data_51491
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 51491
_Entry.Title
;
MEC-2 C-terminal disordered region (residues 372-481)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2022-06-14
_Entry.Accession_date 2022-06-14
_Entry.Last_release_date 2022-06-14
_Entry.Original_release_date 2022-06-14
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 Borja Mateos . . . 0000-0002-0310-4943 51491
2 Neus Sanfeliu-Cerdan . . . 0000-0002-9569-7351 51491
3 Xavier Salvatella . . . 0000-0002-8371-4185 51491
4 Michael Krieg . . . 0000-0003-0501-5036 51491
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 51491
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 201 51491
'15N chemical shifts' 76 51491
'1H chemical shifts' 75 51491
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2023-07-13 . original BMRB . 51491
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 51490 'UNC-89 SH3 domain (residues 61-128)' 51491
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 51491
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID .
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
A viscoelastic switch of Stomatin condensatesgoverns transport and mechanotransduction
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Nat. Cell Biol.'
_Citation.Journal_name_full 'Nature Cell Biology'
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Neus Sanfeliu-Cerdan . . . . 51491 1
2 Borja Mateos . . . . 51491 1
3 Carla Garcia-Cabau . . . . 51491 1
4 Frederic Catala-Castro . . . . 51491 1
5 Maria Ribera . . . . 51491 1
6 Montserrat Porta-de-la-Riva . . . . 51491 1
7 Stefan Wieser . . . . 51491 1
8 Xavier Salvatella . . . . 51491 1
9 Michael Krieg . . . . 51491 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 51491
_Assembly.ID 1
_Assembly.Name 'MEC-2 C-terminal domain'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'MEC-2 C-terminal domain' 1 $entity_1 . . yes native no no . . . 51491 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 51491
_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
;
PPKVEEPPSLPKKIRSCCLY
KYPDWVQGMVGSEGGGGHGH
SHGGGGGGLGSSQGAFHPSQ
AGSGPSTTTTSGRPLLRSMR
EAQFHSAAPPISAPNQSQTS
VSQLDPALLIR
;
_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 111
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 371 PRO . 51491 1
2 372 PRO . 51491 1
3 373 LYS . 51491 1
4 374 VAL . 51491 1
5 375 GLU . 51491 1
6 376 GLU . 51491 1
7 377 PRO . 51491 1
8 378 PRO . 51491 1
9 379 SER . 51491 1
10 380 LEU . 51491 1
11 381 PRO . 51491 1
12 382 LYS . 51491 1
13 383 LYS . 51491 1
14 384 ILE . 51491 1
15 385 ARG . 51491 1
16 386 SER . 51491 1
17 387 CYS . 51491 1
18 388 CYS . 51491 1
19 389 LEU . 51491 1
20 390 TYR . 51491 1
21 391 LYS . 51491 1
22 392 TYR . 51491 1
23 393 PRO . 51491 1
24 394 ASP . 51491 1
25 395 TRP . 51491 1
26 396 VAL . 51491 1
27 397 GLN . 51491 1
28 398 GLY . 51491 1
29 399 MET . 51491 1
30 400 VAL . 51491 1
31 401 GLY . 51491 1
32 402 SER . 51491 1
33 403 GLU . 51491 1
34 404 GLY . 51491 1
35 405 GLY . 51491 1
36 406 GLY . 51491 1
37 407 GLY . 51491 1
38 408 HIS . 51491 1
39 409 GLY . 51491 1
40 410 HIS . 51491 1
41 411 SER . 51491 1
42 412 HIS . 51491 1
43 413 GLY . 51491 1
44 414 GLY . 51491 1
45 415 GLY . 51491 1
46 416 GLY . 51491 1
47 417 GLY . 51491 1
48 418 GLY . 51491 1
49 419 LEU . 51491 1
50 420 GLY . 51491 1
51 421 SER . 51491 1
52 422 SER . 51491 1
53 423 GLN . 51491 1
54 424 GLY . 51491 1
55 425 ALA . 51491 1
56 426 PHE . 51491 1
57 427 HIS . 51491 1
58 428 PRO . 51491 1
59 429 SER . 51491 1
60 430 GLN . 51491 1
61 431 ALA . 51491 1
62 432 GLY . 51491 1
63 433 SER . 51491 1
64 434 GLY . 51491 1
65 435 PRO . 51491 1
66 436 SER . 51491 1
67 437 THR . 51491 1
68 438 THR . 51491 1
69 439 THR . 51491 1
70 440 THR . 51491 1
71 441 SER . 51491 1
72 442 GLY . 51491 1
73 443 ARG . 51491 1
74 444 PRO . 51491 1
75 445 LEU . 51491 1
76 446 LEU . 51491 1
77 447 ARG . 51491 1
78 448 SER . 51491 1
79 449 MET . 51491 1
80 450 ARG . 51491 1
81 451 GLU . 51491 1
82 452 ALA . 51491 1
83 453 GLN . 51491 1
84 454 PHE . 51491 1
85 455 HIS . 51491 1
86 456 SER . 51491 1
87 457 ALA . 51491 1
88 458 ALA . 51491 1
89 459 PRO . 51491 1
90 460 PRO . 51491 1
91 461 ILE . 51491 1
92 462 SER . 51491 1
93 463 ALA . 51491 1
94 464 PRO . 51491 1
95 465 ASN . 51491 1
96 466 GLN . 51491 1
97 467 SER . 51491 1
98 468 GLN . 51491 1
99 469 THR . 51491 1
100 470 SER . 51491 1
101 471 VAL . 51491 1
102 472 SER . 51491 1
103 473 GLN . 51491 1
104 474 LEU . 51491 1
105 475 ASP . 51491 1
106 476 PRO . 51491 1
107 477 ALA . 51491 1
108 478 LEU . 51491 1
109 479 LEU . 51491 1
110 480 ILE . 51491 1
111 481 ARG . 51491 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
. PRO 1 1 51491 1
. PRO 2 2 51491 1
. LYS 3 3 51491 1
. VAL 4 4 51491 1
. GLU 5 5 51491 1
. GLU 6 6 51491 1
. PRO 7 7 51491 1
. PRO 8 8 51491 1
. SER 9 9 51491 1
. LEU 10 10 51491 1
. PRO 11 11 51491 1
. LYS 12 12 51491 1
. LYS 13 13 51491 1
. ILE 14 14 51491 1
. ARG 15 15 51491 1
. SER 16 16 51491 1
. CYS 17 17 51491 1
. CYS 18 18 51491 1
. LEU 19 19 51491 1
. TYR 20 20 51491 1
. LYS 21 21 51491 1
. TYR 22 22 51491 1
