data_17867
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 17867
_Entry.Title
;
Structural Insight into the Unique Cardiac Myosin Binding Protein-C Motif: A Partially Folded Domain
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2011-08-18
_Entry.Accession_date 2011-08-18
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Jack Howarth . W. . 17867
2 Paul Rosevear . R. . 17867
3 Srini Ramisetti . . . 17867
4 Kristof Nolan . . . 17867
5 Sakthivel Sadayappan . . . 17867
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'not applicable' 'not applicable' . 17867
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
CARDIAC . 17867
PROTEIN . 17867
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 17867
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 298 17867
'15N chemical shifts' 100 17867
'1H chemical shifts' 210 17867
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
2 . . 2012-04-06 2011-08-18 update BMRB 'update entry citation' 17867
1 . . 2012-01-18 2011-08-18 original author 'original release' 17867
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2LHU 'BMRB Entry Tracking System' 17867
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 17867
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 22235120
_Citation.Full_citation .
_Citation.Title 'Structural Insight into Unique Cardiac Myosin-binding Protein-C Motif: A PARTIALLY FOLDED DOMAIN.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biol. Chem.'
_Citation.Journal_name_full 'The Journal of biological chemistry'
_Citation.Journal_volume 287
_Citation.Journal_issue 11
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 8254
_Citation.Page_last 8262
_Citation.Year 2012
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Jack Howarth . W. . 17867 1
2 Srinivas Ramisetti . . . 17867 1
3 Kristof Nolan . . . 17867 1
4 Sakthivel Sadayappan . . . 17867 1
5 Paul Rosevear . R. . 17867 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 17867
_Assembly.ID 1
_Assembly.Name 'Myosin Binding Protein-C Motif'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'Myosin Binding Protein-C Motif' 1 $Myosin_binding_C A . yes native no no . . . 17867 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Myosin_binding_C
_Entity.Sf_category entity
_Entity.Sf_framecode Myosin_binding_C
_Entity.Entry_ID 17867
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'Myosin Binding Protein-C Motif'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MGSSHHHHHHSSGLVPRGSH
MHEAIGSGDLDLRSAFRRTS
LAGAGRRTSDSHEDAGTLDF
SSLLKKRDSFRRDSKLEAPA
EEDVWEILRQAPPSEYERIA
FQHGVTDLRGMLKRLKGMKQ
DEKK
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details 'Residues 1-20 represent a histidine tag.'
_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 124
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 4189.856
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2LHU . "Structural Insight Into The Unique Cardiac Myosin Binding Protein-C Motif: A Partially Folded Domain" . . . . . 100.00 124 100.00 100.00 5.71e-82 . . . . 17867 1
2 no DBJ BAE27506 . "unnamed protein product [Mus musculus]" . . . . . 83.87 1278 99.04 100.00 2.80e-60 . . . . 17867 1
3 no DBJ BAE41061 . "unnamed protein product [Mus musculus]" . . . . . 83.87 1113 97.12 98.08 7.30e-57 . . . . 17867 1
4 no GB AAC64202 . "myosin binding protein-C [Mus musculus]" . . . . . 83.87 1270 99.04 100.00 3.12e-60 . . . . 17867 1
5 no GB AAI54409 . "Mybpc3 protein [Mus musculus]" . . . . . 83.87 1270 99.04 100.00 3.09e-60 . . . . 17867 1
6 no GB EDL27527 . "myosin binding protein C, cardiac, isoform CRA_a [Mus musculus]" . . . . . 83.87 1268 97.12 98.08 5.27e-57 . . . . 17867 1
7 no PRF 2020397A . "C protein" . . . . . 83.87 1270 99.04 100.00 3.00e-60 . . . . 17867 1
8 no REF NP_032679 . "myosin-binding protein C, cardiac-type [Mus musculus]" . . . . . 83.87 1278 99.04 100.00 2.80e-60 . . . . 17867 1
9 no REF XP_006234565 . "PREDICTED: myosin-binding protein C, cardiac-type isoform X1 [Rattus norvegicus]" . . . . . 83.87 1276 97.12 98.08 1.01e-58 . . . . 17867 1
10 no REF XP_006234566 . "PREDICTED: myosin-binding protein C, cardiac-type isoform X1 [Rattus norvegicus]" . . . . . 83.87 1276 97.12 98.08 1.01e-58 . . . . 17867 1
11 no REF XP_006498945 . "PREDICTED: myosin-binding protein C, cardiac-type isoform X2 [Mus musculus]" . . . . . 83.87 1277 97.12 98.08 4.37e-57 . . . . 17867 1
12 no REF XP_011237643 . "PREDICTED: myosin-binding protein C, cardiac-type isoform X1 [Mus musculus]" . . . . . 83.87 1278 99.04 100.00 2.80e-60 . . . . 17867 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 17867 1
2 . GLY . 17867 1
3 . SER . 17867 1
4 . SER . 17867 1
5 . HIS . 17867 1
6 . HIS . 17867 1
7 . HIS . 17867 1
8 . HIS . 17867 1
9 . HIS . 17867 1
10 . HIS . 17867 1
11 . SER . 17867 1
12 . SER . 17867 1
13 . GLY . 17867 1
14 . LEU . 17867 1
15 . VAL . 17867 1
16 . PRO . 17867 1
17 . ARG . 17867 1
18 . GLY . 17867 1
19 . SER . 17867 1
20 . HIS . 17867 1
21 . MET . 17867 1
22 255 HIS . 17867 1
23 256 GLU . 17867 1
24 257 ALA . 17867 1
25 258 ILE . 17867 1
26 259 GLY . 17867 1
27 260 SER . 17867 1
28 261 GLY . 17867 1
29 262 ASP . 17867 1
30 263 LEU . 17867 1
31 264 ASP . 17867 1
32 265 LEU . 17867 1
33 266 ARG . 17867 1
34 267 SER . 17867 1
35 268 ALA . 17867 1
36 269 PHE . 17867 1
37 270 ARG . 17867 1
38 271 ARG . 17867 1
39 272 THR . 17867 1
40 273 SER . 17867 1
41 274 LEU . 17867 1
42 275 ALA . 17867 1
43 276 GLY . 17867 1
44 277 ALA . 17867 1
45 278 GLY . 17867 1
46 279 ARG . 17867 1
47 280 ARG . 17867 1
48 281 THR . 17867 1
49 282 SER . 17867 1
50 283 ASP . 17867 1
51 284 SER . 17867 1
52 285 HIS . 17867 1
53 286 GLU . 17867 1
54 287 ASP . 17867 1
55 288 ALA . 17867 1
56 289 GLY . 17867 1
57 290 THR . 17867 1
58 291 LEU . 17867 1
59 292 ASP . 17867 1
60 293 PHE . 17867 1
61 294 SER . 17867 1
62 295 SER . 17867 1
63 296 LEU . 17867 1
64 297 LEU . 17867 1
65 298 LYS . 17867 1
66 299 LYS . 17867 1
67 300 ARG . 17867 1
68 301 ASP . 17867 1
69 302 SER . 17867 1
70 303 PHE . 17867 1
71 304 ARG . 17867 1
72 305 ARG . 17867 1
73 306 ASP . 17867 1
74 307 SER . 17867 1
75 308 LYS . 17867 1
76 309 LEU . 17867 1
77 310 GLU . 17867 1
78 311 ALA . 17867 1
79 312 PRO . 17867 1
80 313 ALA . 17867 1
81 314 GLU . 17867 1
82 315 GLU . 17867 1
83 316 ASP . 17867 1
84 317 VAL . 17867 1
85 318 TRP . 17867 1
86 319 GLU . 17867 1
87 320 ILE . 17867 1
88 321 LEU . 17867 1
89 322 ARG . 17867 1
90 323 GLN . 17867 1
91 324 ALA . 17867 1
92 325 PRO . 17867 1
93 326 PRO . 17867 1
94 327 SER . 17867 1
95 328 GLU . 17867 1
96 329 TYR . 17867 1
97 330 GLU . 17867 1
98 331 ARG . 17867 1
99 332 ILE . 17867 1
100 333 ALA . 17867 1
101 334 PHE . 17867 1
102 335 GLN . 17867 1
103 336 HIS . 17867 1
104 337 GLY . 17867 1
105 338 VAL . 17867 1
106 339 THR . 17867 1
107 340 ASP . 17867 1
108 341 LEU . 17867 1
109 342 ARG . 17867 1
110 343 GLY . 17867 1
111 344 MET . 17867 1
112 345 LEU . 17867 1
113 346 LYS . 17867 1
114 347 ARG . 17867 1
115 348 LEU . 17867 1
116 349 LYS . 17867 1
117 350 GLY . 17867 1
118 351 MET . 17867 1
119 352 LYS . 17867 1
120 353 GLN . 17867 1
121 354 ASP . 17867 1
122 355 GLU . 17867 1
123 356 LYS . 17867 1
124 357 LYS . 17867 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 17867 1
. GLY 2 2 17867 1
