data_52793
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52793
_Entry.Title
;
Low pH backbone and sidechain assignments of S64V EmrE in lipid bilayers
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2025-01-06
_Entry.Accession_date 2025-01-06
_Entry.Last_release_date 2025-01-06
_Entry.Original_release_date 2025-01-06
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solid-state
_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 'Backbone and sidechain chemical shift assignments of S64V EmrE in POPC bilayers, pH 5.8, drug free.'
_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 Benjamin Harding . D. . 0000-0002-4317-7880 52793
2 Songlin Wang . . . 0000-0002-7588-7377 52793
3 Chad Rienstra . M. . 0000-0002-9912-5596 52793
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 4 52793
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 2217 52793
'15N chemical shifts' 275 52793
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 . . 2025-04-18 2025-01-06 update author 'update assignments' 52793
1 . . 2025-03-06 2025-01-06 original author 'original release' 52793
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 52790 'Low pH backbone and methyl group (Ile CD1, Leu CD1/CD2, Val CG1/CG2, Thr CG2) assignments of S64V-EmrE, drug free' 52793
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52793
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID 39829842
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
Backbone and Sidechain 1H, 15N and 13C Resonance Assignments of a Multidrug Efflux Membrane Protein using Solution and Solid-State NMR
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Biomol. NMR Assignments'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year 2025
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Benjamin Harding . D. . . 52793 1
2 Ashley Hiett . B. . . 52793 1
3 Marco Tonelli . . . . 52793 1
4 Songlin Wang . . . . 52793 1
5 Chad Rientra . M. . . 52793 1
6 Katherine Henzler-Wildman . A. . . 52793 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52793
_Assembly.ID 1
_Assembly.Name S64V-EmrE
_Assembly.BMRB_code .
_Assembly.Number_of_components 2
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states yes
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'S64V-EmrE, Chain A' 1 $entity_1 . . yes native yes no . . . 52793 1
2 'S64V-EmrE, Chain B' 1 $entity_1 . . yes native yes no . . . 52793 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52793
_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
;
MNPYIYLGGAILAEVIGTTL
MKFSEGFTRLWPSVGTIICY
CASFWLLAQTLAYIPTGIAY
AIWVGVGIVLISLLSWGFFG
QRLDLPAIIGMMLICAGVLI
INLLSRSTPH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states yes
_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 110
_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 S64V
_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 . MET . 52793 1
2 . ASN . 52793 1
3 . PRO . 52793 1
4 . TYR . 52793 1
5 . ILE . 52793 1
6 . TYR . 52793 1
7 . LEU . 52793 1
8 . GLY . 52793 1
9 . GLY . 52793 1
10 . ALA . 52793 1
11 . ILE . 52793 1
12 . LEU . 52793 1
13 . ALA . 52793 1
14 . GLU . 52793 1
15 . VAL . 52793 1
16 . ILE . 52793 1
17 . GLY . 52793 1
18 . THR . 52793 1
19 . THR . 52793 1
20 . LEU . 52793 1
21 . MET . 52793 1
22 . LYS . 52793 1
23 . PHE . 52793 1
24 . SER . 52793 1
25 . GLU . 52793 1
26 . GLY . 52793 1
27 . PHE . 52793 1
28 . THR . 52793 1
29 . ARG . 52793 1
30 . LEU . 52793 1
31 . TRP . 52793 1
32 . PRO . 52793 1
33 . SER . 52793 1
34 . VAL . 52793 1
35 . GLY . 52793 1
36 . THR . 52793 1
37 . ILE . 52793 1
38 . ILE . 52793 1
39 . CYS . 52793 1
40 . TYR . 52793 1
41 . CYS . 52793 1
42 . ALA . 52793 1
43 . SER . 52793 1
44 . PHE . 52793 1
45 . TRP . 52793 1
46 . LEU . 52793 1
47 . LEU . 52793 1
48 . ALA . 52793 1
49 . GLN . 52793 1
50 . THR . 52793 1
51 . LEU . 52793 1
52 . ALA . 52793 1
53 . TYR . 52793 1
54 . ILE . 52793 1
55 . PRO . 52793 1
56 . THR . 52793 1
57 . GLY . 52793 1
58 . ILE . 52793 1
59 . ALA . 52793 1
60 . TYR . 52793 1
61 . ALA . 52793 1
62 . ILE . 52793 1
63 . TRP . 52793 1
64 . VAL . 52793 1
65 . GLY . 52793 1
66 . VAL . 52793 1
67 . GLY . 52793 1
68 . ILE . 52793 1
69 . VAL . 52793 1
70 . LEU . 52793 1
71 . ILE . 52793 1
72 . SER . 52793 1
73 . LEU . 52793 1
74 . LEU . 52793 1
75 . SER . 52793 1
76 . TRP . 52793 1
77 . GLY . 52793 1
78 . PHE . 52793 1
79 . PHE . 52793 1
80 . GLY . 52793 1
81 . GLN . 52793 1
82 . ARG . 52793 1
83 . LEU . 52793 1
84 . ASP . 52793 1
85 . LEU . 52793 1
86 . PRO . 52793 1
87 . ALA . 52793 1
88 . ILE . 52793 1
89 . ILE . 52793 1
90 . GLY . 52793 1
91 . MET . 52793 1
92 . MET . 52793 1
93 . LEU . 52793 1
94 . ILE . 52793 1