. PRO 23 23 51491 1
. ASP 24 24 51491 1
. TRP 25 25 51491 1
. VAL 26 26 51491 1
. GLN 27 27 51491 1
. GLY 28 28 51491 1
. MET 29 29 51491 1
. VAL 30 30 51491 1
. GLY 31 31 51491 1
. SER 32 32 51491 1
. GLU 33 33 51491 1
. GLY 34 34 51491 1
. GLY 35 35 51491 1
. GLY 36 36 51491 1
. GLY 37 37 51491 1
. HIS 38 38 51491 1
. GLY 39 39 51491 1
. HIS 40 40 51491 1
. SER 41 41 51491 1
. HIS 42 42 51491 1
. GLY 43 43 51491 1
. GLY 44 44 51491 1
. GLY 45 45 51491 1
. GLY 46 46 51491 1
. GLY 47 47 51491 1
. GLY 48 48 51491 1
. LEU 49 49 51491 1
. GLY 50 50 51491 1
. SER 51 51 51491 1
. SER 52 52 51491 1
. GLN 53 53 51491 1
. GLY 54 54 51491 1
. ALA 55 55 51491 1
. PHE 56 56 51491 1
. HIS 57 57 51491 1
. PRO 58 58 51491 1
. SER 59 59 51491 1
. GLN 60 60 51491 1
. ALA 61 61 51491 1
. GLY 62 62 51491 1
. SER 63 63 51491 1
. GLY 64 64 51491 1
. PRO 65 65 51491 1
. SER 66 66 51491 1
. THR 67 67 51491 1
. THR 68 68 51491 1
. THR 69 69 51491 1
. THR 70 70 51491 1
. SER 71 71 51491 1
. GLY 72 72 51491 1
. ARG 73 73 51491 1
. PRO 74 74 51491 1
. LEU 75 75 51491 1
. LEU 76 76 51491 1
. ARG 77 77 51491 1
. SER 78 78 51491 1
. MET 79 79 51491 1
. ARG 80 80 51491 1
. GLU 81 81 51491 1
. ALA 82 82 51491 1
. GLN 83 83 51491 1
. PHE 84 84 51491 1
. HIS 85 85 51491 1
. SER 86 86 51491 1
. ALA 87 87 51491 1
. ALA 88 88 51491 1
. PRO 89 89 51491 1
. PRO 90 90 51491 1
. ILE 91 91 51491 1
. SER 92 92 51491 1
. ALA 93 93 51491 1
. PRO 94 94 51491 1
. ASN 95 95 51491 1
. GLN 96 96 51491 1
. SER 97 97 51491 1
. GLN 98 98 51491 1
. THR 99 99 51491 1
. SER 100 100 51491 1
. VAL 101 101 51491 1
. SER 102 102 51491 1
. GLN 103 103 51491 1
. LEU 104 104 51491 1
. ASP 105 105 51491 1
. PRO 106 106 51491 1
. ALA 107 107 51491 1
. LEU 108 108 51491 1
. LEU 109 109 51491 1
. ILE 110 110 51491 1
. ARG 111 111 51491 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 51491
_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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 51491 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 51491
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28 . . . 51491 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 51491
_Sample.ID 1
_Sample.Name 'MEC-2 15N 13C'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'MEC-2 C-terminal domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51491 1
2 D2O [U-2H] . . . . . . 10 . . % . . . . 51491 1
3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 51491 1
4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51491 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 51491
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'Standard conditions'
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0 . M 51491 1
pH 7.4 . pH 51491 1
pressure 1 . atm 51491 1
temperature 278 . K 51491 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 51491
_Software.ID 1
_Software.Type .
_Software.Name NMRPipe
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 51491 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 51491
_Software.ID 2
_Software.Type .
_Software.Name TOPSPIN
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 51491 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 51491
_Software.ID 3
_Software.Type .
_Software.Name MddNMR
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 51491 3
stop_
save_
save_software_4
_Software.Sf_category software
_Software.Sf_framecode software_4
_Software.Entry_ID 51491
_Software.ID 4
_Software.Type .
_Software.Name CcpNMR
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 51491 4
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 51491
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name '600MHz AVANCE III'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
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 51491
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NUS_flag
_Experiment.Interleaved_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Details
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1
2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1
3 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1
4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1
5 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1
6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 1
7 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51491 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 51491
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name 'MEC-2 chemical shift table'
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51491 1
H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51491 1
N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51491 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 51491
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'UNC89_SH3 assignment'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 51491 1
2 '3D HNCO' . . . 51491 1
3 '3D HN(CA)CO' . . . 51491 1
4 '3D HNCA' . . . 51491 1
5 '3D HN(CO)CACB' . . . 51491 1
6 '3D HNCACB' . . . 51491 1
7 '3D HN(CO)CA' . . . 51491 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