. SER 3 3 17867 1
. SER 4 4 17867 1
. HIS 5 5 17867 1
. HIS 6 6 17867 1
. HIS 7 7 17867 1
. HIS 8 8 17867 1
. HIS 9 9 17867 1
. HIS 10 10 17867 1
. SER 11 11 17867 1
. SER 12 12 17867 1
. GLY 13 13 17867 1
. LEU 14 14 17867 1
. VAL 15 15 17867 1
. PRO 16 16 17867 1
. ARG 17 17 17867 1
. GLY 18 18 17867 1
. SER 19 19 17867 1
. HIS 20 20 17867 1
. MET 21 21 17867 1
. HIS 22 22 17867 1
. GLU 23 23 17867 1
. ALA 24 24 17867 1
. ILE 25 25 17867 1
. GLY 26 26 17867 1
. SER 27 27 17867 1
. GLY 28 28 17867 1
. ASP 29 29 17867 1
. LEU 30 30 17867 1
. ASP 31 31 17867 1
. LEU 32 32 17867 1
. ARG 33 33 17867 1
. SER 34 34 17867 1
. ALA 35 35 17867 1
. PHE 36 36 17867 1
. ARG 37 37 17867 1
. ARG 38 38 17867 1
. THR 39 39 17867 1
. SER 40 40 17867 1
. LEU 41 41 17867 1
. ALA 42 42 17867 1
. GLY 43 43 17867 1
. ALA 44 44 17867 1
. GLY 45 45 17867 1
. ARG 46 46 17867 1
. ARG 47 47 17867 1
. THR 48 48 17867 1
. SER 49 49 17867 1
. ASP 50 50 17867 1
. SER 51 51 17867 1
. HIS 52 52 17867 1
. GLU 53 53 17867 1
. ASP 54 54 17867 1
. ALA 55 55 17867 1
. GLY 56 56 17867 1
. THR 57 57 17867 1
. LEU 58 58 17867 1
. ASP 59 59 17867 1
. PHE 60 60 17867 1
. SER 61 61 17867 1
. SER 62 62 17867 1
. LEU 63 63 17867 1
. LEU 64 64 17867 1
. LYS 65 65 17867 1
. LYS 66 66 17867 1
. ARG 67 67 17867 1
. ASP 68 68 17867 1
. SER 69 69 17867 1
. PHE 70 70 17867 1
. ARG 71 71 17867 1
. ARG 72 72 17867 1
. ASP 73 73 17867 1
. SER 74 74 17867 1
. LYS 75 75 17867 1
. LEU 76 76 17867 1
. GLU 77 77 17867 1
. ALA 78 78 17867 1
. PRO 79 79 17867 1
. ALA 80 80 17867 1
. GLU 81 81 17867 1
. GLU 82 82 17867 1
. ASP 83 83 17867 1
. VAL 84 84 17867 1
. TRP 85 85 17867 1
. GLU 86 86 17867 1
. ILE 87 87 17867 1
. LEU 88 88 17867 1
. ARG 89 89 17867 1
. GLN 90 90 17867 1
. ALA 91 91 17867 1
. PRO 92 92 17867 1
. PRO 93 93 17867 1
. SER 94 94 17867 1
. GLU 95 95 17867 1
. TYR 96 96 17867 1
. GLU 97 97 17867 1
. ARG 98 98 17867 1
. ILE 99 99 17867 1
. ALA 100 100 17867 1
. PHE 101 101 17867 1
. GLN 102 102 17867 1
. HIS 103 103 17867 1
. GLY 104 104 17867 1
. VAL 105 105 17867 1
. THR 106 106 17867 1
. ASP 107 107 17867 1
. LEU 108 108 17867 1
. ARG 109 109 17867 1
. GLY 110 110 17867 1
. MET 111 111 17867 1
. LEU 112 112 17867 1
. LYS 113 113 17867 1
. ARG 114 114 17867 1
. LEU 115 115 17867 1
. LYS 116 116 17867 1
. GLY 117 117 17867 1
. MET 118 118 17867 1
. LYS 119 119 17867 1
. GLN 120 120 17867 1
. ASP 121 121 17867 1
. GLU 122 122 17867 1
. LYS 123 123 17867 1
. LYS 124 124 17867 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 17867
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $Myosin_binding_C . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17867 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 17867
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $Myosin_binding_C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 17867 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 17867
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'myosin binding protein-C (255-357)' '[U-13C; U-15N]' . . 1 $Myosin_binding_C . . 1.0 . . mM . . . . 17867 1
2 TRIS [U-2H] . . . . . . 20.0 . . mM . . . . 17867 1
3 'sodium chloride' 'natural abundance' . . . . . . 50.0 . . mM . . . . 17867 1
4 TCEP 'natural abundance' . . . . . . 2.0 . . mM . . . . 17867 1
5 EDTA 'natural abundance' . . . . . . 1.0 . . mM . . . . 17867 1
6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17867 1
7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17867 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 17867
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.05 . M 17867 1
pH 6.8 . pH 17867 1
pressure 1 . atm 17867 1
temperature 288 . K 17867 1
stop_
save_
############################
# Computer software used #
############################
save_VNMRJ
_Software.Sf_category software
_Software.Sf_framecode VNMRJ
_Software.Entry_ID 17867
_Software.ID 1
_Software.Name VNMRJ
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Varian . . 17867 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 17867 1
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 17867
_Software.ID 2
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 17867 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 17867 2
stop_
save_
save_CS-Rosetta
_Software.Sf_category software
_Software.Sf_framecode CS-Rosetta
_Software.Entry_ID 17867
_Software.ID 3
_Software.Name CS-Rosetta
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Yang Shen, Robert Vernon, David Baker and Ad Bax' . . 17867 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 17867 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 17867
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model VNMRS
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 17867
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 17867
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian VNMRS . 800 . . . 17867 1
2 spectrometer_2 Varian INOVA . 600 . . . 17867 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 17867
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1
2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1
3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1
4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1
5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1
6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1
7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17867 1
8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17867 1
9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17867 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 17867
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17867 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17867 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17867 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17867
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 17867 1
2 '3D HNCACB' . . . 17867 1
3 '3D CBCA(CO)NH' . . . 17867 1
4 '3D HNCO' . . . 17867 1
5 '3D HCACO' . . . 17867 1
6 '3D C(CO)NH' . . . 17867 1
7 '3D HBHA(CO)NH' . . . 17867 1
8 '3D 1H-15N NOESY' . . . 17867 1
9 '3D 1H-15N TOCSY' . . . 17867 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 22 22 HIS H H 1 8.330 0.007 . 1 . . . . 255 HIS H . 17867 1
2 . 1 1 22 22 HIS HA H 1 4.570 0.016 . 1 . . . . 255 HIS HA . 17867 1
3 . 1 1 22 22 HIS C C 13 175.200 0.073 . 1 . . . . 255 HIS C . 17867 1
4 . 1 1 22 22 HIS CA C 13 56.380 0.167 . 1 . . . . 255 HIS CA . 17867 1
5 . 1 1 22 22 HIS CB C 13 30.640 0.167 . 1 . . . . 255 HIS CB . 17867 1
6 . 1 1 22 22 HIS N N 15 120.208 0.039 . 1 . . . . 255 HIS N . 17867 1
7 . 1 1 23 23 GLU H H 1 8.303 0.007 . 1 . . . . 256 GLU H . 17867 1
8 . 1 1 23 23 GLU HA H 1 4.230 0.016 . 1 . . . . 256 GLU HA . 17867 1
9 . 1 1 23 23 GLU C C 13 175.900 0.073 . 1 . . . . 256 GLU C . 17867 1
10 . 1 1 23 23 GLU CA C 13 56.420 0.167 . 1 . . . . 256 GLU CA . 17867 1
11 . 1 1 23 23 GLU CB C 13 30.360 0.167 . 1 . . . . 256 GLU CB . 17867 1
12 . 1 1 23 23 GLU N N 15 121.928 0.039 . 1 . . . . 256 GLU N . 17867 1
13 . 1 1 24 24 ALA H H 1 8.400 0.007 . 1 . . . . 257 ALA H . 17867 1
14 . 1 1 24 24 ALA HA H 1 4.330 0.016 . 1 . . . . 257 ALA HA . 17867 1
15 . 1 1 24 24 ALA C C 13 177.600 0.073 . 1 . . . . 257 ALA C . 17867 1
