504 0.032 . 1 . . 406 . . 134 PRO CA . 52309 1
747 . 1 . 1 134 134 PRO CB C 13 32.063 . . 1 . . 407 . . 134 PRO CB . 52309 1
748 . 1 . 1 134 134 PRO N N 15 137.915 0.015 . 1 . . 832 . . 134 PRO N . 52309 1
749 . 1 . 1 135 135 ARG H H 1 8.376 0.002 . 1 . . 163 . . 135 ARG H . 52309 1
750 . 1 . 1 135 135 ARG HA H 1 4.246 0.001 . 1 . . 839 . . 135 ARG HA . 52309 1
751 . 1 . 1 135 135 ARG C C 13 176.247 . . 1 . . 408 . . 135 ARG C . 52309 1
752 . 1 . 1 135 135 ARG CA C 13 56.196 0.016 . 1 . . 405 . . 135 ARG CA . 52309 1
753 . 1 . 1 135 135 ARG CB C 13 30.759 0.033 . 1 . . 404 . . 135 ARG CB . 52309 1
754 . 1 . 1 135 135 ARG N N 15 120.864 0.005 . 1 . . 164 . . 135 ARG N . 52309 1
755 . 1 . 1 136 136 HIS H H 1 8.434 0.001 . 1 . . 229 . . 136 HIS H . 52309 1
756 . 1 . 1 136 136 HIS HA H 1 4.674 0.001 . 1 . . 838 . . 136 HIS HA . 52309 1
757 . 1 . 1 136 136 HIS C C 13 174.693 0.002 . 1 . . 403 . . 136 HIS C . 52309 1
758 . 1 . 1 136 136 HIS CA C 13 55.627 0.03 . 1 . . 401 . . 136 HIS CA . 52309 1
759 . 1 . 1 136 136 HIS CB C 13 29.575 0.021 . 1 . . 402 . . 136 HIS CB . 52309 1
760 . 1 . 1 136 136 HIS N N 15 119.790 0.006 . 1 . . 230 . . 136 HIS N . 52309 1
761 . 1 . 1 137 137 LEU H H 1 8.311 0.002 . 1 . . 117 . . 137 LEU H . 52309 1
762 . 1 . 1 137 137 LEU HA H 1 4.370 0.002 . 1 . . 837 . . 137 LEU HA . 52309 1
763 . 1 . 1 137 137 LEU C C 13 177.262 0.006 . 1 . . 400 . . 137 LEU C . 52309 1
764 . 1 . 1 137 137 LEU CA C 13 55.171 0.053 . 1 . . 398 . . 137 LEU CA . 52309 1
765 . 1 . 1 137 137 LEU CB C 13 42.361 0.022 . 1 . . 399 . . 137 LEU CB . 52309 1
766 . 1 . 1 137 137 LEU N N 15 123.826 0.007 . 1 . . 118 . . 137 LEU N . 52309 1
767 . 1 . 1 138 138 SER H H 1 8.354 0.002 . 1 . . 11 . . 138 SER H . 52309 1
768 . 1 . 1 138 138 SER HA H 1 4.451 0.001 . 1 . . 836 . . 138 SER HA . 52309 1
769 . 1 . 1 138 138 SER C C 13 174.240 0.01 . 1 . . 397 . . 138 SER C . 52309 1
770 . 1 . 1 138 138 SER CA C 13 58.297 0.033 . 1 . . 395 . . 138 SER CA . 52309 1
771 . 1 . 1 138 138 SER CB C 13 63.888 0.024 . 1 . . 396 . . 138 SER CB . 52309 1
772 . 1 . 1 138 138 SER N N 15 116.348 0.018 . 1 . . 12 . . 138 SER N . 52309 1
773 . 1 . 1 139 139 ASN H H 1 8.510 0.002 . 1 . . 153 . . 139 ASN H . 52309 1
774 . 1 . 1 139 139 ASN HA H 1 4.754 0.001 . 1 . . 835 . . 139 ASN HA . 52309 1
775 . 1 . 1 139 139 ASN C C 13 175.186 0.002 . 1 . . 394 . . 139 ASN C . 52309 1
776 . 1 . 1 139 139 ASN CA C 13 53.338 0.041 . 1 . . 392 . . 139 ASN CA . 52309 1