4 $software_4 . . 51491 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 PRO CA C 13 62.39128697 0 . 1 . . . . . 372 PRO CA . 51491 1
2 . 1 . 1 2 2 PRO CB C 13 32.67863151 0 . 1 . . . . . 372 PRO CB . 51491 1
3 . 1 . 1 3 3 LYS H H 1 8.444061269 0.01122785805 . 1 . . . . . 373 LYS H . 51491 1
4 . 1 . 1 3 3 LYS C C 13 176.1981406 0.04580794791 . 1 . . . . . 373 LYS C . 51491 1
5 . 1 . 1 3 3 LYS CA C 13 55.86021107 0.001892456209 . 1 . . . . . 373 LYS CA . 51491 1
6 . 1 . 1 3 3 LYS CB C 13 33.65481283 0.09164068339 . 1 . . . . . 373 LYS CB . 51491 1
7 . 1 . 1 3 3 LYS N N 15 121.5236235 0.08517053342 . 1 . . . . . 373 LYS N . 51491 1
8 . 1 . 1 4 4 VAL H H 1 8.370806832 0.03063103322 . 1 . . . . . 374 VAL H . 51491 1
9 . 1 . 1 4 4 VAL C C 13 175.617578 0.004391095189 . 1 . . . . . 374 VAL C . 51491 1
10 . 1 . 1 4 4 VAL CA C 13 61.81096933 0.01634329808 . 1 . . . . . 374 VAL CA . 51491 1
11 . 1 . 1 4 4 VAL CB C 13 33.42365175 0 . 1 . . . . . 374 VAL CB . 51491 1
12 . 1 . 1 4 4 VAL N N 15 122.8783926 0.1277687643 . 1 . . . . . 374 VAL N . 51491 1
13 . 1 . 1 5 5 GLU H H 1 8.599068641 0.009190114677 . 1 . . . . . 375 GLU H . 51491 1
14 . 1 . 1 5 5 GLU C C 13 175.6869982 0.006537101244 . 1 . . . . . 375 GLU C . 51491 1
15 . 1 . 1 5 5 GLU CA C 13 55.63861044 0.008353451121 . 1 . . . . . 375 GLU CA . 51491 1
16 . 1 . 1 5 5 GLU CB C 13 31.03763956 0.02079129286 . 1 . . . . . 375 GLU CB . 51491 1
17 . 1 . 1 5 5 GLU N N 15 125.1616163 0.01707605728 . 1 . . . . . 375 GLU N . 51491 1
18 . 1 . 1 6 6 GLU H H 1 8.571777045 0.01103844029 . 1 . . . . . 376 GLU H . 51491 1
19 . 1 . 1 6 6 GLU C C 13 173.7162689 0 . 1 . . . . . 376 GLU C . 51491 1
20 . 1 . 1 6 6 GLU CA C 13 53.88337038 0 . 1 . . . . . 376 GLU CA . 51491 1
21 . 1 . 1 6 6 GLU CB C 13 30.26515576 0 . 1 . . . . . 376 GLU CB . 51491 1
22 . 1 . 1 6 6 GLU N N 15 123.6565893 0.05389830674 . 1 . . . . . 376 GLU N . 51491 1
23 . 1 . 1 8 8 PRO C C 13 176.4791232 0 . 1 . . . . . 378 PRO C . 51491 1
24 . 1 . 1 9 9 SER H H 1 8.44232343 0.007578229848 . 1 . . . . . 379 SER H . 51491 1
25 . 1 . 1 9 9 SER C C 13 173.9145468 0.001277428147 . 1 . . . . . 379 SER C . 51491 1
26 . 1 . 1 9 9 SER N N 15 115.5002453 0.02126529118 . 1 . . . . . 379 SER N . 51491 1
27 . 1 . 1 10 10 LEU H H 1 8.347006626 0.02042862524 . 1 . . . . . 380 LEU H . 51491 1
28 . 1 . 1 10 10 LEU C C 13 174.8488125 0 . 1 . . . . . 380 LEU C . 51491 1
29 . 1 . 1 10 10 LEU N N 15 124.6847991 0.205370876 . 1 . . . . . 380 LEU N . 51491 1
30 . 1 . 1 23 23 PRO C C 13 176.3217949 0 . 1 . . . . . 393 PRO C . 51491 1
31 . 1 . 1 23 23 PRO CA C 13 63.10482499 0 . 1 . . . . . 393 PRO CA . 51491 1
32 . 1 . 1 23 23 PRO CB C 13 32.6473151 0 . 1 . . . . . 393 PRO CB . 51491 1
33 . 1 . 1 24 24 ASP H H 1 8.348859622 0.01379991199 . 1 . . . . . 394 ASP H . 51491 1
34 . 1 . 1 24 24 ASP C C 13 175.7411729 0.009588418386 . 1 . . . . . 394 ASP C . 51491 1
35 . 1 . 1 24 24 ASP CA C 13 54.27243861 0 . 1 . . . . . 394 ASP CA . 51491 1
36 . 1 . 1 24 24 ASP CB C 13 41.24788923 0 . 1 . . . . . 394 ASP CB . 51491 1
37 . 1 . 1 24 24 ASP N N 15 118.6055017 0.1438855084 . 1 . . . . . 394 ASP N . 51491 1
38 . 1 . 1 25 25 TRP H H 1 7.911622252 0.007157152931 . 1 . . . . . 395 TRP H . 51491 1
39 . 1 . 1 25 25 TRP C C 13 175.8620134 0.001467414428 . 1 . . . . . 395 TRP C . 51491 1
40 . 1 . 1 25 25 TRP CA C 13 57.57242157 0 . 1 . . . . . 395 TRP CA . 51491 1
41 . 1 . 1 25 25 TRP N N 15 119.7375956 0.02744342318 . 1 . . . . . 395 TRP N . 51491 1
42 . 1 . 1 26 26 VAL H H 1 7.555371837 0.005676854772 . 1 . . . . . 396 VAL H . 51491 1
43 . 1 . 1 26 26 VAL C C 13 174.9593302 0 . 1 . . . . . 396 VAL C . 51491 1
44 . 1 . 1 26 26 VAL CA C 13 61.88175419 0 . 1 . . . . . 396 VAL CA . 51491 1
45 . 1 . 1 26 26 VAL N N 15 122.308006 0.03208229654 . 1 . . . . . 396 VAL N . 51491 1
46 . 1 . 1 27 27 GLN H H 1 8.133663767 0.004376397245 . 1 . . . . . 397 GLN H . 51491 1
47 . 1 . 1 27 27 GLN CA C 13 56.2075711 0 . 1 . . . . . 397 GLN CA . 51491 1
48 . 1 . 1 27 27 GLN CB C 13 29.590955 0 . 1 . . . . . 397 GLN CB . 51491 1
49 . 1 . 1 27 27 GLN N N 15 122.2886579 0.02576589118 . 1 . . . . . 397 GLN N . 51491 1
50 . 1 . 1 28 28 GLY H H 1 8.467746647 0.02008771981 . 1 . . . . . 398 GLY H . 51491 1
51 . 1 . 1 28 28 GLY C C 13 173.853512 0 . 1 . . . . . 398 GLY C . 51491 1
52 . 1 . 1 28 28 GLY CA C 13 44.83994776 0 . 1 . . . . . 398 GLY CA . 51491 1
53 . 1 . 1 28 28 GLY N N 15 109.0578794 0.09919856285 . 1 . . . . . 398 GLY N . 51491 1
54 . 1 . 1 29 29 MET H H 1 8.076395595 0.03713335476 . 1 . . . . . 399 MET H . 51491 1
55 . 1 . 1 29 29 MET C C 13 176.1166609 0.01214084968 . 1 . . . . . 399 MET C . 51491 1
56 . 1 . 1 29 29 MET CA C 13 55.17795225 0.02230183213 . 1 . . . . . 399 MET CA . 51491 1
57 . 1 . 1 29 29 MET CB C 13 33.58282005 0.08231096378 . 1 . . . . . 399 MET CB . 51491 1
58 . 1 . 1 29 29 MET N N 15 118.8487519 0.175579874 . 1 . . . . . 399 MET N . 51491 1
59 . 1 . 1 30 30 VAL H H 1 8.287448583 0.02311606784 . 1 . . . . . 400 VAL H . 51491 1
60 . 1 . 1 30 30 VAL C C 13 176.4614624 0 . 1 . . . . . 400 VAL C . 51491 1