16 . 1 1 24 24 ALA CA C 13 52.330 0.167 . 1 . . . . 257 ALA CA . 17867 1
17 . 1 1 24 24 ALA CB C 13 19.070 0.167 . 1 . . . . 257 ALA CB . 17867 1
18 . 1 1 24 24 ALA N N 15 125.223 0.039 . 1 . . . . 257 ALA N . 17867 1
19 . 1 1 25 25 ILE H H 1 8.196 0.007 . 1 . . . . 258 ILE H . 17867 1
20 . 1 1 25 25 ILE HA H 1 4.140 0.016 . 1 . . . . 258 ILE HA . 17867 1
21 . 1 1 25 25 ILE C C 13 176.900 0.073 . 1 . . . . 258 ILE C . 17867 1
22 . 1 1 25 25 ILE CA C 13 61.350 0.167 . 1 . . . . 258 ILE CA . 17867 1
23 . 1 1 25 25 ILE CB C 13 38.600 0.167 . 1 . . . . 258 ILE CB . 17867 1
24 . 1 1 25 25 ILE N N 15 120.444 0.039 . 1 . . . . 258 ILE N . 17867 1
25 . 1 1 26 26 GLY H H 1 8.582 0.007 . 1 . . . . 259 GLY H . 17867 1
26 . 1 1 26 26 GLY HA2 H 1 3.993 0.016 . . . . . . 259 GLY HA2 . 17867 1
27 . 1 1 26 26 GLY HA3 H 1 3.993 0.016 . . . . . . 259 GLY HA3 . 17867 1
28 . 1 1 26 26 GLY C C 13 174.200 0.073 . 1 . . . . 259 GLY C . 17867 1
29 . 1 1 26 26 GLY CA C 13 45.190 0.167 . 1 . . . . 259 GLY CA . 17867 1
30 . 1 1 26 26 GLY N N 15 113.111 0.039 . 1 . . . . 259 GLY N . 17867 1
31 . 1 1 27 27 SER H H 1 8.339 0.007 . 1 . . . . 260 SER H . 17867 1
32 . 1 1 27 27 SER HA H 1 4.430 0.016 . 1 . . . . 260 SER HA . 17867 1
33 . 1 1 27 27 SER C C 13 175.200 0.073 . 1 . . . . 260 SER C . 17867 1
34 . 1 1 27 27 SER CA C 13 58.600 0.167 . 1 . . . . 260 SER CA . 17867 1
35 . 1 1 27 27 SER CB C 13 63.790 0.167 . 1 . . . . 260 SER CB . 17867 1
36 . 1 1 27 27 SER N N 15 115.659 0.039 . 1 . . . . 260 SER N . 17867 1
37 . 1 1 28 28 GLY H H 1 8.584 0.007 . 1 . . . . 261 GLY H . 17867 1
38 . 1 1 28 28 GLY HA2 H 1 3.973 0.016 . . . . . . 261 GLY HA2 . 17867 1
39 . 1 1 28 28 GLY HA3 H 1 3.973 0.016 . . . . . . 261 GLY HA3 . 17867 1
40 . 1 1 28 28 GLY C C 13 174.000 0.073 . 1 . . . . 261 GLY C . 17867 1
41 . 1 1 28 28 GLY CA C 13 45.380 0.167 . 1 . . . . 261 GLY CA . 17867 1
42 . 1 1 28 28 GLY N N 15 110.945 0.039 . 1 . . . . 261 GLY N . 17867 1
43 . 1 1 29 29 ASP H H 1 8.226 0.007 . 1 . . . . 262 ASP H . 17867 1
44 . 1 1 29 29 ASP HA H 1 4.580 0.016 . 1 . . . . 262 ASP HA . 17867 1
45 . 1 1 29 29 ASP C C 13 176.500 0.073 . 1 . . . . 262 ASP C . 17867 1
46 . 1 1 29 29 ASP CA C 13 54.630 0.167 . 1 . . . . 262 ASP CA . 17867 1
47 . 1 1 29 29 ASP CB C 13 41.070 0.167 . 1 . . . . 262 ASP CB . 17867 1
48 . 1 1 29 29 ASP N N 15 120.407 0.039 . 1 . . . . 262 ASP N . 17867 1
49 . 1 1 30 30 LEU H H 1 8.205 0.007 . 1 . . . . 263 LEU H . 17867 1
50 . 1 1 30 30 LEU HA H 1 4.220 0.016 . 1 . . . . 263 LEU HA . 17867 1
51 . 1 1 30 30 LEU C C 13 177.200 0.073 . 1 . . . . 263 LEU C . 17867 1
52 . 1 1 30 30 LEU CA C 13 55.690 0.167 . 1 . . . . 263 LEU CA . 17867 1
53 . 1 1 30 30 LEU CB C 13 42.170 0.167 . 1 . . . . 263 LEU CB . 17867 1
54 . 1 1 30 30 LEU N N 15 121.880 0.039 . 1 . . . . 263 LEU N . 17867 1
55 . 1 1 31 31 ASP H H 1 8.327 0.007 . 1 . . . . 264 ASP H . 17867 1
56 . 1 1 31 31 ASP HA H 1 4.580 0.016 . 1 . . . . 264 ASP HA . 17867 1
57 . 1 1 31 31 ASP C C 13 176.800 0.073 . 1 . . . . 264 ASP C . 17867 1
58 . 1 1 31 31 ASP CA C 13 54.300 0.167 . 1 . . . . 264 ASP CA . 17867 1
59 . 1 1 31 31 ASP CB C 13 40.880 0.167 . 1 . . . . 264 ASP CB . 17867 1
60 . 1 1 31 31 ASP N N 15 120.806 0.039 . 1 . . . . 264 ASP N . 17867 1
61 . 1 1 32 32 LEU H H 1 8.263 0.007 . 1 . . . . 265 LEU H . 17867 1
62 . 1 1 32 32 LEU HA H 1 4.220 0.016 . 1 . . . . 265 LEU HA . 17867 1
63 . 1 1 32 32 LEU C C 13 178.200 0.073 . 1 . . . . 265 LEU C . 17867 1
64 . 1 1 32 32 LEU CA C 13 56.020 0.167 . 1 . . . . 265 LEU CA . 17867 1
65 . 1 1 32 32 LEU CB C 13 41.780 0.167 . 1 . . . . 265 LEU CB . 17867 1
66 . 1 1 32 32 LEU N N 15 123.224 0.039 . 1 . . . . 265 LEU N . 17867 1
67 . 1 1 33 33 ARG H H 1 8.279 0.007 . 1 . . . . 266 ARG H . 17867 1
68 . 1 1 33 33 ARG HA H 1 4.230 0.016 . 1 . . . . 266 ARG HA . 17867 1
69 . 1 1 33 33 ARG C C 13 177.300 0.073 . 1 . . . . 266 ARG C . 17867 1
70 . 1 1 33 33 ARG CA C 13 57.150 0.167 . 1 . . . . 266 ARG CA . 17867 1
71 . 1 1 33 33 ARG CB C 13 30.140 0.167 . 1 . . . . 266 ARG CB . 17867 1
72 . 1 1 33 33 ARG N N 15 119.270 0.039 . 1 . . . . 266 ARG N . 17867 1
73 . 1 1 34 34 SER H H 1 8.097 0.007 . 1 . . . . 267 SER H . 17867 1
74 . 1 1 34 34 SER HA H 1 4.320 0.016 . 1 . . . . 267 SER HA . 17867 1
75 . 1 1 34 34 SER C C 13 174.900 0.073 . 1 . . . . 267 SER C . 17867 1
76 . 1 1 34 34 SER CA C 13 59.050 0.167 . 1 . . . . 267 SER CA . 17867 1
77 . 1 1 34 34 SER CB C 13 63.410 0.167 . 1 . . . . 267 SER CB . 17867 1
78 . 1 1 34 34 SER N N 15 115.229 0.039 . 1 . . . . 267 SER N . 17867 1
79 . 1 1 35 35 ALA H H 1 8.214 0.007 . 1 . . . . 268 ALA H . 17867 1
80 . 1 1 35 35 ALA HA H 1 4.190 0.016 . 1 . . . . 268 ALA HA . 17867 1
81 . 1 1 35 35 ALA C C 13 177.900 0.073 . 1 . . . . 268 ALA C . 17867 1
82 . 1 1 35 35 ALA CA C 13 53.300 0.167 . 1 . . . . 268 ALA CA . 17867 1
83 . 1 1 35 35 ALA CB C 13 18.740 0.167 . 1 . . . . 268 ALA CB . 17867 1
84 . 1 1 35 35 ALA N N 15 125.076 0.039 . 1 . . . . 268 ALA N . 17867 1
85 . 1 1 36 36 PHE H H 1 8.055 0.007 . 1 . . . . 269 PHE H . 17867 1
86 . 1 1 36 36 PHE HA H 1 4.520 0.016 . 1 . . . . 269 PHE HA . 17867 1
87 . 1 1 36 36 PHE C C 13 175.900 0.073 . 1 . . . . 269 PHE C . 17867 1
88 . 1 1 36 36 PHE CA C 13 58.110 0.167 . 1 . . . . 269 PHE CA . 17867 1
89 . 1 1 36 36 PHE CB C 13 39.200 0.167 . 1 . . . . 269 PHE CB . 17867 1
90 . 1 1 36 36 PHE N N 15 118.000 0.039 . 1 . . . . 269 PHE N . 17867 1
91 . 1 1 37 37 ARG H H 1 8.009 0.007 . 1 . . . . 270 ARG H . 17867 1
92 . 1 1 37 37 ARG HA H 1 4.270 0.016 . 1 . . . . 270 ARG HA . 17867 1
93 . 1 1 37 37 ARG C C 13 176.100 0.073 . 1 . . . . 270 ARG C . 17867 1
94 . 1 1 37 37 ARG CA C 13 56.250 0.167 . 1 . . . . 270 ARG CA . 17867 1
95 . 1 1 37 37 ARG CB C 13 30.680 0.167 . 1 . . . . 270 ARG CB . 17867 1
96 . 1 1 37 37 ARG N N 15 121.802 0.039 . 1 . . . . 270 ARG N . 17867 1
97 . 1 1 38 38 ARG H H 1 8.324 0.007 . 1 . . . . 271 ARG H . 17867 1
98 . 1 1 38 38 ARG HA H 1 4.290 0.016 . 1 . . . . 271 ARG HA . 17867 1
99 . 1 1 38 38 ARG C C 13 176.700 0.073 . 1 . . . . 271 ARG C . 17867 1
100 . 1 1 38 38 ARG CA C 13 56.620 0.167 . 1 . . . . 271 ARG CA . 17867 1
101 . 1 1 38 38 ARG CB C 13 30.680 0.167 . 1 . . . . 271 ARG CB . 17867 1
102 . 1 1 38 38 ARG N N 15 121.751 0.039 . 1 . . . . 271 ARG N . 17867 1
103 . 1 1 39 39 THR H H 1 8.188 0.007 . 1 . . . . 272 THR H . 17867 1
104 . 1 1 39 39 THR HA H 1 4.330 0.016 . 1 . . . . 272 THR HA . 17867 1
105 . 1 1 39 39 THR C C 13 174.600 0.073 . 1 . . . . 272 THR C . 17867 1
106 . 1 1 39 39 THR CA C 13 62.140 0.167 . 1 . . . . 272 THR CA . 17867 1
107 . 1 1 39 39 THR CB C 13 69.710 0.167 . 1 . . . . 272 THR CB . 17867 1
108 . 1 1 39 39 THR N N 15 114.707 0.039 . 1 . . . . 272 THR N . 17867 1
109 . 1 1 40 40 SER H H 1 8.318 0.007 . 1 . . . . 273 SER H . 17867 1
110 . 1 1 40 40 SER HA H 1 4.430 0.016 . 1 . . . . 273 SER HA . 17867 1
111 . 1 1 40 40 SER C C 13 174.600 0.073 . 1 . . . . 273 SER C . 17867 1
112 . 1 1 40 40 SER CA C 13 58.400 0.167 . 1 . . . . 273 SER CA . 17867 1
113 . 1 1 40 40 SER CB C 13 63.700 0.167 . 1 . . . . 273 SER CB . 17867 1
114 . 1 1 40 40 SER N N 15 117.928 0.039 . 1 . . . . 273 SER N . 17867 1
115 . 1 1 41 41 LEU H H 1 8.305 0.007 . 1 . . . . 274 LEU H . 17867 1
116 . 1 1 41 41 LEU HA H 1 4.310 0.016 . 1 . . . . 274 LEU HA . 17867 1