777 . 1 . 1 139 139 ASN CB C 13 38.799 0.034 . 1 . . 393 . . 139 ASN CB . 52309 1
778 . 1 . 1 139 139 ASN N N 15 120.886 0.007 . 1 . . 154 . . 139 ASN N . 52309 1
779 . 1 . 1 140 140 VAL H H 1 8.082 0.002 . 1 . . 387 . . 140 VAL H . 52309 1
780 . 1 . 1 140 140 VAL HA H 1 4.179 0.001 . 1 . . 834 . . 140 VAL HA . 52309 1
781 . 1 . 1 140 140 VAL C C 13 176.257 0.012 . 1 . . 391 . . 140 VAL C . 52309 1
782 . 1 . 1 140 140 VAL CA C 13 62.361 0.021 . 1 . . 389 . . 140 VAL CA . 52309 1
783 . 1 . 1 140 140 VAL CB C 13 32.752 0.049 . 1 . . 390 . . 140 VAL CB . 52309 1
784 . 1 . 1 140 140 VAL N N 15 119.732 0.013 . 1 . . 388 . . 140 VAL N . 52309 1
785 . 1 . 1 141 141 SER H H 1 8.452 0.002 . 1 . . 9 . . 141 SER H . 52309 1
786 . 1 . 1 141 141 SER HA H 1 4.519 . . 1 . . 820 . . 141 SER HA . 52309 1
787 . 1 . 1 141 141 SER C C 13 174.866 0.006 . 1 . . 386 . . 141 SER C . 52309 1
788 . 1 . 1 141 141 SER CA C 13 58.268 0.006 . 1 . . 384 . . 141 SER CA . 52309 1
789 . 1 . 1 141 141 SER CB C 13 63.940 0.013 . 1 . . 385 . . 141 SER CB . 52309 1
790 . 1 . 1 141 141 SER N N 15 119.440 0.009 . 1 . . 10 . . 141 SER N . 52309 1
791 . 1 . 1 142 142 SER H H 1 8.502 0.002 . 1 . . 115 . . 142 SER H . 52309 1
792 . 1 . 1 142 142 SER HA H 1 4.539 . . 1 . . 819 . . 142 SER HA . 52309 1
793 . 1 . 1 142 142 SER C C 13 175.033 0.002 . 1 . . 383 . . 142 SER C . 52309 1
794 . 1 . 1 142 142 SER CA C 13 58.527 0.006 . 1 . . 381 . . 142 SER CA . 52309 1
795 . 1 . 1 142 142 SER CB C 13 63.717 0.036 . 1 . . 382 . . 142 SER CB . 52309 1
796 . 1 . 1 142 142 SER N N 15 118.325 0.007 . 1 . . 116 . . 142 SER N . 52309 1
797 . 1 . 1 143 143 THR H H 1 8.234 0.002 . 1 . . 211 . . 143 THR H . 52309 1
798 . 1 . 1 143 143 THR HA H 1 4.381 . . 1 . . 818 . . 143 THR HA . 52309 1
799 . 1 . 1 143 143 THR C C 13 175.259 0.003 . 1 . . 380 . . 143 THR C . 52309 1
800 . 1 . 1 143 143 THR CA C 13 62.125 0.006 . 1 . . 378 . . 143 THR CA . 52309 1
801 . 1 . 1 143 143 THR CB C 13 69.693 0.033 . 1 . . 379 . . 143 THR CB . 52309 1
802 . 1 . 1 143 143 THR N N 15 114.987 0.01 . 1 . . 212 . . 143 THR N . 52309 1
803 . 1 . 1 144 144 GLY H H 1 8.370 0.003 . 1 . . 33 . . 144 GLY H . 52309 1
804 . 1 . 1 144 144 GLY HA2 H 1 4.014 . . 1 . . 817 . . 144 GLY HA2 . 52309 1
805 . 1 . 1 144 144 GLY C C 13 174.041 0.007 . 1 . . 356 . . 144 GLY C . 52309 1
806 . 1 . 1 144 144 GLY CA C 13 45.325 0.035 . 1 . . 355 . . 144 GLY CA . 52309 1
807 . 1 . 1 144 144 GLY N N 15 111.200 0.01 . 1 . . 34 . . 144 GLY N . 52309 1