61 . 1 . 1 30 30 VAL CA C 13 62.46093187 0.009578963948 . 1 . . . . . 400 VAL CA . 51491 1
62 . 1 . 1 30 30 VAL CB C 13 33.23913343 0 . 1 . . . . . 400 VAL CB . 51491 1
63 . 1 . 1 30 30 VAL N N 15 121.0696774 0.1961721549 . 1 . . . . . 400 VAL N . 51491 1
64 . 1 . 1 31 31 GLY H H 1 8.620157413 0.00657131915 . 1 . . . . . 401 GLY H . 51491 1
65 . 1 . 1 31 31 GLY C C 13 174.0546277 0.008546703442 . 1 . . . . . 401 GLY C . 51491 1
66 . 1 . 1 31 31 GLY CA C 13 44.80993494 0 . 1 . . . . . 401 GLY CA . 51491 1
67 . 1 . 1 31 31 GLY N N 15 112.4801252 0.02170329936 . 1 . . . . . 401 GLY N . 51491 1
68 . 1 . 1 32 32 SER H H 1 8.261794007 0.01212492584 . 1 . . . . . 402 SER H . 51491 1
69 . 1 . 1 32 32 SER C C 13 174.623701 0.002831608565 . 1 . . . . . 402 SER C . 51491 1
70 . 1 . 1 32 32 SER CA C 13 58.13946874 0 . 1 . . . . . 402 SER CA . 51491 1
71 . 1 . 1 32 32 SER CB C 13 64.46203722 0 . 1 . . . . . 402 SER CB . 51491 1
72 . 1 . 1 32 32 SER N N 15 114.7400691 0.1519787634 . 1 . . . . . 402 SER N . 51491 1
73 . 1 . 1 33 33 GLU H H 1 8.732507258 0.005649480551 . 1 . . . . . 403 GLU H . 51491 1
74 . 1 . 1 33 33 GLU C C 13 176.8994601 0.01008558489 . 1 . . . . . 403 GLU C . 51491 1
75 . 1 . 1 33 33 GLU CA C 13 56.74756499 0.01513414801 . 1 . . . . . 403 GLU CA . 51491 1
76 . 1 . 1 33 33 GLU CB C 13 30.38625198 0.005598368588 . 1 . . . . . 403 GLU CB . 51491 1
77 . 1 . 1 33 33 GLU N N 15 121.990528 0.009365743217 . 1 . . . . . 403 GLU N . 51491 1
78 . 1 . 1 34 34 GLY H H 1 8.458697625 0.00496754503 . 1 . . . . . 404 GLY H . 51491 1
79 . 1 . 1 34 34 GLY C C 13 174.5723136 0.004332939048 . 1 . . . . . 404 GLY C . 51491 1
80 . 1 . 1 34 34 GLY CA C 13 45.01101108 0.03657715393 . 1 . . . . . 404 GLY CA . 51491 1
81 . 1 . 1 34 34 GLY N N 15 108.8959486 0.01117743965 . 1 . . . . . 404 GLY N . 51491 1
82 . 1 . 1 35 35 GLY H H 1 8.301337399 0.00581624403 . 1 . . . . . 405 GLY H . 51491 1
83 . 1 . 1 35 35 GLY C C 13 174.5437721 0 . 1 . . . . . 405 GLY C . 51491 1
84 . 1 . 1 35 35 GLY CA C 13 45.02980433 0 . 1 . . . . . 405 GLY CA . 51491 1
85 . 1 . 1 35 35 GLY N N 15 107.8526527 0.01304109601 . 1 . . . . . 405 GLY N . 51491 1
86 . 1 . 1 37 37 GLY C C 13 173.4392812 0 . 1 . . . . . 407 GLY C . 51491 1
87 . 1 . 1 39 39 GLY H H 1 8.313927422 0.002534745991 . 1 . . . . . 409 GLY H . 51491 1
88 . 1 . 1 39 39 GLY N N 15 107.6676224 0.009649870523 . 1 . . . . . 409 GLY N . 51491 1
89 . 1 . 1 40 40 HIS H H 1 8.223373423 0.006723556754 . 1 . . . . . 410 HIS H . 51491 1
90 . 1 . 1 40 40 HIS N N 15 118.1492602 0.184521985 . 1 . . . . . 410 HIS N . 51491 1
91 . 1 . 1 47 47 GLY C C 13 174.5135514 0 . 1 . . . . . 417 GLY C . 51491 1
92 . 1 . 1 48 48 GLY H H 1 8.333313496 0.02437442274 . 1 . . . . . 418 GLY H . 51491 1
93 . 1 . 1 48 48 GLY C C 13 174.1181638 0.006952682138 . 1 . . . . . 418 GLY C . 51491 1
94 . 1 . 1 48 48 GLY CA C 13 44.69717007 0.001061537833 . 1 . . . . . 418 GLY CA . 51491 1
95 . 1 . 1 48 48 GLY N N 15 107.7766128 0.07629884156 . 1 . . . . . 418 GLY N . 51491 1
96 . 1 . 1 49 49 LEU H H 1 8.31008507 0.01019764638 . 1 . . . . . 419 LEU H . 51491 1
97 . 1 . 1 49 49 LEU C C 13 177.9834748 0.009589701857 . 1 . . . . . 419 LEU C . 51491 1
98 . 1 . 1 49 49 LEU CA C 13 55.1055957 0.01567483274 . 1 . . . . . 419 LEU CA . 51491 1
99 . 1 . 1 49 49 LEU CB C 13 42.87563923 0.03928125457 . 1 . . . . . 419 LEU CB . 51491 1
100 . 1 . 1 49 49 LEU N N 15 120.7849514 0.1755375214 . 1 . . . . . 419 LEU N . 51491 1
101 . 1 . 1 50 50 GLY H H 1 8.577534365 0.005104656284 . 1 . . . . . 420 GLY H . 51491 1
102 . 1 . 1 50 50 GLY C C 13 174.0862336 0.00944119617 . 1 . . . . . 420 GLY C . 51491 1
103 . 1 . 1 50 50 GLY CA C 13 44.9753053 0.0145248795 . 1 . . . . . 420 GLY CA . 51491 1
104 . 1 . 1 50 50 GLY N N 15 109.1344586 0.01481853032 . 1 . . . . . 420 GLY N . 51491 1
105 . 1 . 1 51 51 SER H H 1 8.239499888 0.006975528528 . 1 . . . . . 421 SER H . 51491 1
106 . 1 . 1 51 51 SER C C 13 174.6840026 0 . 1 . . . . . 421 SER C . 51491 1
107 . 1 . 1 51 51 SER CA C 13 57.98910645 0 . 1 . . . . . 421 SER CA . 51491 1
108 . 1 . 1 51 51 SER CB C 13 64.45803469 0 . 1 . . . . . 421 SER CB . 51491 1
109 . 1 . 1 51 51 SER N N 15 114.717159 0.02180796134 . 1 . . . . . 421 SER N . 51491 1
110 . 1 . 1 52 52 SER H H 1 8.382708142 0.004644305661 . 1 . . . . . 422 SER H . 51491 1
111 . 1 . 1 52 52 SER C C 13 174.4016403 0 . 1 . . . . . 422 SER C . 51491 1
112 . 1 . 1 52 52 SER CA C 13 58.29350821 0 . 1 . . . . . 422 SER CA . 51491 1
113 . 1 . 1 52 52 SER N N 15 117.2076339 0.01985390168 . 1 . . . . . 422 SER N . 51491 1
114 . 1 . 1 53 53 GLN H H 1 8.423933901 0.01237718115 . 1 . . . . . 423 GLN H . 51491 1
115 . 1 . 1 53 53 GLN C C 13 176.105398 0.008549069777 . 1 . . . . . 423 GLN C . 51491 1
116 . 1 . 1 53 53 GLN CA C 13 55.78670967 0.01344711848 . 1 . . . . . 423 GLN CA . 51491 1
117 . 1 . 1 53 53 GLN CB C 13 29.9130144 0.0009254802427 . 1 . . . . . 423 GLN CB . 51491 1
118 . 1 . 1 53 53 GLN N N 15 121.0028447 0.08975509155 . 1 . . . . . 423 GLN N . 51491 1
119 . 1 . 1 54 54 GLY H H 1 8.377509905 0.004728098839 . 1 . . . . . 424 GLY H . 51491 1