117 . 1 1 41 41 LEU C C 13 177.300 0.073 . 1 . . . . 274 LEU C . 17867 1
118 . 1 1 41 41 LEU CA C 13 55.280 . . 1 . . . . 274 LEU CA . 17867 1
119 . 1 1 41 41 LEU CB C 13 42.100 . . 1 . . . . 274 LEU CB . 17867 1
120 . 1 1 41 41 LEU N N 15 124.040 0.039 . 1 . . . . 274 LEU N . 17867 1
121 . 1 1 42 42 ALA H H 1 8.257 0.007 . 1 . . . . 275 ALA H . 17867 1
122 . 1 1 42 42 ALA HA H 1 4.270 0.016 . 1 . . . . 275 ALA HA . 17867 1
123 . 1 1 42 42 ALA C C 13 178.300 0.073 . 1 . . . . 275 ALA C . 17867 1
124 . 1 1 42 42 ALA CA C 13 52.790 0.167 . 1 . . . . 275 ALA CA . 17867 1
125 . 1 1 42 42 ALA CB C 13 18.970 0.167 . 1 . . . . 275 ALA CB . 17867 1
126 . 1 1 42 42 ALA N N 15 124.156 0.039 . 1 . . . . 275 ALA N . 17867 1
127 . 1 1 43 43 GLY H H 1 8.345 0.007 . 1 . . . . 276 GLY H . 17867 1
128 . 1 1 43 43 GLY HA2 H 1 3.923 0.016 . . . . . . 276 GLY HA2 . 17867 1
129 . 1 1 43 43 GLY HA3 H 1 3.923 0.016 . . . . . . 276 GLY HA3 . 17867 1
130 . 1 1 43 43 GLY C C 13 174.100 0.073 . 1 . . . . 276 GLY C . 17867 1
131 . 1 1 43 43 GLY CA C 13 45.240 0.167 . 1 . . . . 276 GLY CA . 17867 1
132 . 1 1 43 43 GLY N N 15 108.114 0.039 . 1 . . . . 276 GLY N . 17867 1
133 . 1 1 44 44 ALA H H 1 8.181 0.007 . 1 . . . . 277 ALA H . 17867 1
134 . 1 1 44 44 ALA HA H 1 4.310 0.016 . 1 . . . . 277 ALA HA . 17867 1
135 . 1 1 44 44 ALA C C 13 178.300 0.073 . 1 . . . . 277 ALA C . 17867 1
136 . 1 1 44 44 ALA CA C 13 52.700 0.167 . 1 . . . . 277 ALA CA . 17867 1
137 . 1 1 44 44 ALA CB C 13 19.150 0.167 . 1 . . . . 277 ALA CB . 17867 1
138 . 1 1 44 44 ALA N N 15 123.558 0.039 . 1 . . . . 277 ALA N . 17867 1
139 . 1 1 45 45 GLY H H 1 8.461 0.007 . 1 . . . . 278 GLY H . 17867 1
140 . 1 1 45 45 GLY HA2 H 1 3.922 0.016 . . . . . . 278 GLY HA2 . 17867 1
141 . 1 1 45 45 GLY HA3 H 1 3.922 0.016 . . . . . . 278 GLY HA3 . 17867 1
142 . 1 1 45 45 GLY C C 13 173.900 0.073 . 1 . . . . 278 GLY C . 17867 1
143 . 1 1 45 45 GLY CA C 13 45.200 0.167 . 1 . . . . 278 GLY CA . 17867 1
144 . 1 1 45 45 GLY N N 15 107.956 0.039 . 1 . . . . 278 GLY N . 17867 1
145 . 1 1 46 46 ARG H H 1 8.136 0.007 . 1 . . . . 279 ARG H . 17867 1
146 . 1 1 46 46 ARG HA H 1 4.340 0.016 . 1 . . . . 279 ARG HA . 17867 1
147 . 1 1 46 46 ARG C C 13 176.200 0.073 . 1 . . . . 279 ARG C . 17867 1
148 . 1 1 46 46 ARG CA C 13 55.900 0.167 . 1 . . . . 279 ARG CA . 17867 1
149 . 1 1 46 46 ARG CB C 13 30.860 0.167 . 1 . . . . 279 ARG CB . 17867 1
150 . 1 1 46 46 ARG N N 15 120.427 0.039 . 1 . . . . 279 ARG N . 17867 1
151 . 1 1 47 47 ARG H H 1 8.576 0.007 . 1 . . . . 280 ARG H . 17867 1
152 . 1 1 47 47 ARG HA H 1 4.450 0.016 . 1 . . . . 280 ARG HA . 17867 1
153 . 1 1 47 47 ARG C C 13 176.700 0.073 . 1 . . . . 280 ARG C . 17867 1
154 . 1 1 47 47 ARG CA C 13 56.000 0.167 . 1 . . . . 280 ARG CA . 17867 1
155 . 1 1 47 47 ARG CB C 13 30.890 0.167 . 1 . . . . 280 ARG CB . 17867 1
156 . 1 1 47 47 ARG N N 15 122.881 0.039 . 1 . . . . 280 ARG N . 17867 1
157 . 1 1 48 48 THR H H 1 8.378 0.007 . 1 . . . . 281 THR H . 17867 1
158 . 1 1 48 48 THR HA H 1 4.370 0.016 . 1 . . . . 281 THR HA . 17867 1
159 . 1 1 48 48 THR C C 13 174.700 0.073 . 1 . . . . 281 THR C . 17867 1
160 . 1 1 48 48 THR CA C 13 61.860 0.167 . 1 . . . . 281 THR CA . 17867 1
161 . 1 1 48 48 THR CB C 13 69.780 0.167 . 1 . . . . 281 THR CB . 17867 1
162 . 1 1 48 48 THR N N 15 115.435 0.039 . 1 . . . . 281 THR N . 17867 1
163 . 1 1 49 49 SER H H 1 8.370 0.007 . 1 . . . . 282 SER H . 17867 1
164 . 1 1 49 49 SER HA H 1 4.450 0.016 . 1 . . . . 282 SER HA . 17867 1
165 . 1 1 49 49 SER C C 13 174.200 0.073 . 1 . . . . 282 SER C . 17867 1
166 . 1 1 49 49 SER CA C 13 58.360 0.167 . 1 . . . . 282 SER CA . 17867 1
167 . 1 1 49 49 SER CB C 13 63.700 0.167 . 1 . . . . 282 SER CB . 17867 1
168 . 1 1 49 49 SER N N 15 116.949 0.039 . 1 . . . . 282 SER N . 17867 1
169 . 1 1 50 50 ASP H H 1 8.365 0.007 . 1 . . . . 283 ASP H . 17867 1
170 . 1 1 50 50 ASP HA H 1 4.650 0.016 . 1 . . . . 283 ASP HA . 17867 1
171 . 1 1 50 50 ASP C C 13 176.100 0.073 . 1 . . . . 283 ASP C . 17867 1
172 . 1 1 50 50 ASP CA C 13 54.360 0.167 . 1 . . . . 283 ASP CA . 17867 1
173 . 1 1 50 50 ASP CB C 13 41.180 0.167 . 1 . . . . 283 ASP CB . 17867 1
174 . 1 1 50 50 ASP N N 15 122.083 0.039 . 1 . . . . 283 ASP N . 17867 1
175 . 1 1 51 51 SER H H 1 8.236 0.007 . 1 . . . . 284 SER H . 17867 1
176 . 1 1 51 51 SER HA H 1 4.390 0.016 . 1 . . . . 284 SER HA . 17867 1
177 . 1 1 51 51 SER C C 13 174.400 0.073 . 1 . . . . 284 SER C . 17867 1
178 . 1 1 51 51 SER CA C 13 58.440 0.167 . 1 . . . . 284 SER CA . 17867 1
179 . 1 1 51 51 SER CB C 13 63.680 0.167 . 1 . . . . 284 SER CB . 17867 1
180 . 1 1 51 51 SER N N 15 115.614 0.039 . 1 . . . . 284 SER N . 17867 1
181 . 1 1 52 52 HIS H H 1 8.449 0.007 . 1 . . . . 285 HIS H . 17867 1
182 . 1 1 52 52 HIS HA H 1 4.600 0.016 . 1 . . . . 285 HIS HA . 17867 1
183 . 1 1 52 52 HIS C C 13 175.200 0.073 . 1 . . . . 285 HIS C . 17867 1
184 . 1 1 52 52 HIS CA C 13 56.360 0.167 . 1 . . . . 285 HIS CA . 17867 1
185 . 1 1 52 52 HIS CB C 13 30.160 0.167 . 1 . . . . 285 HIS CB . 17867 1
186 . 1 1 52 52 HIS N N 15 121.148 0.039 . 1 . . . . 285 HIS N . 17867 1
187 . 1 1 53 53 GLU H H 1 8.378 0.007 . 1 . . . . 286 GLU H . 17867 1
188 . 1 1 53 53 GLU HA H 1 4.230 0.016 . 1 . . . . 286 GLU HA . 17867 1
189 . 1 1 53 53 GLU C C 13 176.000 0.073 . 1 . . . . 286 GLU C . 17867 1
190 . 1 1 53 53 GLU CA C 13 56.660 0.167 . 1 . . . . 286 GLU CA . 17867 1
191 . 1 1 53 53 GLU CB C 13 30.210 0.167 . 1 . . . . 286 GLU CB . 17867 1
192 . 1 1 53 53 GLU N N 15 121.889 0.039 . 1 . . . . 286 GLU N . 17867 1
193 . 1 1 54 54 ASP H H 1 8.488 0.007 . 1 . . . . 287 ASP H . 17867 1
194 . 1 1 54 54 ASP HA H 1 4.590 0.016 . 1 . . . . 287 ASP HA . 17867 1
195 . 1 1 54 54 ASP C C 13 176.100 0.073 . 1 . . . . 287 ASP C . 17867 1
196 . 1 1 54 54 ASP CA C 13 54.290 0.167 . 1 . . . . 287 ASP CA . 17867 1
197 . 1 1 54 54 ASP CB C 13 41.300 0.167 . 1 . . . . 287 ASP CB . 17867 1
198 . 1 1 54 54 ASP N N 15 121.574 0.039 . 1 . . . . 287 ASP N . 17867 1
199 . 1 1 55 55 ALA H H 1 8.373 0.007 . 1 . . . . 288 ALA H . 17867 1
200 . 1 1 55 55 ALA HA H 1 4.260 0.016 . 1 . . . . 288 ALA HA . 17867 1
201 . 1 1 55 55 ALA C C 13 178.300 0.073 . 1 . . . . 288 ALA C . 17867 1
202 . 1 1 55 55 ALA CA C 13 52.990 0.167 . 1 . . . . 288 ALA CA . 17867 1
203 . 1 1 55 55 ALA CB C 13 19.070 0.167 . 1 . . . . 288 ALA CB . 17867 1
204 . 1 1 55 55 ALA N N 15 124.918 0.039 . 1 . . . . 288 ALA N . 17867 1
205 . 1 1 56 56 GLY H H 1 8.486 0.007 . 1 . . . . 289 GLY H . 17867 1
206 . 1 1 56 56 GLY HA2 H 1 3.962 0.016 . . . . . . 289 GLY HA2 . 17867 1
207 . 1 1 56 56 GLY HA3 H 1 3.962 0.016 . . . . . . 289 GLY HA3 . 17867 1
208 . 1 1 56 56 GLY C C 13 174.400 0.073 . 1 . . . . 289 GLY C . 17867 1
209 . 1 1 56 56 GLY CA C 13 45.390 0.167 . 1 . . . . 289 GLY CA . 17867 1
210 . 1 1 56 56 GLY N N 15 107.444 0.039 . 1 . . . . 289 GLY N . 17867 1
211 . 1 1 57 57 THR H H 1 7.993 0.007 . 1 . . . . 290 THR H . 17867 1
212 . 1 1 57 57 THR HA H 1 4.290 0.016 . 1 . . . . 290 THR HA . 17867 1
213 . 1 1 57 57 THR C C 13 174.500 0.073 . 1 . . . . 290 THR C . 17867 1
214 . 1 1 57 57 THR CA C 13 61.980 0.167 . 1 . . . . 290 THR CA . 17867 1
215 . 1 1 57 57 THR CB C 13 69.970 0.167 . 1 . . . . 290 THR CB . 17867 1