808 . 1 . 1 145 145 SER H H 1 8.193 0.002 . 1 . . 149 . . 145 SER H . 52309 1
809 . 1 . 1 145 145 SER HA H 1 4.503 0.003 . 1 . . 816 . . 145 SER HA . 52309 1
810 . 1 . 1 145 145 SER C C 13 174.720 0.013 . 1 . . 359 . . 145 SER C . 52309 1
811 . 1 . 1 145 145 SER CA C 13 58.224 0.017 . 1 . . 357 . . 145 SER CA . 52309 1
812 . 1 . 1 145 145 SER CB C 13 63.979 0.027 . 1 . . 358 . . 145 SER CB . 52309 1
813 . 1 . 1 145 145 SER N N 15 115.793 0.011 . 1 . . 150 . . 145 SER N . 52309 1
814 . 1 . 1 146 146 ILE H H 1 8.250 0.001 . 1 . . 15 . . 146 ILE H . 52309 1
815 . 1 . 1 146 146 ILE HA H 1 4.220 . . 1 . . 815 . . 146 ILE HA . 52309 1
816 . 1 . 1 146 146 ILE C C 13 175.825 0.01 . 1 . . 362 . . 146 ILE C . 52309 1
817 . 1 . 1 146 146 ILE CA C 13 61.280 0.008 . 1 . . 360 . . 146 ILE CA . 52309 1
818 . 1 . 1 146 146 ILE CB C 13 38.936 0.012 . 1 . . 361 . . 146 ILE CB . 52309 1
819 . 1 . 1 146 146 ILE N N 15 122.148 0.009 . 1 . . 16 . . 146 ILE N . 52309 1
820 . 1 . 1 147 147 ASP H H 1 8.369 0.001 . 1 . . 83 . . 147 ASP H . 52309 1
821 . 1 . 1 147 147 ASP HA H 1 4.594 . . 1 . . 814 . . 147 ASP HA . 52309 1
822 . 1 . 1 147 147 ASP C C 13 175.991 0.003 . 1 . . 365 . . 147 ASP C . 52309 1
823 . 1 . 1 147 147 ASP CA C 13 54.457 0.001 . 1 . . 364 . . 147 ASP CA . 52309 1
824 . 1 . 1 147 147 ASP CB C 13 41.167 0.036 . 1 . . 363 . . 147 ASP CB . 52309 1
825 . 1 . 1 147 147 ASP N N 15 123.811 0.009 . 1 . . 84 . . 147 ASP N . 52309 1
826 . 1 . 1 148 148 MET H H 1 8.268 0.001 . 1 . . 113 . . 148 MET H . 52309 1
827 . 1 . 1 148 148 MET HA H 1 4.495 . . 1 . . 813 . . 148 MET HA . 52309 1
828 . 1 . 1 148 148 MET C C 13 176.181 0.002 . 1 . . 368 . . 148 MET C . 52309 1
829 . 1 . 1 148 148 MET CA C 13 55.437 0.004 . 1 . . 366 . . 148 MET CA . 52309 1
830 . 1 . 1 148 148 MET CB C 13 32.878 0.011 . 1 . . 367 . . 148 MET CB . 52309 1
831 . 1 . 1 148 148 MET N N 15 121.000 0.006 . 1 . . 114 . . 148 MET N . 52309 1
832 . 1 . 1 149 149 VAL H H 1 8.143 0.001 . 1 . . 65 . . 149 VAL H . 52309 1
833 . 1 . 1 149 149 VAL HA H 1 4.092 . . 1 . . 812 . . 149 VAL HA . 52309 1
834 . 1 . 1 149 149 VAL C C 13 175.825 0.003 . 1 . . 371 . . 149 VAL C . 52309 1
835 . 1 . 1 149 149 VAL CA C 13 62.509 0.008 . 1 . . 370 . . 149 VAL CA . 52309 1
836 . 1 . 1 149 149 VAL CB C 13 32.735 0.023 . 1 . . 369 . . 149 VAL CB . 52309 1
837 . 1 . 1 149 149 VAL N N 15 121.230 0.008 . 1 . . 66 . . 149 VAL N . 52309 1
838 . 1 . 1 150 150 ASP H H 1 8.417 0.002 . 1 . . 35 . . 150 ASP H . 52309 1