120 . 1 . 1 54 54 GLY C C 13 173.2978758 0.01068203071 . 1 . . . . . 424 GLY C . 51491 1
121 . 1 . 1 54 54 GLY CA C 13 44.78351234 0.01272926376 . 1 . . . . . 424 GLY CA . 51491 1
122 . 1 . 1 54 54 GLY N N 15 109.0708695 0.009030648322 . 1 . . . . . 424 GLY N . 51491 1
123 . 1 . 1 55 55 ALA H H 1 8.105198077 0.01474857169 . 1 . . . . . 425 ALA H . 51491 1
124 . 1 . 1 55 55 ALA C C 13 176.8440634 0.00529554627 . 1 . . . . . 425 ALA C . 51491 1
125 . 1 . 1 55 55 ALA CA C 13 51.95643202 0.0135564373 . 1 . . . . . 425 ALA CA . 51491 1
126 . 1 . 1 55 55 ALA CB C 13 19.88507196 0.01931800402 . 1 . . . . . 425 ALA CB . 51491 1
127 . 1 . 1 55 55 ALA N N 15 122.4878956 0.1159114803 . 1 . . . . . 425 ALA N . 51491 1
128 . 1 . 1 56 56 PHE H H 1 8.214499765 0.01074217685 . 1 . . . . . 426 PHE H . 51491 1
129 . 1 . 1 56 56 PHE C C 13 174.6262524 0.008381978495 . 1 . . . . . 426 PHE C . 51491 1
130 . 1 . 1 56 56 PHE CA C 13 57.0941793 0.02457089614 . 1 . . . . . 426 PHE CA . 51491 1
131 . 1 . 1 56 56 PHE CB C 13 40.20914476 0.01183692263 . 1 . . . . . 426 PHE CB . 51491 1
132 . 1 . 1 56 56 PHE N N 15 118.6316374 0.01769848817 . 1 . . . . . 426 PHE N . 51491 1
133 . 1 . 1 57 57 HIS H H 1 8.17657213 0.01175194621 . 1 . . . . . 427 HIS H . 51491 1
134 . 1 . 1 57 57 HIS C C 13 173.0407591 0 . 1 . . . . . 427 HIS C . 51491 1
135 . 1 . 1 57 57 HIS CA C 13 53.81765236 0 . 1 . . . . . 427 HIS CA . 51491 1
136 . 1 . 1 57 57 HIS CB C 13 31.79646064 0 . 1 . . . . . 427 HIS CB . 51491 1
137 . 1 . 1 57 57 HIS N N 15 123.4857358 0.05663136291 . 1 . . . . . 427 HIS N . 51491 1
138 . 1 . 1 58 58 PRO C C 13 176.7930655 0 . 1 . . . . . 428 PRO C . 51491 1
139 . 1 . 1 58 58 PRO CA C 13 63.15674475 0 . 1 . . . . . 428 PRO CA . 51491 1
140 . 1 . 1 58 58 PRO CB C 13 32.71145056 0 . 1 . . . . . 428 PRO CB . 51491 1
141 . 1 . 1 59 59 SER H H 1 8.823657758 0.01394911075 . 1 . . . . . 429 SER H . 51491 1
142 . 1 . 1 59 59 SER C C 13 174.5909596 0.01716361017 . 1 . . . . . 429 SER C . 51491 1
143 . 1 . 1 59 59 SER CA C 13 58.50915637 0 . 1 . . . . . 429 SER CA . 51491 1
144 . 1 . 1 59 59 SER CB C 13 64.32167533 0 . 1 . . . . . 429 SER CB . 51491 1
145 . 1 . 1 59 59 SER N N 15 115.4130787 0.01012871268 . 1 . . . . . 429 SER N . 51491 1
146 . 1 . 1 60 60 GLN H H 1 8.438766469 0.008146438374 . 1 . . . . . 430 GLN H . 51491 1
147 . 1 . 1 60 60 GLN C C 13 175.4952597 0.0001601832217 . 1 . . . . . 430 GLN C . 51491 1
148 . 1 . 1 60 60 GLN CA C 13 55.32353005 0 . 1 . . . . . 430 GLN CA . 51491 1
149 . 1 . 1 60 60 GLN CB C 13 29.94927853 0 . 1 . . . . . 430 GLN CB . 51491 1
150 . 1 . 1 60 60 GLN N N 15 121.3745686 0.02367236818 . 1 . . . . . 430 GLN N . 51491 1
151 . 1 . 1 61 61 ALA H H 1 8.324133189 0.008657945829 . 1 . . . . . 431 ALA H . 51491 1
152 . 1 . 1 61 61 ALA C C 13 177.994873 0.0006599453832 . 1 . . . . . 431 ALA C . 51491 1
153 . 1 . 1 61 61 ALA CA C 13 52.54423247 0.01440198212 . 1 . . . . . 431 ALA CA . 51491 1
154 . 1 . 1 61 61 ALA CB C 13 19.68788104 0.01055571537 . 1 . . . . . 431 ALA CB . 51491 1
155 . 1 . 1 61 61 ALA N N 15 124.4143534 0.1316031957 . 1 . . . . . 431 ALA N . 51491 1
156 . 1 . 1 62 62 GLY H H 1 8.450889838 0.0379798129 . 1 . . . . . 432 GLY H . 51491 1
157 . 1 . 1 62 62 GLY C C 13 173.8790894 0.01327060356 . 1 . . . . . 432 GLY C . 51491 1
158 . 1 . 1 62 62 GLY CA C 13 44.85402475 0.01569014816 . 1 . . . . . 432 GLY CA . 51491 1
159 . 1 . 1 62 62 GLY N N 15 107.8395917 0.3958712388 . 1 . . . . . 432 GLY N . 51491 1
160 . 1 . 1 63 63 SER C C 13 174.3260334 0.02135072437 . 1 . . . . . 433 SER C . 51491 1
161 . 1 . 1 63 63 SER CA C 13 57.92043435 0.0121216971 . 1 . . . . . 433 SER CA . 51491 1
162 . 1 . 1 63 63 SER CB C 13 64.64387574 0.02337806571 . 1 . . . . . 433 SER CB . 51491 1
163 . 1 . 1 63 63 SER N N 15 114.5780728 0.05312014227 . 1 . . . . . 433 SER N . 51491 1
164 . 1 . 1 64 64 GLY H H 1 8.377630101 0.01091360997 . 1 . . . . . 434 GLY H . 51491 1
165 . 1 . 1 64 64 GLY CA C 13 44.26759056 0 . 1 . . . . . 434 GLY CA . 51491 1
166 . 1 . 1 64 64 GLY N N 15 109.9284393 0.02790318618 . 1 . . . . . 434 GLY N . 51491 1
167 . 1 . 1 66 66 SER H H 1 8.262193701 0.006144651965 . 1 . . . . . 436 SER H . 51491 1
168 . 1 . 1 66 66 SER C C 13 176.9487383 0 . 1 . . . . . 436 SER C . 51491 1
169 . 1 . 1 66 66 SER N N 15 114.6195209 0.05125624578 . 1 . . . . . 436 SER N . 51491 1
170 . 1 . 1 67 67 THR H H 1 8.586904908 0.006146908234 . 1 . . . . . 437 THR H . 51491 1
171 . 1 . 1 67 67 THR C C 13 174.7761174 0.01600339704 . 1 . . . . . 437 THR C . 51491 1
172 . 1 . 1 67 67 THR N N 15 115.3873442 0.01061318117 . 1 . . . . . 437 THR N . 51491 1
173 . 1 . 1 68 68 THR H H 1 8.31612938 0.005367934608 . 1 . . . . . 438 THR H . 51491 1
174 . 1 . 1 68 68 THR C C 13 174.511617 0.01594301495 . 1 . . . . . 438 THR C . 51491 1
175 . 1 . 1 68 68 THR N N 15 114.9960459 0.01535895367 . 1 . . . . . 438 THR N . 51491 1
176 . 1 . 1 69 69 THR H H 1 8.250595139 0.008469338365 . 1 . . . . . 439 THR H . 51491 1
177 . 1 . 1 69 69 THR C C 13 174.5370181 0 . 1 . . . . . 439 THR C . 51491 1
178 . 1 . 1 69 69 THR N N 15 115.2895766 0.0151847262 . 1 . . . . . 439 THR N . 51491 1