216 . 1 1 57 57 THR N N 15 113.643 0.039 . 1 . . . . 290 THR N . 17867 1
217 . 1 1 58 58 LEU H H 1 8.236 0.007 . 1 . . . . 291 LEU H . 17867 1
218 . 1 1 58 58 LEU HA H 1 4.260 0.016 . 1 . . . . 291 LEU HA . 17867 1
219 . 1 1 58 58 LEU C C 13 176.400 0.073 . 1 . . . . 291 LEU C . 17867 1
220 . 1 1 58 58 LEU CA C 13 55.080 0.167 . 1 . . . . 291 LEU CA . 17867 1
221 . 1 1 58 58 LEU CB C 13 42.340 0.167 . 1 . . . . 291 LEU CB . 17867 1
222 . 1 1 58 58 LEU N N 15 124.342 0.039 . 1 . . . . 291 LEU N . 17867 1
223 . 1 1 59 59 ASP H H 1 8.219 0.007 . 1 . . . . 292 ASP H . 17867 1
224 . 1 1 59 59 ASP HA H 1 4.600 0.016 . 1 . . . . 292 ASP HA . 17867 1
225 . 1 1 59 59 ASP C C 13 176.300 0.073 . 1 . . . . 292 ASP C . 17867 1
226 . 1 1 59 59 ASP CA C 13 53.530 0.167 . 1 . . . . 292 ASP CA . 17867 1
227 . 1 1 59 59 ASP CB C 13 41.020 0.167 . 1 . . . . 292 ASP CB . 17867 1
228 . 1 1 59 59 ASP N N 15 120.791 0.039 . 1 . . . . 292 ASP N . 17867 1
229 . 1 1 60 60 PHE H H 1 8.438 0.007 . 1 . . . . 293 PHE H . 17867 1
230 . 1 1 60 60 PHE HA H 1 4.470 0.016 . 1 . . . . 293 PHE HA . 17867 1
231 . 1 1 60 60 PHE C C 13 176.700 0.073 . 1 . . . . 293 PHE C . 17867 1
232 . 1 1 60 60 PHE CA C 13 59.100 0.167 . 1 . . . . 293 PHE CA . 17867 1
233 . 1 1 60 60 PHE CB C 13 38.930 0.167 . 1 . . . . 293 PHE CB . 17867 1
234 . 1 1 60 60 PHE N N 15 122.385 0.039 . 1 . . . . 293 PHE N . 17867 1
235 . 1 1 61 61 SER H H 1 8.409 0.007 . 1 . . . . 294 SER H . 17867 1
236 . 1 1 61 61 SER HA H 1 4.230 0.016 . 1 . . . . 294 SER HA . 17867 1
237 . 1 1 61 61 SER C C 13 175.800 0.073 . 1 . . . . 294 SER C . 17867 1
238 . 1 1 61 61 SER CA C 13 60.250 0.167 . 1 . . . . 294 SER CA . 17867 1
239 . 1 1 61 61 SER CB C 13 63.130 0.167 . 1 . . . . 294 SER CB . 17867 1
240 . 1 1 61 61 SER N N 15 116.025 0.039 . 1 . . . . 294 SER N . 17867 1
241 . 1 1 62 62 SER H H 1 8.176 0.007 . 1 . . . . 295 SER H . 17867 1
242 . 1 1 62 62 SER HA H 1 4.330 0.016 . 1 . . . . 295 SER HA . 17867 1
243 . 1 1 62 62 SER C C 13 175.300 0.073 . 1 . . . . 295 SER C . 17867 1
244 . 1 1 62 62 SER CA C 13 59.720 0.167 . 1 . . . . 295 SER CA . 17867 1
245 . 1 1 62 62 SER CB C 13 63.160 0.167 . 1 . . . . 295 SER CB . 17867 1
246 . 1 1 62 62 SER N N 15 117.523 0.039 . 1 . . . . 295 SER N . 17867 1
247 . 1 1 63 63 LEU H H 1 7.957 0.007 . 1 . . . . 296 LEU H . 17867 1
248 . 1 1 63 63 LEU HA H 1 4.210 0.016 . 1 . . . . 296 LEU HA . 17867 1
249 . 1 1 63 63 LEU C C 13 177.900 0.073 . 1 . . . . 296 LEU C . 17867 1
250 . 1 1 63 63 LEU CA C 13 56.220 0.167 . 1 . . . . 296 LEU CA . 17867 1
251 . 1 1 63 63 LEU CB C 13 41.910 0.167 . 1 . . . . 296 LEU CB . 17867 1
252 . 1 1 63 63 LEU N N 15 122.815 0.039 . 1 . . . . 296 LEU N . 17867 1
253 . 1 1 64 64 LEU H H 1 7.888 0.007 . 1 . . . . 297 LEU H . 17867 1
254 . 1 1 64 64 LEU HA H 1 4.210 0.016 . 1 . . . . 297 LEU HA . 17867 1
255 . 1 1 64 64 LEU C C 13 177.600 0.073 . 1 . . . . 297 LEU C . 17867 1
256 . 1 1 64 64 LEU CA C 13 55.770 0.167 . 1 . . . . 297 LEU CA . 17867 1
257 . 1 1 64 64 LEU CB C 13 41.870 0.167 . 1 . . . . 297 LEU CB . 17867 1
258 . 1 1 64 64 LEU N N 15 120.130 0.039 . 1 . . . . 297 LEU N . 17867 1
259 . 1 1 65 65 LYS H H 1 7.936 0.007 . 1 . . . . 298 LYS H . 17867 1
260 . 1 1 65 65 LYS HA H 1 4.230 0.016 . 1 . . . . 298 LYS HA . 17867 1
261 . 1 1 65 65 LYS C C 13 176.900 0.073 . 1 . . . . 298 LYS C . 17867 1
262 . 1 1 65 65 LYS CA C 13 56.710 0.167 . 1 . . . . 298 LYS CA . 17867 1
263 . 1 1 65 65 LYS CB C 13 32.750 0.167 . 1 . . . . 298 LYS CB . 17867 1
264 . 1 1 65 65 LYS NZ N 15 120.407 0.039 . 1 . . . . 298 LYS NZ . 17867 1
265 . 1 1 66 66 LYS H H 1 8.162 0.007 . 1 . . . . 299 LYS H . 17867 1
266 . 1 1 66 66 LYS HA H 1 4.250 0.016 . 1 . . . . 299 LYS HA . 17867 1
267 . 1 1 66 66 LYS C C 13 177.000 0.073 . 1 . . . . 299 LYS C . 17867 1
268 . 1 1 66 66 LYS CA C 13 56.740 0.167 . 1 . . . . 299 LYS CA . 17867 1
269 . 1 1 66 66 LYS CB C 13 32.780 0.167 . 1 . . . . 299 LYS CB . 17867 1
270 . 1 1 66 66 LYS N N 15 121.806 0.039 . 1 . . . . 299 LYS N . 17867 1
271 . 1 1 67 67 ARG H H 1 8.351 0.007 . 1 . . . . 300 ARG H . 17867 1
272 . 1 1 67 67 ARG HA H 1 4.250 0.016 . 1 . . . . 300 ARG HA . 17867 1
273 . 1 1 67 67 ARG C C 13 176.400 0.073 . 1 . . . . 300 ARG C . 17867 1
274 . 1 1 67 67 ARG CA C 13 56.650 0.167 . 1 . . . . 300 ARG CA . 17867 1
275 . 1 1 67 67 ARG CB C 13 30.680 0.167 . 1 . . . . 300 ARG CB . 17867 1
276 . 1 1 67 67 ARG N N 15 122.073 0.039 . 1 . . . . 300 ARG N . 17867 1
277 . 1 1 68 68 ASP H H 1 8.386 0.007 . 1 . . . . 301 ASP H . 17867 1
278 . 1 1 68 68 ASP HA H 1 4.580 0.016 . 1 . . . . 301 ASP HA . 17867 1
279 . 1 1 68 68 ASP C C 13 176.500 0.073 . 1 . . . . 301 ASP C . 17867 1
280 . 1 1 68 68 ASP CA C 13 54.690 0.167 . 1 . . . . 301 ASP CA . 17867 1
281 . 1 1 68 68 ASP CB C 13 41.080 0.167 . 1 . . . . 301 ASP CB . 17867 1
282 . 1 1 68 68 ASP N N 15 121.143 0.039 . 1 . . . . 301 ASP N . 17867 1
283 . 1 1 69 69 SER H H 1 8.197 0.007 . 1 . . . . 302 SER H . 17867 1
284 . 1 1 69 69 SER HA H 1 4.320 0.016 . 1 . . . . 302 SER HA . 17867 1
285 . 1 1 69 69 SER C C 13 174.300 0.073 . 1 . . . . 302 SER C . 17867 1
286 . 1 1 69 69 SER CA C 13 58.880 0.167 . 1 . . . . 302 SER CA . 17867 1
287 . 1 1 69 69 SER CB C 13 63.550 0.167 . 1 . . . . 302 SER CB . 17867 1
288 . 1 1 69 69 SER N N 15 115.733 0.039 . 1 . . . . 302 SER N . 17867 1
289 . 1 1 70 70 PHE H H 1 8.143 0.007 . 1 . . . . 303 PHE H . 17867 1
290 . 1 1 70 70 PHE HA H 1 4.580 0.016 . 1 . . . . 303 PHE HA . 17867 1
291 . 1 1 70 70 PHE C C 13 175.600 0.073 . 1 . . . . 303 PHE C . 17867 1
292 . 1 1 70 70 PHE CA C 13 57.990 0.167 . 1 . . . . 303 PHE CA . 17867 1
293 . 1 1 70 70 PHE CB C 13 39.270 0.167 . 1 . . . . 303 PHE CB . 17867 1
294 . 1 1 70 70 PHE N N 15 121.560 0.039 . 1 . . . . 303 PHE N . 17867 1
295 . 1 1 71 71 ARG H H 1 8.127 0.007 . 1 . . . . 304 ARG H . 17867 1
296 . 1 1 71 71 ARG HA H 1 4.290 0.016 . 1 . . . . 304 ARG HA . 17867 1
297 . 1 1 71 71 ARG C C 13 176.000 0.073 . 1 . . . . 304 ARG C . 17867 1
298 . 1 1 71 71 ARG CA C 13 56.010 0.167 . 1 . . . . 304 ARG CA . 17867 1
299 . 1 1 71 71 ARG CB C 13 30.750 0.167 . 1 . . . . 304 ARG CB . 17867 1
300 . 1 1 71 71 ARG N N 15 122.425 0.039 . 1 . . . . 304 ARG N . 17867 1
301 . 1 1 72 72 ARG H H 1 8.417 0.007 . 1 . . . . 305 ARG H . 17867 1
302 . 1 1 72 72 ARG HA H 1 4.250 0.016 . 1 . . . . 305 ARG HA . 17867 1
303 . 1 1 72 72 ARG C C 13 176.000 0.073 . 1 . . . . 305 ARG C . 17867 1
304 . 1 1 72 72 ARG CA C 13 56.290 0.167 . 1 . . . . 305 ARG CA . 17867 1
305 . 1 1 72 72 ARG CB C 13 30.680 0.167 . 1 . . . . 305 ARG CB . 17867 1
306 . 1 1 72 72 ARG N N 15 122.681 0.039 . 1 . . . . 305 ARG N . 17867 1
307 . 1 1 73 73 ASP H H 1 8.443 0.007 . 1 . . . . 306 ASP H . 17867 1
308 . 1 1 73 73 ASP HA H 1 4.600 0.016 . 1 . . . . 306 ASP HA . 17867 1
309 . 1 1 73 73 ASP C C 13 176.300 0.073 . 1 . . . . 306 ASP C . 17867 1
310 . 1 1 73 73 ASP CA C 13 54.250 0.167 . 1 . . . . 306 ASP CA . 17867 1
311 . 1 1 73 73 ASP CB C 13 41.090 0.167 . 1 . . . . 306 ASP CB . 17867 1
312 . 1 1 73 73 ASP N N 15 121.143 0.039 . 1 . . . . 306 ASP N . 17867 1
313 . 1 1 74 74 SER H H 1 8.230 0.007 . 1 . . . . 307 SER H . 17867 1
314 . 1 1 74 74 SER HA H 1 4.360 0.016 . 1 . . . . 307 SER HA . 17867 1
315 . 1 1 74 74 SER C C 13 174.600 0.073 . 1 . . . . 307 SER C . 17867 1