839 . 1 . 1 150 150 ASP HA H 1 4.632 . . 1 . . 811 . . 150 ASP HA . 52309 1
840 . 1 . 1 150 150 ASP C C 13 175.804 0.001 . 1 . . 374 . . 150 ASP C . 52309 1
841 . 1 . 1 150 150 ASP CA C 13 54.283 0.026 . 1 . . 373 . . 150 ASP CA . 52309 1
842 . 1 . 1 150 150 ASP CB C 13 41.228 0.011 . 1 . . 372 . . 150 ASP CB . 52309 1
843 . 1 . 1 150 150 ASP N N 15 123.616 0.003 . 1 . . 36 . . 150 ASP N . 52309 1
844 . 1 . 1 151 151 SER H H 1 8.172 0.003 . 1 . . 277 . . 151 SER H . 52309 1
845 . 1 . 1 151 151 SER HA H 1 4.737 0.002 . 1 . . 810 . . 151 SER HA . 52309 1
846 . 1 . 1 151 151 SER C C 13 172.838 0.009 . 1 . . 377 . . 151 SER C . 52309 1
847 . 1 . 1 151 151 SER CA C 13 56.426 0.017 . 1 . . 375 . . 151 SER CA . 52309 1
848 . 1 . 1 151 151 SER CB C 13 63.442 0.019 . 1 . . 376 . . 151 SER CB . 52309 1
849 . 1 . 1 151 151 SER N N 15 116.945 0.011 . 1 . . 278 . . 151 SER N . 52309 1
850 . 1 . 1 152 152 PRO HA H 1 4.422 . . 1 . . 931 . . 152 PRO HA . 52309 1
851 . 1 . 1 152 152 PRO C C 13 177.066 . . 1 . . 354 . . 152 PRO C . 52309 1
852 . 1 . 1 152 152 PRO CA C 13 63.537 0.023 . 1 . . 351 . . 152 PRO CA . 52309 1
853 . 1 . 1 152 152 PRO CB C 13 32.056 . . 1 . . 352 . . 152 PRO CB . 52309 1
854 . 1 . 1 152 152 PRO N N 15 138.303 0.005 . 1 . . 833 . . 152 PRO N . 52309 1
855 . 1 . 1 153 153 GLN H H 1 8.490 0.002 . 1 . . 131 . . 153 GLN H . 52309 1
856 . 1 . 1 153 153 GLN HA H 1 4.296 . . 1 . . 809 . . 153 GLN HA . 52309 1
857 . 1 . 1 153 153 GLN C C 13 176.126 0.005 . 1 . . 353 . . 153 GLN C . 52309 1
858 . 1 . 1 153 153 GLN CA C 13 55.928 0.011 . 1 . . 349 . . 153 GLN CA . 52309 1
859 . 1 . 1 153 153 GLN CB C 13 29.235 0.011 . 1 . . 350 . . 153 GLN CB . 52309 1
860 . 1 . 1 153 153 GLN N N 15 120.402 0.008 . 1 . . 132 . . 153 GLN N . 52309 1
861 . 1 . 1 154 154 LEU H H 1 8.229 0.001 . 1 . . 5 . . 154 LEU H . 52309 1
862 . 1 . 1 154 154 LEU HA H 1 4.329 . . 1 . . 808 . . 154 LEU HA . 52309 1
863 . 1 . 1 154 154 LEU C C 13 177.292 0.012 . 1 . . 348 . . 154 LEU C . 52309 1
864 . 1 . 1 154 154 LEU CA C 13 55.205 0.014 . 1 . . 346 . . 154 LEU CA . 52309 1
865 . 1 . 1 154 154 LEU CB C 13 42.412 0.0 . 1 . . 347 . . 154 LEU CB . 52309 1
866 . 1 . 1 154 154 LEU N N 15 123.650 0.008 . 1 . . 6 . . 154 LEU N . 52309 1
867 . 1 . 1 155 155 ALA H H 1 8.315 0.001 . 1 . . 191 . . 155 ALA H . 52309 1
868 . 1 . 1 155 155 ALA HA H 1 4.363 . . 1 . . 807 . . 155 ALA HA . 52309 1
869 . 1 . 1 155 155 ALA C C 13 177.931 0.004 . 1 . . 345 . . 155 ALA C . 52309 1