179 . 1 . 1 70 70 THR H H 1 8.320262264 0.003982580702 . 1 . . . . . 440 THR H . 51491 1
180 . 1 . 1 70 70 THR C C 13 174.6251766 0 . 1 . . . . . 440 THR C . 51491 1
181 . 1 . 1 70 70 THR N N 15 115.5604247 0.008629502475 . 1 . . . . . 440 THR N . 51491 1
182 . 1 . 1 71 71 SER C C 13 174.6844601 0 . 1 . . . . . 441 SER C . 51491 1
183 . 1 . 1 72 72 GLY H H 1 8.442770217 0.004451127012 . 1 . . . . . 442 GLY H . 51491 1
184 . 1 . 1 72 72 GLY C C 13 173.4392812 0 . 1 . . . . . 442 GLY C . 51491 1
185 . 1 . 1 72 72 GLY CA C 13 44.75182708 0 . 1 . . . . . 442 GLY CA . 51491 1
186 . 1 . 1 72 72 GLY N N 15 109.9671153 0.008112672379 . 1 . . . . . 442 GLY N . 51491 1
187 . 1 . 1 73 73 ARG H H 1 8.125628228 0.01104002968 . 1 . . . . . 443 ARG H . 51491 1
188 . 1 . 1 73 73 ARG C C 13 173.8929319 0 . 1 . . . . . 443 ARG C . 51491 1
189 . 1 . 1 73 73 ARG N N 15 120.6978392 0.01335850767 . 1 . . . . . 443 ARG N . 51491 1
190 . 1 . 1 74 74 PRO CA C 13 62.7769253 0 . 1 . . . . . 444 PRO CA . 51491 1
191 . 1 . 1 74 74 PRO CB C 13 32.68503034 0 . 1 . . . . . 444 PRO CB . 51491 1
192 . 1 . 1 75 75 LEU H H 1 8.407936775 0.0107864015 . 1 . . . . . 445 LEU H . 51491 1
193 . 1 . 1 75 75 LEU CA C 13 54.74445537 0.05631264897 . 1 . . . . . 445 LEU CA . 51491 1
194 . 1 . 1 75 75 LEU CB C 13 42.89879046 0.02100076997 . 1 . . . . . 445 LEU CB . 51491 1
195 . 1 . 1 75 75 LEU N N 15 121.9932483 0.006730975764 . 1 . . . . . 445 LEU N . 51491 1
196 . 1 . 1 76 76 LEU H H 1 8.261591327 0.005912380406 . 1 . . . . . 446 LEU H . 51491 1
197 . 1 . 1 76 76 LEU CA C 13 54.68814272 0 . 1 . . . . . 446 LEU CA . 51491 1
198 . 1 . 1 76 76 LEU CB C 13 42.91979123 0 . 1 . . . . . 446 LEU CB . 51491 1
199 . 1 . 1 76 76 LEU N N 15 122.8273873 0.01435742313 . 1 . . . . . 446 LEU N . 51491 1
200 . 1 . 1 77 77 ARG H H 1 8.431439033 0.02020279497 . 1 . . . . . 447 ARG H . 51491 1
201 . 1 . 1 77 77 ARG CB C 13 31.26867996 0 . 1 . . . . . 447 ARG CB . 51491 1
202 . 1 . 1 77 77 ARG N N 15 122.5293792 0.126774451 . 1 . . . . . 447 ARG N . 51491 1
203 . 1 . 1 78 78 SER H H 1 8.432546553 0.00731966099 . 1 . . . . . 448 SER H . 51491 1
204 . 1 . 1 78 78 SER N N 15 115.6498743 0.2264397334 . 1 . . . . . 448 SER N . 51491 1
205 . 1 . 1 79 79 MET H H 1 8.436363425 0.00324257643 . 1 . . . . . 449 MET H . 51491 1
206 . 1 . 1 79 79 MET C C 13 176.3374301 0 . 1 . . . . . 449 MET C . 51491 1
207 . 1 . 1 79 79 MET CA C 13 55.58953694 0 . 1 . . . . . 449 MET CA . 51491 1
208 . 1 . 1 79 79 MET CB C 13 33.03600499 0 . 1 . . . . . 449 MET CB . 51491 1
209 . 1 . 1 79 79 MET N N 15 121.5534793 0.008387713786 . 1 . . . . . 449 MET N . 51491 1
210 . 1 . 1 80 80 ARG H H 1 8.287019798 0.01559400327 . 1 . . . . . 450 ARG H . 51491 1
211 . 1 . 1 80 80 ARG C C 13 176.4083161 0.0005294773695 . 1 . . . . . 450 ARG C . 51491 1
212 . 1 . 1 80 80 ARG CA C 13 56.43120793 0 . 1 . . . . . 450 ARG CA . 51491 1
213 . 1 . 1 80 80 ARG CB C 13 31.1762118 0 . 1 . . . . . 450 ARG CB . 51491 1
214 . 1 . 1 80 80 ARG N N 15 120.5760196 0.1181222083 . 1 . . . . . 450 ARG N . 51491 1
215 . 1 . 1 81 81 GLU H H 1 8.396170753 0.02057324207 . 1 . . . . . 451 GLU H . 51491 1
216 . 1 . 1 81 81 GLU C C 13 176.292167 0.004972315217 . 1 . . . . . 451 GLU C . 51491 1
217 . 1 . 1 81 81 GLU CA C 13 56.6151222 0 . 1 . . . . . 451 GLU CA . 51491 1
218 . 1 . 1 81 81 GLU CB C 13 30.69956444 0.04118486369 . 1 . . . . . 451 GLU CB . 51491 1
219 . 1 . 1 81 81 GLU N N 15 120.3770771 0.1217461867 . 1 . . . . . 451 GLU N . 51491 1
220 . 1 . 1 82 82 ALA H H 1 8.284419899 0.005690760719 . 1 . . . . . 452 ALA H . 51491 1
221 . 1 . 1 82 82 ALA C C 13 177.5622995 0.0002553568721 . 1 . . . . . 452 ALA C . 51491 1
222 . 1 . 1 82 82 ALA CA C 13 52.61030197 0.01004056114 . 1 . . . . . 452 ALA CA . 51491 1
223 . 1 . 1 82 82 ALA CB C 13 19.55243606 0.001344099388 . 1 . . . . . 452 ALA CB . 51491 1
224 . 1 . 1 82 82 ALA N N 15 123.442461 0.01376504529 . 1 . . . . . 452 ALA N . 51491 1
225 . 1 . 1 83 83 GLN H H 1 8.225190828 0.00999973494 . 1 . . . . . 453 GLN H . 51491 1
226 . 1 . 1 83 83 GLN C C 13 175.4634058 0.0001201326847 . 1 . . . . . 453 GLN C . 51491 1
227 . 1 . 1 83 83 GLN CA C 13 55.62065245 0.004888550685 . 1 . . . . . 453 GLN CA . 51491 1
228 . 1 . 1 83 83 GLN CB C 13 29.91740858 0.02512109112 . 1 . . . . . 453 GLN CB . 51491 1
229 . 1 . 1 83 83 GLN N N 15 117.8022073 0.1258452132 . 1 . . . . . 453 GLN N . 51491 1
230 . 1 . 1 84 84 PHE H H 1 8.164182302 0.005010258879 . 1 . . . . . 454 PHE H . 51491 1
231 . 1 . 1 84 84 PHE C C 13 175.1302867 0.005474787013 . 1 . . . . . 454 PHE C . 51491 1
232 . 1 . 1 84 84 PHE CA C 13 57.47171661 0 . 1 . . . . . 454 PHE CA . 51491 1
233 . 1 . 1 84 84 PHE CB C 13 40.11488008 0 . 1 . . . . . 454 PHE CB . 51491 1
234 . 1 . 1 84 84 PHE N N 15 119.9026814 0.007077419567 . 1 . . . . . 454 PHE N . 51491 1
235 . 1 . 1 85 85 HIS H H 1 8.173281131 0.004791033511 . 1 . . . . . 455 HIS H . 51491 1
236 . 1 . 1 85 85 HIS C C 13 174.7788671 0 . 1 . . . . . 455 HIS C . 51491 1
237 . 1 . 1 85 85 HIS N N 15 120.7008175 0.03739029834 . 1 . . . . . 455 HIS N . 51491 1