316 . 1 1 74 74 SER CA C 13 58.750 0.167 . 1 . . . . 307 SER CA . 17867 1
317 . 1 1 74 74 SER CB C 13 63.640 0.167 . 1 . . . . 307 SER CB . 17867 1
318 . 1 1 74 74 SER N N 15 116.593 0.039 . 1 . . . . 307 SER N . 17867 1
319 . 1 1 75 75 LYS H H 1 8.411 0.007 . 1 . . . . 308 LYS H . 17867 1
320 . 1 1 75 75 LYS HA H 1 4.290 0.016 . 1 . . . . 308 LYS HA . 17867 1
321 . 1 1 75 75 LYS C C 13 176.500 0.073 . 1 . . . . 308 LYS C . 17867 1
322 . 1 1 75 75 LYS CA C 13 56.550 0.167 . 1 . . . . 308 LYS CA . 17867 1
323 . 1 1 75 75 LYS CB C 13 32.520 0.167 . 1 . . . . 308 LYS CB . 17867 1
324 . 1 1 75 75 LYS N N 15 122.558 0.039 . 1 . . . . 308 LYS N . 17867 1
325 . 1 1 76 76 LEU H H 1 8.129 0.007 . 1 . . . . 309 LEU H . 17867 1
326 . 1 1 76 76 LEU HA H 1 4.300 0.016 . 1 . . . . 309 LEU HA . 17867 1
327 . 1 1 76 76 LEU C C 13 177.100 0.073 . 1 . . . . 309 LEU C . 17867 1
328 . 1 1 76 76 LEU CA C 13 55.050 0.167 . 1 . . . . 309 LEU CA . 17867 1
329 . 1 1 76 76 LEU CB C 13 42.270 0.167 . 1 . . . . 309 LEU CB . 17867 1
330 . 1 1 76 76 LEU N N 15 122.172 0.039 . 1 . . . . 309 LEU N . 17867 1
331 . 1 1 77 77 GLU H H 1 8.320 0.007 . 1 . . . . 310 GLU H . 17867 1
332 . 1 1 77 77 GLU HA H 1 4.270 0.016 . 1 . . . . 310 GLU HA . 17867 1
333 . 1 1 77 77 GLU C C 13 175.500 0.073 . 1 . . . . 310 GLU C . 17867 1
334 . 1 1 77 77 GLU CA C 13 56.100 0.167 . 1 . . . . 310 GLU CA . 17867 1
335 . 1 1 77 77 GLU CB C 13 30.350 0.167 . 1 . . . . 310 GLU CB . 17867 1
336 . 1 1 77 77 GLU N N 15 121.450 0.039 . 1 . . . . 310 GLU N . 17867 1
337 . 1 1 78 78 ALA H H 1 8.313 0.007 . 1 . . . . 311 ALA H . 17867 1
338 . 1 1 78 78 ALA HA H 1 4.560 0.016 . 1 . . . . 311 ALA HA . 17867 1
339 . 1 1 78 78 ALA C C 13 175.100 0.073 . 1 . . . . 311 ALA C . 17867 1
340 . 1 1 78 78 ALA CA C 13 50.390 0.167 . 1 . . . . 311 ALA CA . 17867 1
341 . 1 1 78 78 ALA CB C 13 18.240 0.167 . 1 . . . . 311 ALA CB . 17867 1
342 . 1 1 78 78 ALA N N 15 126.059 0.039 . 1 . . . . 311 ALA N . 17867 1
343 . 1 1 79 79 PRO HA H 1 4.400 0.016 . 1 . . . . 312 PRO HA . 17867 1
344 . 1 1 79 79 PRO C C 13 176.500 0.073 . 1 . . . . 312 PRO C . 17867 1
345 . 1 1 79 79 PRO CA C 13 62.850 0.167 . 1 . . . . 312 PRO CA . 17867 1
346 . 1 1 79 79 PRO CB C 13 32.000 0.167 . 1 . . . . 312 PRO CB . 17867 1
347 . 1 1 80 80 ALA H H 1 8.569 0.007 . 1 . . . . 313 ALA H . 17867 1
348 . 1 1 80 80 ALA HA H 1 4.320 0.016 . 1 . . . . 313 ALA HA . 17867 1
349 . 1 1 80 80 ALA C C 13 178.100 0.073 . 1 . . . . 313 ALA C . 17867 1
350 . 1 1 80 80 ALA CA C 13 52.310 0.167 . 1 . . . . 313 ALA CA . 17867 1
351 . 1 1 80 80 ALA CB C 13 19.160 0.167 . 1 . . . . 313 ALA CB . 17867 1
352 . 1 1 80 80 ALA N N 15 124.622 0.039 . 1 . . . . 313 ALA N . 17867 1
353 . 1 1 81 81 GLU H H 1 8.589 0.007 . 1 . . . . 314 GLU H . 17867 1
354 . 1 1 81 81 GLU HA H 1 4.130 0.016 . 1 . . . . 314 GLU HA . 17867 1
355 . 1 1 81 81 GLU C C 13 176.900 0.073 . 1 . . . . 314 GLU C . 17867 1
356 . 1 1 81 81 GLU CA C 13 57.510 0.167 . 1 . . . . 314 GLU CA . 17867 1
357 . 1 1 81 81 GLU CB C 13 30.002 0.167 . 1 . . . . 314 GLU CB . 17867 1
358 . 1 1 81 81 GLU N N 15 120.659 0.039 . 1 . . . . 314 GLU N . 17867 1
359 . 1 1 82 82 GLU H H 1 8.631 0.007 . 1 . . . A 315 GLU H . 17867 1
360 . 1 1 82 82 GLU HA H 1 4.180 0.016 . 1 . . . A 315 GLU HA . 17867 1
361 . 1 1 82 82 GLU C C 13 176.700 0.073 . 1 . . . A 315 GLU C . 17867 1
362 . 1 1 82 82 GLU CA C 13 57.440 0.167 . 1 . . . A 315 GLU CA . 17867 1
363 . 1 1 82 82 GLU CB C 13 30.000 0.167 . 1 . . . A 315 GLU CB . 17867 1
364 . 1 1 82 82 GLU N N 15 120.115 0.039 . 1 . . . A 315 GLU N . 17867 1
365 . 1 1 83 83 ASP H H 1 8.199 0.007 . 1 . . . A 316 ASP H . 17867 1
366 . 1 1 83 83 ASP HA H 1 4.550 0.016 . 1 . . . A 316 ASP HA . 17867 1
367 . 1 1 83 83 ASP C C 13 177.400 0.073 . 1 . . . A 316 ASP C . 17867 1
368 . 1 1 83 83 ASP CA C 13 54.770 0.167 . 1 . . . A 316 ASP CA . 17867 1
369 . 1 1 83 83 ASP CB C 13 41.030 0.167 . 1 . . . A 316 ASP CB . 17867 1
370 . 1 1 83 83 ASP N N 15 121.228 0.039 . 1 . . . A 316 ASP N . 17867 1
371 . 1 1 84 84 VAL H H 1 8.096 0.007 . 1 . . . A 317 VAL H . 17867 1
372 . 1 1 84 84 VAL HA H 1 3.310 0.016 . 1 . . . A 317 VAL HA . 17867 1
373 . 1 1 84 84 VAL C C 13 175.800 0.073 . 1 . . . A 317 VAL C . 17867 1
374 . 1 1 84 84 VAL CA C 13 64.710 0.167 . 1 . . . A 317 VAL CA . 17867 1
375 . 1 1 84 84 VAL CB C 13 31.040 0.167 . 1 . . . A 317 VAL CB . 17867 1
376 . 1 1 84 84 VAL N N 15 121.668 0.039 . 1 . . . A 317 VAL N . 17867 1
377 . 1 1 85 85 TRP H H 1 7.706 0.007 . 1 . . . A 318 TRP H . 17867 1
378 . 1 1 85 85 TRP HA H 1 4.260 0.016 . 1 . . . A 318 TRP HA . 17867 1
379 . 1 1 85 85 TRP C C 13 177.500 0.073 . 1 . . . A 318 TRP C . 17867 1
380 . 1 1 85 85 TRP CA C 13 59.610 0.167 . 1 . . . A 318 TRP CA . 17867 1
381 . 1 1 85 85 TRP CB C 13 28.820 0.167 . 1 . . . A 318 TRP CB . 17867 1
382 . 1 1 85 85 TRP N N 15 121.197 0.039 . 1 . . . A 318 TRP N . 17867 1
383 . 1 1 86 86 GLU H H 1 7.604 0.007 . 1 . . . A 319 GLU H . 17867 1
384 . 1 1 86 86 GLU HA H 1 4.050 0.016 . 1 . . . A 319 GLU HA . 17867 1
385 . 1 1 86 86 GLU C C 13 178.500 0.073 . 1 . . . A 319 GLU C . 17867 1
386 . 1 1 86 86 GLU CA C 13 58.300 0.167 . 1 . . . A 319 GLU CA . 17867 1
387 . 1 1 86 86 GLU CB C 13 29.260 0.167 . 1 . . . A 319 GLU CB . 17867 1
388 . 1 1 86 86 GLU N N 15 117.895 0.039 . 1 . . . A 319 GLU N . 17867 1
389 . 1 1 87 87 ILE H H 1 7.428 0.007 . 1 . . . A 320 ILE H . 17867 1
390 . 1 1 87 87 ILE HA H 1 3.680 0.016 . 1 . . . A 320 ILE HA . 17867 1
391 . 1 1 87 87 ILE C C 13 179.300 0.073 . 1 . . . A 320 ILE C . 17867 1
392 . 1 1 87 87 ILE CA C 13 64.350 0.167 . 1 . . . A 320 ILE CA . 17867 1
393 . 1 1 87 87 ILE CB C 13 37.940 0.167 . 1 . . . A 320 ILE CB . 17867 1
394 . 1 1 87 87 ILE N N 15 119.002 0.039 . 1 . . . A 320 ILE N . 17867 1
395 . 1 1 88 88 LEU H H 1 8.231 0.007 . 1 . . . A 321 LEU H . 17867 1
396 . 1 1 88 88 LEU HA H 1 3.850 0.016 . 1 . . . A 321 LEU HA . 17867 1
397 . 1 1 88 88 LEU C C 13 178.600 0.073 . 1 . . . A 321 LEU C . 17867 1
398 . 1 1 88 88 LEU CA C 13 57.590 0.167 . 1 . . . A 321 LEU CA . 17867 1
399 . 1 1 88 88 LEU CB C 13 41.990 0.167 . 1 . . . A 321 LEU CB . 17867 1
400 . 1 1 88 88 LEU N N 15 119.705 0.039 . 1 . . . A 321 LEU N . 17867 1
401 . 1 1 89 89 ARG H H 1 8.068 0.007 . 1 . . . A 322 ARG H . 17867 1
402 . 1 1 89 89 ARG HA H 1 3.790 0.016 . 1 . . . A 322 ARG HA . 17867 1
403 . 1 1 89 89 ARG C C 13 177.500 0.073 . 1 . . . A 322 ARG C . 17867 1
404 . 1 1 89 89 ARG CA C 13 59.180 0.167 . 1 . . . A 322 ARG CA . 17867 1
405 . 1 1 89 89 ARG CB C 13 29.930 0.167 . 1 . . . A 322 ARG CB . 17867 1
406 . 1 1 89 89 ARG N N 15 116.816 0.039 . 1 . . . A 322 ARG N . 17867 1
407 . 1 1 90 90 GLN H H 1 7.275 0.007 . 1 . . . A 323 GLN H . 17867 1
408 . 1 1 90 90 GLN HA H 1 4.420 0.016 . 1 . . . A 323 GLN HA . 17867 1
409 . 1 1 90 90 GLN C C 13 175.300 0.073 . 1 . . . A 323 GLN C . 17867 1
410 . 1 1 90 90 GLN CA C 13 55.190 0.167 . 1 . . . A 323 GLN CA . 17867 1
411 . 1 1 90 90 GLN CB C 13 29.880 0.167 . 1 . . . A 323 GLN CB . 17867 1
412 . 1 1 90 90 GLN N N 15 114.097 0.039 . 1 . . . A 323 GLN N . 17867 1
413 . 1 1 91 91 ALA H H 1 7.634 0.007 . 1 . . . A 324 ALA H . 17867 1
414 . 1 1 91 91 ALA HA H 1 4.660 0.016 . 1 . . . A 324 ALA HA . 17867 1