870 . 1 . 1 155 155 ALA CA C 13 52.742 0.018 . 1 . . 343 . . 155 ALA CA . 52309 1
871 . 1 . 1 155 155 ALA CB C 13 19.219 0.037 . 1 . . 344 . . 155 ALA CB . 52309 1
872 . 1 . 1 155 155 ALA N N 15 124.810 0.013 . 1 . . 192 . . 155 ALA N . 52309 1
873 . 1 . 1 156 156 THR H H 1 8.111 0.001 . 1 . . 121 . . 156 THR H . 52309 1
874 . 1 . 1 156 156 THR HA H 1 4.316 0.001 . 1 . . 806 . . 156 THR HA . 52309 1
875 . 1 . 1 156 156 THR C C 13 174.723 0.018 . 1 . . 342 . . 156 THR C . 52309 1
876 . 1 . 1 156 156 THR CA C 13 61.901 0.02 . 1 . . 340 . . 156 THR CA . 52309 1
877 . 1 . 1 156 156 THR CB C 13 69.981 0.003 . 1 . . 341 . . 156 THR CB . 52309 1
878 . 1 . 1 156 156 THR N N 15 113.420 0.009 . 1 . . 122 . . 156 THR N . 52309 1
879 . 1 . 1 157 157 LEU H H 1 8.259 0.002 . 1 . . 247 . . 157 LEU H . 52309 1
880 . 1 . 1 157 157 LEU HA H 1 4.342 . . 1 . . 805 . . 157 LEU HA . 52309 1
881 . 1 . 1 157 157 LEU C C 13 177.347 0.003 . 1 . . 339 . . 157 LEU C . 52309 1
882 . 1 . 1 157 157 LEU CA C 13 55.454 0.011 . 1 . . 337 . . 157 LEU CA . 52309 1
883 . 1 . 1 157 157 LEU CB C 13 42.301 0.014 . 1 . . 338 . . 157 LEU CB . 52309 1
884 . 1 . 1 157 157 LEU N N 15 124.661 0.007 . 1 . . 248 . . 157 LEU N . 52309 1
885 . 1 . 1 158 158 ALA H H 1 8.282 0.001 . 1 . . 257 . . 158 ALA H . 52309 1
886 . 1 . 1 158 158 ALA HA H 1 4.258 . . 1 . . 804 . . 158 ALA HA . 52309 1
887 . 1 . 1 158 158 ALA C C 13 177.897 0.004 . 1 . . 336 . . 158 ALA C . 52309 1
888 . 1 . 1 158 158 ALA CA C 13 52.970 0.011 . 1 . . 334 . . 158 ALA CA . 52309 1
889 . 1 . 1 158 158 ALA CB C 13 19.142 0.057 . 1 . . 335 . . 158 ALA CB . 52309 1
890 . 1 . 1 158 158 ALA N N 15 124.419 0.007 . 1 . . 258 . . 158 ALA N . 52309 1
891 . 1 . 1 159 159 ASP H H 1 8.236 0.002 . 1 . . 23 . . 159 ASP H . 52309 1
892 . 1 . 1 159 159 ASP HA H 1 4.551 . . 1 . . 803 . . 159 ASP HA . 52309 1
893 . 1 . 1 159 159 ASP C C 13 176.702 0.022 . 1 . . 333 . . 159 ASP C . 52309 1
894 . 1 . 1 159 159 ASP CA C 13 54.806 0.014 . 1 . . 332 . . 159 ASP CA . 52309 1
895 . 1 . 1 159 159 ASP CB C 13 41.059 0.027 . 1 . . 331 . . 159 ASP CB . 52309 1
896 . 1 . 1 159 159 ASP N N 15 119.398 0.005 . 1 . . 24 . . 159 ASP N . 52309 1
897 . 1 . 1 160 160 GLU H H 1 8.343 0.001 . 1 . . 93 . . 160 GLU H . 52309 1
898 . 1 . 1 160 160 GLU HA H 1 4.244 . . 1 . . 802 . . 160 GLU HA . 52309 1
899 . 1 . 1 160 160 GLU C C 13 177.405 0.015 . 1 . . 330 . . 160 GLU C . 52309 1