238 . 1 . 1 86 86 SER H H 1 8.231886558 0.005242485082 . 1 . . . . . 456 SER H . 51491 1
239 . 1 . 1 86 86 SER C C 13 173.5829835 0 . 1 . . . . . 456 SER C . 51491 1
240 . 1 . 1 86 86 SER N N 15 116.7013746 0.01523944535 . 1 . . . . . 456 SER N . 51491 1
241 . 1 . 1 87 87 ALA H H 1 8.379669423 0.004732332881 . 1 . . . . . 457 ALA H . 51491 1
242 . 1 . 1 87 87 ALA C C 13 176.6477484 0.001893854088 . 1 . . . . . 457 ALA C . 51491 1
243 . 1 . 1 87 87 ALA CB C 13 19.8878669 0.009662473266 . 1 . . . . . 457 ALA CB . 51491 1
244 . 1 . 1 87 87 ALA N N 15 125.331837 0.06257378399 . 1 . . . . . 457 ALA N . 51491 1
245 . 1 . 1 88 88 ALA H H 1 8.273133322 0.004329627498 . 1 . . . . . 458 ALA H . 51491 1
246 . 1 . 1 88 88 ALA C C 13 174.6648014 0 . 1 . . . . . 458 ALA C . 51491 1
247 . 1 . 1 88 88 ALA CA C 13 50.0480684 0 . 1 . . . . . 458 ALA CA . 51491 1
248 . 1 . 1 88 88 ALA CB C 13 18.50253636 0 . 1 . . . . . 458 ALA CB . 51491 1
249 . 1 . 1 88 88 ALA N N 15 124.2521575 0.00792583193 . 1 . . . . . 458 ALA N . 51491 1
250 . 1 . 1 90 90 PRO C C 13 176.6071059 0 . 1 . . . . . 460 PRO C . 51491 1
251 . 1 . 1 90 90 PRO CA C 13 62.34377466 0 . 1 . . . . . 460 PRO CA . 51491 1
252 . 1 . 1 90 90 PRO CB C 13 32.56095712 0 . 1 . . . . . 460 PRO CB . 51491 1
253 . 1 . 1 91 91 ILE H H 1 8.332472518 0.01585075006 . 1 . . . . . 461 ILE H . 51491 1
254 . 1 . 1 91 91 ILE C C 13 176.1063844 0.002577773033 . 1 . . . . . 461 ILE C . 51491 1
255 . 1 . 1 91 91 ILE CA C 13 60.815119 0.001229101031 . 1 . . . . . 461 ILE CA . 51491 1
256 . 1 . 1 91 91 ILE CB C 13 39.41594122 0.02828500773 . 1 . . . . . 461 ILE CB . 51491 1
257 . 1 . 1 91 91 ILE N N 15 120.4861751 0.03547276583 . 1 . . . . . 461 ILE N . 51491 1
258 . 1 . 1 92 92 SER H H 1 8.411604559 0.005725140794 . 1 . . . . . 462 SER H . 51491 1
259 . 1 . 1 92 92 SER C C 13 173.2761043 0.006571802306 . 1 . . . . . 462 SER C . 51491 1
260 . 1 . 1 92 92 SER CA C 13 57.59164693 0.005085666468 . 1 . . . . . 462 SER CA . 51491 1
261 . 1 . 1 92 92 SER CB C 13 64.44644295 0.01399390736 . 1 . . . . . 462 SER CB . 51491 1
262 . 1 . 1 92 92 SER N N 15 119.6033038 0.0153794233 . 1 . . . . . 462 SER N . 51491 1
263 . 1 . 1 93 93 ALA H H 1 8.416114486 0.006171766388 . 1 . . . . . 463 ALA H . 51491 1
264 . 1 . 1 93 93 ALA C C 13 175.2015079 0 . 1 . . . . . 463 ALA C . 51491 1
265 . 1 . 1 93 93 ALA CA C 13 50.25445546 0 . 1 . . . . . 463 ALA CA . 51491 1
266 . 1 . 1 93 93 ALA CB C 13 18.75762824 0 . 1 . . . . . 463 ALA CB . 51491 1
267 . 1 . 1 93 93 ALA N N 15 126.7397537 0.01120717481 . 1 . . . . . 463 ALA N . 51491 1
268 . 1 . 1 94 94 PRO C C 13 176.4845683 0 . 1 . . . . . 464 PRO C . 51491 1
269 . 1 . 1 94 94 PRO CA C 13 62.8071476 0 . 1 . . . . . 464 PRO CA . 51491 1
270 . 1 . 1 94 94 PRO CB C 13 32.74787165 0 . 1 . . . . . 464 PRO CB . 51491 1
271 . 1 . 1 95 95 ASN H H 1 8.600634686 0.005253178138 . 1 . . . . . 465 ASN H . 51491 1
272 . 1 . 1 95 95 ASN C C 13 175.1178142 0.005526984924 . 1 . . . . . 465 ASN C . 51491 1
273 . 1 . 1 95 95 ASN CA C 13 53.00406035 0.01256936396 . 1 . . . . . 465 ASN CA . 51491 1
274 . 1 . 1 95 95 ASN CB C 13 39.13405035 0.01874862318 . 1 . . . . . 465 ASN CB . 51491 1
275 . 1 . 1 95 95 ASN N N 15 117.6538653 0.01740561406 . 1 . . . . . 465 ASN N . 51491 1
276 . 1 . 1 96 96 GLN H H 1 8.443361601 0.00624129679 . 1 . . . . . 466 GLN H . 51491 1
277 . 1 . 1 96 96 GLN C C 13 175.8172762 0.002088729641 . 1 . . . . . 466 GLN C . 51491 1
278 . 1 . 1 96 96 GLN CA C 13 55.63222705 0.02357048291 . 1 . . . . . 466 GLN CA . 51491 1
279 . 1 . 1 96 96 GLN CB C 13 29.95379145 0.04273931368 . 1 . . . . . 466 GLN CB . 51491 1
280 . 1 . 1 96 96 GLN N N 15 120.145325 0.02025862254 . 1 . . . . . 466 GLN N . 51491 1
281 . 1 . 1 97 97 SER H H 1 8.452362013 0.01651134553 . 1 . . . . . 467 SER H . 51491 1
282 . 1 . 1 97 97 SER C C 13 174.3579275 0.01781365751 . 1 . . . . . 467 SER C . 51491 1
283 . 1 . 1 97 97 SER CA C 13 58.34502701 0.007105524078 . 1 . . . . . 467 SER CA . 51491 1
284 . 1 . 1 97 97 SER CB C 13 64.21749012 0.001421567614 . 1 . . . . . 467 SER CB . 51491 1
285 . 1 . 1 97 97 SER N N 15 116.1788509 0.1421229735 . 1 . . . . . 467 SER N . 51491 1
286 . 1 . 1 98 98 GLN H H 1 8.515940683 0.006542539214 . 1 . . . . . 468 GLN H . 51491 1
287 . 1 . 1 98 98 GLN C C 13 175.9026119 0.002868569911 . 1 . . . . . 468 GLN C . 51491 1
288 . 1 . 1 98 98 GLN CA C 13 55.55266284 0.01081806078 . 1 . . . . . 468 GLN CA . 51491 1
289 . 1 . 1 98 98 GLN CB C 13 29.9916839 0.009311163939 . 1 . . . . . 468 GLN CB . 51491 1
290 . 1 . 1 98 98 GLN N N 15 121.4333028 0.007748537562 . 1 . . . . . 468 GLN N . 51491 1
291 . 1 . 1 99 99 THR H H 1 8.257354377 0.006590565202 . 1 . . . . . 469 THR H . 51491 1
292 . 1 . 1 99 99 THR C C 13 174.2801115 0.003453893979 . 1 . . . . . 469 THR C . 51491 1
293 . 1 . 1 99 99 THR CA C 13 61.64890912 0.008555746566 . 1 . . . . . 469 THR CA . 51491 1
294 . 1 . 1 99 99 THR CB C 13 70.37181658 0.02028006328 . 1 . . . . . 469 THR CB . 51491 1
295 . 1 . 1 99 99 THR N N 15 114.5127156 0.1068262866 . 1 . . . . . 469 THR N . 51491 1