415 . 1 1 91 91 ALA C C 13 174.300 0.073 . 1 . . . A 324 ALA C . 17867 1
416 . 1 1 91 91 ALA CA C 13 50.400 0.167 . 1 . . . A 324 ALA CA . 17867 1
417 . 1 1 91 91 ALA CB C 13 18.930 0.167 . 1 . . . A 324 ALA CB . 17867 1
418 . 1 1 91 91 ALA N N 15 124.443 0.039 . 1 . . . A 324 ALA N . 17867 1
419 . 1 1 93 93 PRO HA H 1 3.820 0.016 . 1 . . . A 326 PRO HA . 17867 1
420 . 1 1 93 93 PRO C C 13 178.300 0.073 . 1 . . . A 326 PRO C . 17867 1
421 . 1 1 93 93 PRO CA C 13 63.730 0.167 . 1 . . . A 326 PRO CA . 17867 1
422 . 1 1 93 93 PRO CB C 13 31.790 0.167 . 1 . . . A 326 PRO CB . 17867 1
423 . 1 1 94 94 SER H H 1 7.938 0.007 . 1 . . . A 327 SER H . 17867 1
424 . 1 1 94 94 SER HA H 1 4.100 0.016 . 1 . . . A 327 SER HA . 17867 1
425 . 1 1 94 94 SER C C 13 175.800 0.073 . 1 . . . A 327 SER C . 17867 1
426 . 1 1 94 94 SER CA C 13 60.170 0.167 . 1 . . . A 327 SER CA . 17867 1
427 . 1 1 94 94 SER CB C 13 62.070 0.167 . 1 . . . A 327 SER CB . 17867 1
428 . 1 1 94 94 SER N N 15 111.738 0.039 . 1 . . . A 327 SER N . 17867 1
429 . 1 1 95 95 GLU H H 1 8.201 0.007 . 1 . . . A 328 GLU H . 17867 1
430 . 1 1 95 95 GLU HA H 1 4.530 0.016 . 1 . . . A 328 GLU HA . 17867 1
431 . 1 1 95 95 GLU C C 13 176.500 0.073 . 1 . . . A 328 GLU C . 17867 1
432 . 1 1 95 95 GLU CA C 13 55.560 0.167 . 1 . . . A 328 GLU CA . 17867 1
433 . 1 1 95 95 GLU CB C 13 30.710 0.167 . 1 . . . A 328 GLU CB . 17867 1
434 . 1 1 95 95 GLU N N 15 119.807 0.039 . 1 . . . A 328 GLU N . 17867 1
435 . 1 1 96 96 TYR H H 1 7.458 0.007 . 1 . . . A 329 TYR H . 17867 1
436 . 1 1 96 96 TYR HA H 1 4.200 0.016 . 1 . . . A 329 TYR HA . 17867 1
437 . 1 1 96 96 TYR C C 13 177.300 0.073 . 1 . . . A 329 TYR C . 17867 1
438 . 1 1 96 96 TYR CA C 13 58.690 0.167 . 1 . . . A 329 TYR CA . 17867 1
439 . 1 1 96 96 TYR CB C 13 37.030 0.167 . 1 . . . A 329 TYR CB . 17867 1
440 . 1 1 96 96 TYR N N 15 118.008 0.039 . 1 . . . A 329 TYR N . 17867 1
441 . 1 1 97 97 GLU H H 1 8.679 0.007 . 1 . . . A 330 GLU H . 17867 1
442 . 1 1 97 97 GLU HA H 1 3.870 0.016 . 1 . . . A 330 GLU HA . 17867 1
443 . 1 1 97 97 GLU C C 13 178.500 0.073 . 1 . . . A 330 GLU C . 17867 1
444 . 1 1 97 97 GLU CA C 13 60.390 0.167 . 1 . . . A 330 GLU CA . 17867 1
445 . 1 1 97 97 GLU CB C 13 28.900 0.167 . 1 . . . A 330 GLU CB . 17867 1
446 . 1 1 97 97 GLU N N 15 117.216 0.039 . 1 . . . A 330 GLU N . 17867 1
447 . 1 1 98 98 ARG H H 1 8.201 0.007 . 1 . . . A 331 ARG H . 17867 1
448 . 1 1 98 98 ARG HA H 1 4.130 0.016 . 1 . . . A 331 ARG HA . 17867 1
449 . 1 1 98 98 ARG C C 13 178.900 0.073 . 1 . . . A 331 ARG C . 17867 1
450 . 1 1 98 98 ARG CA C 13 59.360 0.167 . 1 . . . A 331 ARG CA . 17867 1
451 . 1 1 98 98 ARG CB C 13 41.060 0.167 . 1 . . . A 331 ARG CB . 17867 1
452 . 1 1 98 98 ARG N N 15 121.169 0.039 . 1 . . . A 331 ARG N . 17867 1
453 . 1 1 99 99 ILE H H 1 8.320 0.007 . 1 . . . A 332 ILE H . 17867 1
454 . 1 1 99 99 ILE HA H 1 3.830 0.016 . 1 . . . A 332 ILE HA . 17867 1
455 . 1 1 99 99 ILE C C 13 178.400 0.073 . 1 . . . A 332 ILE C . 17867 1
456 . 1 1 99 99 ILE CA C 13 64.920 0.167 . 1 . . . A 332 ILE CA . 17867 1
457 . 1 1 99 99 ILE CB C 13 38.310 0.167 . 1 . . . A 332 ILE CB . 17867 1
458 . 1 1 99 99 ILE N N 15 120.544 0.039 . 1 . . . A 332 ILE N . 17867 1
459 . 1 1 100 100 ALA H H 1 8.709 0.007 . 1 . . . A 333 ALA H . 17867 1
460 . 1 1 100 100 ALA HA H 1 3.820 0.016 . 1 . . . A 333 ALA HA . 17867 1
461 . 1 1 100 100 ALA C C 13 179.500 0.073 . 1 . . . A 333 ALA C . 17867 1
462 . 1 1 100 100 ALA CA C 13 55.640 0.167 . 1 . . . A 333 ALA CA . 17867 1
463 . 1 1 100 100 ALA CB C 13 18.240 0.167 . 1 . . . A 333 ALA CB . 17867 1
464 . 1 1 100 100 ALA N N 15 122.141 . . 1 . . . A 333 ALA N . 17867 1
465 . 1 1 101 101 PHE H H 1 8.275 0.007 . 1 . . . A 334 PHE H . 17867 1
466 . 1 1 101 101 PHE HA H 1 4.350 0.016 . 1 . . . A 334 PHE HA . 17867 1
467 . 1 1 101 101 PHE C C 13 179.400 0.073 . 1 . . . A 334 PHE C . 17867 1
468 . 1 1 101 101 PHE CA C 13 60.710 0.167 . 1 . . . A 334 PHE CA . 17867 1
469 . 1 1 101 101 PHE CB C 13 38.870 0.167 . 1 . . . A 334 PHE CB . 17867 1
470 . 1 1 101 101 PHE N N 15 118.102 0.039 . 1 . . . A 334 PHE N . 17867 1
471 . 1 1 102 102 GLN H H 1 8.382 0.007 . 1 . . . A 335 GLN H . 17867 1
472 . 1 1 102 102 GLN HA H 1 3.890 0.016 . 1 . . . A 335 GLN HA . 17867 1
473 . 1 1 102 102 GLN C C 13 176.900 0.073 . 1 . . . A 335 GLN C . 17867 1
474 . 1 1 102 102 GLN CA C 13 58.130 0.167 . 1 . . . A 335 GLN CA . 17867 1
475 . 1 1 102 102 GLN CB C 13 28.400 0.167 . 1 . . . A 335 GLN CB . 17867 1
476 . 1 1 102 102 GLN N N 15 119.590 0.039 . 1 . . . A 335 GLN N . 17867 1
477 . 1 1 103 103 HIS H H 1 7.753 0.007 . 1 . . . A 336 HIS H . 17867 1
478 . 1 1 103 103 HIS HA H 1 4.500 0.016 . 1 . . . A 336 HIS HA . 17867 1
479 . 1 1 103 103 HIS C C 13 174.800 0.073 . 1 . . . A 336 HIS C . 17867 1
480 . 1 1 103 103 HIS CA C 13 56.640 0.167 . 1 . . . A 336 HIS CA . 17867 1
481 . 1 1 103 103 HIS CB C 13 30.340 0.167 . 1 . . . A 336 HIS CB . 17867 1
482 . 1 1 103 103 HIS N N 15 114.779 0.039 . 1 . . . A 336 HIS N . 17867 1
483 . 1 1 104 104 GLY H H 1 7.698 0.007 . 1 . . . A 337 GLY H . 17867 1
484 . 1 1 104 104 GLY HA2 H 1 3.942 0.016 . . . . . A 337 GLY HA2 . 17867 1
485 . 1 1 104 104 GLY HA3 H 1 3.942 0.016 . . . . . A 337 GLY HA3 . 17867 1
486 . 1 1 104 104 GLY C C 13 174.400 0.073 . 1 . . . A 337 GLY C . 17867 1
487 . 1 1 104 104 GLY CA C 13 46.440 0.167 . 1 . . . A 337 GLY CA . 17867 1
488 . 1 1 104 104 GLY N N 15 108.669 0.039 . 1 . . . A 337 GLY N . 17867 1
489 . 1 1 105 105 VAL H H 1 8.216 0.007 . 1 . . . A 338 VAL H . 17867 1
490 . 1 1 105 105 VAL HA H 1 4.000 0.016 . 1 . . . A 338 VAL HA . 17867 1
491 . 1 1 105 105 VAL C C 13 175.900 0.073 . 1 . . . A 338 VAL C . 17867 1
492 . 1 1 105 105 VAL CA C 13 62.460 0.167 . 1 . . . A 338 VAL CA . 17867 1
493 . 1 1 105 105 VAL CB C 13 32.060 0.167 . 1 . . . A 338 VAL CB . 17867 1
494 . 1 1 105 105 VAL N N 15 120.862 0.039 . 1 . . . A 338 VAL N . 17867 1
495 . 1 1 106 106 THR H H 1 8.285 0.007 . 1 . . . A 339 THR H . 17867 1
496 . 1 1 106 106 THR HA H 1 4.340 0.016 . 1 . . . A 339 THR HA . 17867 1
497 . 1 1 106 106 THR C C 13 174.800 0.073 . 1 . . . A 339 THR C . 17867 1
498 . 1 1 106 106 THR CA C 13 62.500 0.167 . 1 . . . A 339 THR CA . 17867 1
499 . 1 1 106 106 THR CB C 13 69.300 0.167 . 1 . . . A 339 THR CB . 17867 1
500 . 1 1 106 106 THR N N 15 117.786 0.039 . 1 . . . A 339 THR N . 17867 1
501 . 1 1 107 107 ASP H H 1 8.068 0.007 . 1 . . . A 340 ASP H . 17867 1
502 . 1 1 107 107 ASP HA H 1 4.280 0.016 . 1 . . . A 340 ASP HA . 17867 1
503 . 1 1 107 107 ASP C C 13 175.800 0.073 . 1 . . . A 340 ASP C . 17867 1
504 . 1 1 107 107 ASP CA C 13 52.440 0.167 . 1 . . . A 340 ASP CA . 17867 1
505 . 1 1 107 107 ASP CB C 13 40.020 0.167 . 1 . . . A 340 ASP CB . 17867 1
506 . 1 1 107 107 ASP N N 15 122.147 0.039 . 1 . . . A 340 ASP N . 17867 1
507 . 1 1 108 108 LEU H H 1 8.520 0.007 . 1 . . . A 341 LEU H . 17867 1
508 . 1 1 108 108 LEU HA H 1 3.960 0.016 . 1 . . . A 341 LEU HA . 17867 1
509 . 1 1 108 108 LEU C C 13 178.200 0.073 . 1 . . . A 341 LEU C . 17867 1
510 . 1 1 108 108 LEU CA C 13 57.540 0.167 . 1 . . . A 341 LEU CA . 17867 1
511 . 1 1 108 108 LEU CB C 13 41.720 0.167 . 1 . . . A 341 LEU CB . 17867 1
512 . 1 1 108 108 LEU N N 15 125.614 0.039 . 1 . . . A 341 LEU N . 17867 1