900 . 1 . 1 160 160 GLU CA C 13 57.374 0.019 . 1 . . 329 . . 160 GLU CA . 52309 1
901 . 1 . 1 160 160 GLU CB C 13 30.108 0.007 . 1 . . 328 . . 160 GLU CB . 52309 1
902 . 1 . 1 160 160 GLU N N 15 121.162 0.004 . 1 . . 94 . . 160 GLU N . 52309 1
903 . 1 . 1 161 161 VAL H H 1 8.181 0.001 . 1 . . 77 . . 161 VAL H . 52309 1
904 . 1 . 1 161 161 VAL HA H 1 4.013 . . 1 . . 801 . . 161 VAL HA . 52309 1
905 . 1 . 1 161 161 VAL C C 13 177.223 0.006 . 1 . . 327 . . 161 VAL C . 52309 1
906 . 1 . 1 161 161 VAL CA C 13 63.593 0.009 . 1 . . 325 . . 161 VAL CA . 52309 1
907 . 1 . 1 161 161 VAL CB C 13 32.350 0.009 . 1 . . 326 . . 161 VAL CB . 52309 1
908 . 1 . 1 161 161 VAL N N 15 121.213 0.003 . 1 . . 78 . . 161 VAL N . 52309 1
909 . 1 . 1 162 162 SER H H 1 8.353 0.002 . 1 . . 105 . . 162 SER H . 52309 1
910 . 1 . 1 162 162 SER HA H 1 4.335 . . 1 . . 800 . . 162 SER HA . 52309 1
911 . 1 . 1 162 162 SER C C 13 175.418 0.009 . 1 . . 324 . . 162 SER C . 52309 1
912 . 1 . 1 162 162 SER CA C 13 59.396 0.022 . 1 . . 322 . . 162 SER CA . 52309 1
913 . 1 . 1 162 162 SER CB C 13 63.313 0.016 . 1 . . 323 . . 162 SER CB . 52309 1
914 . 1 . 1 162 162 SER N N 15 118.447 0.01 . 1 . . 106 . . 162 SER N . 52309 1
915 . 1 . 1 163 163 ALA H H 1 8.326 0.002 . 1 . . 243 . . 163 ALA H . 52309 1
916 . 1 . 1 163 163 ALA HA H 1 4.294 . . 1 . . 799 . . 163 ALA HA . 52309 1
917 . 1 . 1 163 163 ALA C C 13 178.583 0.01 . 1 . . 321 . . 163 ALA C . 52309 1
918 . 1 . 1 163 163 ALA CA C 13 53.529 0.011 . 1 . . 319 . . 163 ALA CA . 52309 1
919 . 1 . 1 163 163 ALA CB C 13 18.911 0.017 . 1 . . 320 . . 163 ALA CB . 52309 1
920 . 1 . 1 163 163 ALA N N 15 125.783 0.003 . 1 . . 244 . . 163 ALA N . 52309 1
921 . 1 . 1 164 164 SER H H 1 8.138 0.002 . 1 . . 47 . . 164 SER H . 52309 1
922 . 1 . 1 164 164 SER HA H 1 4.360 . . 1 . . 798 . . 164 SER HA . 52309 1
923 . 1 . 1 164 164 SER C C 13 175.366 0.003 . 1 . . 318 . . 164 SER C . 52309 1
924 . 1 . 1 164 164 SER CA C 13 59.219 . . 1 . . 316 . . 164 SER CA . 52309 1
925 . 1 . 1 164 164 SER CB C 13 63.534 0.01 . 1 . . 317 . . 164 SER CB . 52309 1
926 . 1 . 1 164 164 SER N N 15 114.298 0.01 . 1 . . 48 . . 164 SER N . 52309 1
927 . 1 . 1 165 165 LEU H H 1 8.061 0.002 . 1 . . 3 . . 165 LEU H . 52309 1
928 . 1 . 1 165 165 LEU HA H 1 4.274 . . 1 . . 797 . . 165 LEU HA . 52309 1
929 . 1 . 1 165 165 LEU C C 13 177.797 0.0 . 1 . . 313 . . 165 LEU C . 52309 1
930 . 1 . 1 165 165 LEU CA C 13 55.788 0.002 . 1 . . 314 . . 165 LEU CA . 52309 1