296 . 1 . 1 100 100 SER H H 1 8.399385519 0.01732871387 . 1 . . . . . 470 SER H . 51491 1
297 . 1 . 1 100 100 SER C C 13 174.2620958 0 . 1 . . . . . 470 SER C . 51491 1
298 . 1 . 1 100 100 SER CA C 13 57.96401756 0.01083641775 . 1 . . . . . 470 SER CA . 51491 1
299 . 1 . 1 100 100 SER CB C 13 64.36227344 0.03403159176 . 1 . . . . . 470 SER CB . 51491 1
300 . 1 . 1 100 100 SER N N 15 117.7488948 0.04492286551 . 1 . . . . . 470 SER N . 51491 1
301 . 1 . 1 101 101 VAL H H 1 8.259114512 0.006722196118 . 1 . . . . . 471 VAL H . 51491 1
302 . 1 . 1 101 101 VAL C C 13 176.0958983 0.0008116547248 . 1 . . . . . 471 VAL C . 51491 1
303 . 1 . 1 101 101 VAL CA C 13 62.08213166 0.01955591085 . 1 . . . . . 471 VAL CA . 51491 1
304 . 1 . 1 101 101 VAL CB C 13 33.21587637 0.01421177947 . 1 . . . . . 471 VAL CB . 51491 1
305 . 1 . 1 101 101 VAL N N 15 120.9446009 0.01003468723 . 1 . . . . . 471 VAL N . 51491 1
306 . 1 . 1 102 102 SER H H 1 8.417162044 0.01665736328 . 1 . . . . . 472 SER H . 51491 1
307 . 1 . 1 102 102 SER C C 13 174.1762053 0.00310998327 . 1 . . . . . 472 SER C . 51491 1
308 . 1 . 1 102 102 SER CA C 13 58.13288025 0.0159166598 . 1 . . . . . 472 SER CA . 51491 1
309 . 1 . 1 102 102 SER CB C 13 64.23526559 0.03724899565 . 1 . . . . . 472 SER CB . 51491 1
310 . 1 . 1 102 102 SER N N 15 118.6747674 0.06023622789 . 1 . . . . . 472 SER N . 51491 1
311 . 1 . 1 103 103 GLN H H 1 8.436283912 0.02126889832 . 1 . . . . . 473 GLN H . 51491 1
312 . 1 . 1 103 103 GLN C C 13 175.2989416 0.004196267127 . 1 . . . . . 473 GLN C . 51491 1
313 . 1 . 1 103 103 GLN CA C 13 55.26217591 0.007244214846 . 1 . . . . . 473 GLN CA . 51491 1
314 . 1 . 1 103 103 GLN CB C 13 30.04144213 0.01085806361 . 1 . . . . . 473 GLN CB . 51491 1
315 . 1 . 1 103 103 GLN N N 15 121.7616234 0.007983707651 . 1 . . . . . 473 GLN N . 51491 1
316 . 1 . 1 104 104 LEU H H 1 8.203729276 0.00568293738 . 1 . . . . . 474 LEU H . 51491 1
317 . 1 . 1 104 104 LEU C C 13 176.4147301 0.0126242108 . 1 . . . . . 474 LEU C . 51491 1
318 . 1 . 1 104 104 LEU CA C 13 54.45721945 0.0003019249144 . 1 . . . . . 474 LEU CA . 51491 1
319 . 1 . 1 104 104 LEU CB C 13 43.05196513 0.02347719748 . 1 . . . . . 474 LEU CB . 51491 1
320 . 1 . 1 104 104 LEU N N 15 122.4980662 0.01096569987 . 1 . . . . . 474 LEU N . 51491 1
321 . 1 . 1 105 105 ASP H H 1 8.33210239 0.006658740868 . 1 . . . . . 475 ASP H . 51491 1
322 . 1 . 1 105 105 ASP C C 13 175.0086481 0 . 1 . . . . . 475 ASP C . 51491 1
323 . 1 . 1 105 105 ASP CA C 13 51.68004384 0.04645304639 . 1 . . . . . 475 ASP CA . 51491 1
324 . 1 . 1 105 105 ASP CB C 13 41.92890478 0 . 1 . . . . . 475 ASP CB . 51491 1
325 . 1 . 1 105 105 ASP N N 15 122.780533 0.01683260099 . 1 . . . . . 475 ASP N . 51491 1
326 . 1 . 1 106 106 PRO C C 13 177.2291661 0 . 1 . . . . . 476 PRO C . 51491 1
327 . 1 . 1 106 106 PRO CA C 13 63.53785949 0 . 1 . . . . . 476 PRO CA . 51491 1
328 . 1 . 1 106 106 PRO CB C 13 32.65299568 0 . 1 . . . . . 476 PRO CB . 51491 1
329 . 1 . 1 107 107 ALA H H 1 8.446228231 0.009446822571 . 1 . . . . . 477 ALA H . 51491 1
330 . 1 . 1 107 107 ALA C C 13 178.1574121 0.001064560288 . 1 . . . . . 477 ALA C . 51491 1
331 . 1 . 1 107 107 ALA CA C 13 52.83710768 0.001288194977 . 1 . . . . . 477 ALA CA . 51491 1
332 . 1 . 1 107 107 ALA CB C 13 19.26777424 0.0003047291647 . 1 . . . . . 477 ALA CB . 51491 1
333 . 1 . 1 107 107 ALA N N 15 121.0926329 0.1598052028 . 1 . . . . . 477 ALA N . 51491 1
334 . 1 . 1 108 108 LEU H H 1 7.817256336 0.005146367338 . 1 . . . . . 478 LEU H . 51491 1
335 . 1 . 1 108 108 LEU C C 13 176.9137472 0.004052845217 . 1 . . . . . 478 LEU C . 51491 1
336 . 1 . 1 108 108 LEU CA C 13 54.67597155 0 . 1 . . . . . 478 LEU CA . 51491 1
337 . 1 . 1 108 108 LEU N N 15 117.8514117 0.01412411 . 1 . . . . . 478 LEU N . 51491 1
338 . 1 . 1 109 109 LEU H H 1 7.793274925 0.008217171487 . 1 . . . . . 479 LEU H . 51491 1
339 . 1 . 1 109 109 LEU C C 13 176.5232203 0.0007898519302 . 1 . . . . . 479 LEU C . 51491 1
340 . 1 . 1 109 109 LEU CA C 13 54.71575559 0.006552511799 . 1 . . . . . 479 LEU CA . 51491 1
341 . 1 . 1 109 109 LEU CB C 13 42.77307503 0 . 1 . . . . . 479 LEU CB . 51491 1
342 . 1 . 1 109 109 LEU N N 15 121.0531997 0.01413830842 . 1 . . . . . 479 LEU N . 51491 1
343 . 1 . 1 110 110 ILE H H 1 8.001369927 0.006018692892 . 1 . . . . . 480 ILE H . 51491 1
344 . 1 . 1 110 110 ILE C C 13 175.0126686 0.0006362430179 . 1 . . . . . 480 ILE C . 51491 1
345 . 1 . 1 110 110 ILE CA C 13 60.71676763 0.001215024869 . 1 . . . . . 480 ILE CA . 51491 1
346 . 1 . 1 110 110 ILE CB C 13 38.83682236 0.05535256242 . 1 . . . . . 480 ILE CB . 51491 1
347 . 1 . 1 110 110 ILE N N 15 121.9722079 0.01785123698 . 1 . . . . . 480 ILE N . 51491 1
348 . 1 . 1 111 111 ARG H H 1 8.02132548 0.004718860543 . 1 . . . . . 481 ARG H . 51491 1
349 . 1 . 1 111 111 ARG C C 13 180.59081 0 . 1 . . . . . 481 ARG C . 51491 1
350 . 1 . 1 111 111 ARG CA C 13 56.93814361 0 . 1 . . . . . 481 ARG CA . 51491 1
351 . 1 . 1 111 111 ARG CB C 13 32.20595932 0 . 1 . . . . . 481 ARG CB . 51491 1
352 . 1 . 1 111 111 ARG N N 15 130.3150936 0.0003920842645 . 1 . . . . . 481 ARG N . 51491 1
stop_
save_