513 . 1 1 109 109 ARG H H 1 8.501 0.007 . 1 . . . A 342 ARG H . 17867 1
514 . 1 1 109 109 ARG HA H 1 3.930 0.016 . 1 . . . A 342 ARG HA . 17867 1
515 . 1 1 109 109 ARG C C 13 179.500 0.073 . 1 . . . A 342 ARG C . 17867 1
516 . 1 1 109 109 ARG CA C 13 59.560 0.167 . 1 . . . A 342 ARG CA . 17867 1
517 . 1 1 109 109 ARG CB C 13 29.550 0.167 . 1 . . . A 342 ARG CB . 17867 1
518 . 1 1 109 109 ARG N N 15 118.141 0.039 . 1 . . . A 342 ARG N . 17867 1
519 . 1 1 110 110 GLY H H 1 8.353 0.007 . 1 . . . A 343 GLY H . 17867 1
520 . 1 1 110 110 GLY HA2 H 1 3.939 0.016 . . . . . A 343 GLY HA2 . 17867 1
521 . 1 1 110 110 GLY HA3 H 1 3.939 0.016 . . . . . A 343 GLY HA3 . 17867 1
522 . 1 1 110 110 GLY C C 13 176.300 0.073 . 1 . . . A 343 GLY C . 17867 1
523 . 1 1 110 110 GLY CA C 13 46.940 0.167 . 1 . . . A 343 GLY CA . 17867 1
524 . 1 1 110 110 GLY N N 15 108.347 0.039 . 1 . . . A 343 GLY N . 17867 1
525 . 1 1 111 111 MET H H 1 7.984 0.007 . 1 . . . A 344 MET H . 17867 1
526 . 1 1 111 111 MET HA H 1 4.170 0.016 . 1 . . . A 344 MET HA . 17867 1
527 . 1 1 111 111 MET C C 13 177.800 0.073 . 1 . . . A 344 MET C . 17867 1
528 . 1 1 111 111 MET CA C 13 58.620 . . 1 . . . A 344 MET CA . 17867 1
529 . 1 1 111 111 MET CB C 13 32.780 . . 1 . . . A 344 MET CB . 17867 1
530 . 1 1 111 111 MET N N 15 122.736 0.039 . 1 . . . A 344 MET N . 17867 1
531 . 1 1 112 112 LEU H H 1 8.340 0.007 . 1 . . . A 345 LEU H . 17867 1
532 . 1 1 112 112 LEU HA H 1 3.990 0.016 . 1 . . . A 345 LEU HA . 17867 1
533 . 1 1 112 112 LEU C C 13 179.400 0.073 . 1 . . . A 345 LEU C . 17867 1
534 . 1 1 112 112 LEU CA C 13 57.640 0.167 . 1 . . . A 345 LEU CA . 17867 1
535 . 1 1 112 112 LEU CB C 13 41.180 0.167 . 1 . . . A 345 LEU CB . 17867 1
536 . 1 1 112 112 LEU N N 15 118.666 0.039 . 1 . . . A 345 LEU N . 17867 1
537 . 1 1 113 113 LYS H H 1 7.786 0.007 . 1 . . . A 346 LYS H . 17867 1
538 . 1 1 113 113 LYS HA H 1 4.040 0.016 . 1 . . . A 346 LYS HA . 17867 1
539 . 1 1 113 113 LYS C C 13 179.000 0.073 . 1 . . . A 346 LYS C . 17867 1
540 . 1 1 113 113 LYS CA C 13 59.140 0.167 . 1 . . . A 346 LYS CA . 17867 1
541 . 1 1 113 113 LYS CB C 13 32.340 0.167 . 1 . . . A 346 LYS CB . 17867 1
542 . 1 1 113 113 LYS N N 15 119.190 0.039 . 1 . . . A 346 LYS N . 17867 1
543 . 1 1 114 114 ARG H H 1 7.786 0.007 . 1 . . . A 347 ARG H . 17867 1
544 . 1 1 114 114 ARG HA H 1 4.080 0.016 . 1 . . . A 347 ARG HA . 17867 1
545 . 1 1 114 114 ARG C C 13 178.600 0.073 . 1 . . . A 347 ARG C . 17867 1
546 . 1 1 114 114 ARG CA C 13 58.370 0.167 . 1 . . . A 347 ARG CA . 17867 1
547 . 1 1 114 114 ARG CB C 13 30.120 0.167 . 1 . . . A 347 ARG CB . 17867 1
548 . 1 1 114 114 ARG N N 15 119.664 0.039 . 1 . . . A 347 ARG N . 17867 1
549 . 1 1 115 115 LEU H H 1 8.199 0.007 . 1 . . . A 348 LEU H . 17867 1
550 . 1 1 115 115 LEU HA H 1 4.130 0.016 . 1 . . . A 348 LEU HA . 17867 1
551 . 1 1 115 115 LEU C C 13 178.500 0.073 . 1 . . . A 348 LEU C . 17867 1
552 . 1 1 115 115 LEU CA C 13 57.000 0.167 . 1 . . . A 348 LEU CA . 17867 1
553 . 1 1 115 115 LEU CB C 13 42.110 0.167 . 1 . . . A 348 LEU CB . 17867 1
554 . 1 1 115 115 LEU N N 15 120.259 0.039 . 1 . . . A 348 LEU N . 17867 1
555 . 1 1 116 116 LYS H H 1 7.974 0.007 . 1 . . . A 349 LYS H . 17867 1
556 . 1 1 116 116 LYS HA H 1 4.150 0.016 . 1 . . . A 349 LYS HA . 17867 1
557 . 1 1 116 116 LYS C C 13 178.000 0.073 . 1 . . . A 349 LYS C . 17867 1
558 . 1 1 116 116 LYS CA C 13 57.890 0.167 . 1 . . . A 349 LYS CA . 17867 1
559 . 1 1 116 116 LYS CB C 13 32.370 0.167 . 1 . . . A 349 LYS CB . 17867 1
560 . 1 1 116 116 LYS N N 15 119.011 0.039 . 1 . . . A 349 LYS N . 17867 1
561 . 1 1 117 117 GLY H H 1 7.903 0.007 . 1 . . . . 350 GLY H . 17867 1
562 . 1 1 117 117 GLY HA2 H 1 4.153 0.016 . . . . . . 350 GLY HA2 . 17867 1
563 . 1 1 117 117 GLY HA3 H 1 4.153 0.016 . . . . . . 350 GLY HA3 . 17867 1
564 . 1 1 117 117 GLY C C 13 174.600 0.073 . 1 . . . . 350 GLY C . 17867 1
565 . 1 1 117 117 GLY CA C 13 45.670 0.167 . 1 . . . . 350 GLY CA . 17867 1
566 . 1 1 117 117 GLY N N 15 106.846 0.039 . 1 . . . . 350 GLY N . 17867 1
567 . 1 1 118 118 MET H H 1 7.884 0.007 . 1 . . . . 351 MET H . 17867 1
568 . 1 1 118 118 MET HA H 1 4.380 0.016 . 1 . . . . 351 MET HA . 17867 1
569 . 1 1 118 118 MET C C 13 176.500 0.073 . 1 . . . . 351 MET C . 17867 1
570 . 1 1 118 118 MET CA C 13 56.230 0.167 . 1 . . . . 351 MET CA . 17867 1
571 . 1 1 118 118 MET CB C 13 33.180 0.167 . 1 . . . . 351 MET CB . 17867 1
572 . 1 1 118 118 MET N N 15 119.551 0.039 . 1 . . . . 351 MET N . 17867 1
573 . 1 1 119 119 LYS H H 1 8.239 0.007 . 1 . . . . 352 LYS H . 17867 1
574 . 1 1 119 119 LYS HA H 1 4.290 0.016 . 1 . . . . 352 LYS HA . 17867 1
575 . 1 1 119 119 LYS C C 13 176.700 0.073 . 1 . . . . 352 LYS C . 17867 1
576 . 1 1 119 119 LYS CA C 13 56.470 0.167 . 1 . . . . 352 LYS CA . 17867 1
577 . 1 1 119 119 LYS CB C 13 32.750 0.167 . 1 . . . . 352 LYS CB . 17867 1
578 . 1 1 119 119 LYS N N 15 121.578 0.039 . 1 . . . . 352 LYS N . 17867 1
579 . 1 1 120 120 GLN H H 1 8.432 0.007 . 1 . . . . 353 GLN H . 17867 1
580 . 1 1 120 120 GLN HA H 1 4.300 0.016 . 1 . . . . 353 GLN HA . 17867 1
581 . 1 1 120 120 GLN C C 13 175.800 0.073 . 1 . . . . 353 GLN C . 17867 1
582 . 1 1 120 120 GLN CA C 13 56.100 0.167 . 1 . . . . 353 GLN CA . 17867 1
583 . 1 1 120 120 GLN CB C 13 29.380 0.167 . 1 . . . . 353 GLN CB . 17867 1
584 . 1 1 120 120 GLN N N 15 121.539 0.039 . 1 . . . . 353 GLN N . 17867 1
585 . 1 1 121 121 ASP H H 1 8.418 0.007 . 1 . . . . 354 ASP H . 17867 1
586 . 1 1 121 121 ASP HA H 1 4.580 0.016 . 1 . . . . 354 ASP HA . 17867 1
587 . 1 1 121 121 ASP C C 13 176.100 0.073 . 1 . . . . 354 ASP C . 17867 1
588 . 1 1 121 121 ASP CA C 13 54.470 0.167 . 1 . . . . 354 ASP CA . 17867 1
589 . 1 1 121 121 ASP CB C 13 41.050 0.167 . 1 . . . . 354 ASP CB . 17867 1
590 . 1 1 121 121 ASP N N 15 121.262 0.039 . 1 . . . . 354 ASP N . 17867 1
591 . 1 1 122 122 GLU H H 1 8.295 0.007 . 1 . . . . 355 GLU H . 17867 1
592 . 1 1 122 122 GLU HA H 1 4.250 0.016 . 1 . . . . 355 GLU HA . 17867 1
593 . 1 1 122 122 GLU C C 13 176.100 0.073 . 1 . . . . 355 GLU C . 17867 1
594 . 1 1 122 122 GLU CA C 13 56.530 0.167 . 1 . . . . 355 GLU CA . 17867 1
595 . 1 1 122 122 GLU CB C 13 30.350 0.167 . 1 . . . . 355 GLU CB . 17867 1
596 . 1 1 122 122 GLU N N 15 121.272 0.039 . 1 . . . . 355 GLU N . 17867 1
597 . 1 1 123 123 LYS H H 1 8.384 0.007 . 1 . . . . 356 LYS H . 17867 1
598 . 1 1 123 123 LYS HA H 1 4.310 0.016 . 1 . . . . 356 LYS HA . 17867 1
599 . 1 1 123 123 LYS C C 13 175.500 0.073 . 1 . . . . 356 LYS C . 17867 1
600 . 1 1 123 123 LYS CA C 13 56.240 0.167 . 1 . . . . 356 LYS CA . 17867 1
601 . 1 1 123 123 LYS CB C 13 32.630 0.167 . 1 . . . . 356 LYS CB . 17867 1
602 . 1 1 123 123 LYS N N 15 123.191 0.039 . 1 . . . . 356 LYS N . 17867 1
603 . 1 1 124 124 LYS H H 1 8.030 0.007 . 1 . . . . 357 LYS H . 17867 1
604 . 1 1 124 124 LYS HA H 1 4.160 0.016 . 1 . . . . 357 LYS HA . 17867 1
605 . 1 1 124 124 LYS C C 13 181.300 0.073 . 1 . . . . 357 LYS C . 17867 1
606 . 1 1 124 124 LYS CA C 13 57.490 0.167 . 1 . . . . 357 LYS CA . 17867 1
607 . 1 1 124 124 LYS CB C 13 33.680 0.167 . 1 . . . . 357 LYS CB . 17867 1
608 . 1 1 124 124 LYS N N 15 128.550 0.039 . 1 . . . . 357 LYS N . 17867 1
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