931 . 1 . 1 165 165 LEU CB C 13 42.134 0.003 . 1 . . 315 . . 165 LEU CB . 52309 1
932 . 1 . 1 165 165 LEU N N 15 123.675 0.004 . 1 . . 4 . . 165 LEU N . 52309 1
933 . 1 . 1 166 166 ALA H H 1 8.068 0.003 . 1 . . 75 . . 166 ALA H . 52309 1
934 . 1 . 1 166 166 ALA HA H 1 4.269 . . 1 . . 796 . . 166 ALA HA . 52309 1
935 . 1 . 1 166 166 ALA C C 13 178.248 0.005 . 1 . . 310 . . 166 ALA C . 52309 1
936 . 1 . 1 166 166 ALA CA C 13 53.003 0.011 . 1 . . 312 . . 166 ALA CA . 52309 1
937 . 1 . 1 166 166 ALA CB C 13 18.887 0.001 . 1 . . 311 . . 166 ALA CB . 52309 1
938 . 1 . 1 166 166 ALA N N 15 123.576 0.005 . 1 . . 76 . . 166 ALA N . 52309 1
939 . 1 . 1 167 167 LYS H H 1 8.093 0.002 . 1 . . 161 . . 167 LYS H . 52309 1
940 . 1 . 1 167 167 LYS HA H 1 4.276 . . 1 . . 795 . . 167 LYS HA . 52309 1
941 . 1 . 1 167 167 LYS C C 13 176.744 0.003 . 1 . . 307 . . 167 LYS C . 52309 1
942 . 1 . 1 167 167 LYS CA C 13 56.519 0.013 . 1 . . 308 . . 167 LYS CA . 52309 1
943 . 1 . 1 167 167 LYS CB C 13 32.873 0.027 . 1 . . 309 . . 167 LYS CB . 52309 1
944 . 1 . 1 167 167 LYS N N 15 119.823 0.006 . 1 . . 162 . . 167 LYS N . 52309 1
945 . 1 . 1 168 168 GLN H H 1 8.261 0.002 . 1 . . 175 . . 168 GLN H . 52309 1
946 . 1 . 1 168 168 GLN HA H 1 4.333 . . 1 . . 794 . . 168 GLN HA . 52309 1
947 . 1 . 1 168 168 GLN C C 13 176.357 0.002 . 1 . . 301 . . 168 GLN C . 52309 1
948 . 1 . 1 168 168 GLN CA C 13 56.090 0.015 . 1 . . 305 . . 168 GLN CA . 52309 1
949 . 1 . 1 168 168 GLN CB C 13 29.581 0.007 . 1 . . 306 . . 168 GLN CB . 52309 1
950 . 1 . 1 168 168 GLN N N 15 120.897 0.006 . 1 . . 176 . . 168 GLN N . 52309 1
951 . 1 . 1 169 169 GLY H H 1 8.388 0.002 . 1 . . 13 . . 169 GLY H . 52309 1
952 . 1 . 1 169 169 GLY HA2 H 1 3.942 . . 1 . . 793 . . 169 GLY HA2 . 52309 1
953 . 1 . 1 169 169 GLY C C 13 173.212 . . 1 . . 300 . . 169 GLY C . 52309 1
954 . 1 . 1 169 169 GLY CA C 13 45.399 0.016 . 1 . . 304 . . 169 GLY CA . 52309 1
955 . 1 . 1 169 169 GLY N N 15 110.469 0.014 . 1 . . 14 . . 169 GLY N . 52309 1
956 . 1 . 1 170 170 LEU H H 1 7.780 0.002 . 1 . . 181 . . 170 LEU H . 52309 1
957 . 1 . 1 170 170 LEU HA H 1 4.197 . . 1 . . 792 . . 170 LEU HA . 52309 1
958 . 1 . 1 170 170 LEU C C 13 174.615 . . 1 . . 299 . . 170 LEU C . 52309 1
959 . 1 . 1 170 170 LEU CA C 13 56.544 . . 1 . . 302 . . 170 LEU CA . 52309 1
960 . 1 . 1 170 170 LEU CB C 13 43.267 . . 1 . . 303 . . 170 LEU CB . 52309 1
961 . 1 . 1 170 170 LEU N N 15 127.165 0.015 . 1 . . 182 . . 170 LEU N . 52309 1
stop_
save_