95 . CYS . 52793 1
96 . ALA . 52793 1
97 . GLY . 52793 1
98 . VAL . 52793 1
99 . LEU . 52793 1
100 . ILE . 52793 1
101 . ILE . 52793 1
102 . ASN . 52793 1
103 . LEU . 52793 1
104 . LEU . 52793 1
105 . SER . 52793 1
106 . ARG . 52793 1
107 . SER . 52793 1
108 . THR . 52793 1
109 . PRO . 52793 1
110 . HIS . 52793 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 52793 1
. ASN 2 2 52793 1
. PRO 3 3 52793 1
. TYR 4 4 52793 1
. ILE 5 5 52793 1
. TYR 6 6 52793 1
. LEU 7 7 52793 1
. GLY 8 8 52793 1
. GLY 9 9 52793 1
. ALA 10 10 52793 1
. ILE 11 11 52793 1
. LEU 12 12 52793 1
. ALA 13 13 52793 1
. GLU 14 14 52793 1
. VAL 15 15 52793 1
. ILE 16 16 52793 1
. GLY 17 17 52793 1
. THR 18 18 52793 1
. THR 19 19 52793 1
. LEU 20 20 52793 1
. MET 21 21 52793 1
. LYS 22 22 52793 1
. PHE 23 23 52793 1
. SER 24 24 52793 1
. GLU 25 25 52793 1
. GLY 26 26 52793 1
. PHE 27 27 52793 1
. THR 28 28 52793 1
. ARG 29 29 52793 1
. LEU 30 30 52793 1
. TRP 31 31 52793 1
. PRO 32 32 52793 1
. SER 33 33 52793 1
. VAL 34 34 52793 1
. GLY 35 35 52793 1
. THR 36 36 52793 1
. ILE 37 37 52793 1
. ILE 38 38 52793 1
. CYS 39 39 52793 1
. TYR 40 40 52793 1
. CYS 41 41 52793 1
. ALA 42 42 52793 1
. SER 43 43 52793 1
. PHE 44 44 52793 1
. TRP 45 45 52793 1
. LEU 46 46 52793 1
. LEU 47 47 52793 1
. ALA 48 48 52793 1
. GLN 49 49 52793 1
. THR 50 50 52793 1
. LEU 51 51 52793 1
. ALA 52 52 52793 1
. TYR 53 53 52793 1
. ILE 54 54 52793 1
. PRO 55 55 52793 1
. THR 56 56 52793 1
. GLY 57 57 52793 1
. ILE 58 58 52793 1
. ALA 59 59 52793 1
. TYR 60 60 52793 1
. ALA 61 61 52793 1
. ILE 62 62 52793 1
. TRP 63 63 52793 1
. VAL 64 64 52793 1
. GLY 65 65 52793 1
. VAL 66 66 52793 1
. GLY 67 67 52793 1
. ILE 68 68 52793 1
. VAL 69 69 52793 1
. LEU 70 70 52793 1
. ILE 71 71 52793 1
. SER 72 72 52793 1
. LEU 73 73 52793 1
. LEU 74 74 52793 1
. SER 75 75 52793 1
. TRP 76 76 52793 1
. GLY 77 77 52793 1
. PHE 78 78 52793 1
. PHE 79 79 52793 1
. GLY 80 80 52793 1
. GLN 81 81 52793 1
. ARG 82 82 52793 1
. LEU 83 83 52793 1
. ASP 84 84 52793 1
. LEU 85 85 52793 1
. PRO 86 86 52793 1
. ALA 87 87 52793 1
. ILE 88 88 52793 1
. ILE 89 89 52793 1
. GLY 90 90 52793 1
. MET 91 91 52793 1
. MET 92 92 52793 1
. LEU 93 93 52793 1
. ILE 94 94 52793 1
. CYS 95 95 52793 1
. ALA 96 96 52793 1
. GLY 97 97 52793 1
. VAL 98 98 52793 1
. LEU 99 99 52793 1
. ILE 100 100 52793 1
. ILE 101 101 52793 1
. ASN 102 102 52793 1
. LEU 103 103 52793 1
. LEU 104 104 52793 1
. SER 105 105 52793 1
. ARG 106 106 52793 1
. SER 107 107 52793 1
. THR 108 108 52793 1
. PRO 109 109 52793 1
. HIS 110 110 52793 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 52793
_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 . . . . . . . . . . . . . 52793 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 52793
_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 . . pET15b . . . 52793 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52793
_Sample.ID 1
_Sample.Name 'UCN S64V-EmrE'
_Sample.Type solid
_Sample.Sub_type .
_Sample.Details 'pH 5.8 in POPC liposomes'
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '100% H20'
_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 S64V-EmrE '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . '25:1 LPR' . . M . . . . 52793 1
2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 52793 1
3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52793 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 52793
_Sample.ID 2
_Sample.Name '1,3 glycerol S64V EmrE'
_Sample.Type solid
_Sample.Sub_type .
_Sample.Details 'pH 5.8 in POPC liposomes'
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '100% H20'
_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 S64V-EmrE '[1,3 glycerol; U-100% 15N]' . . 1 $entity_1 . . '25:1 LPR' . . M . . . . 52793 2
2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 52793 2
3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52793 2
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 52793
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'UCN above phase transition at 1.1 GHz'
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 5.8 . pH 52793 1
temperature 273 5 K 52793 1
stop_
save_
save_sample_conditions_2
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_2
_Sample_condition_list.Entry_ID 52793
_Sample_condition_list.ID 2
_Sample_condition_list.Name 'UCN below phase transition at 750 MHz'
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 5.8 . pH 52793 2
temperature 253 5 K 52793 2
stop_
save_
save_sample_conditions_3
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_3
_Sample_condition_list.Entry_ID 52793
_Sample_condition_list.ID 3
_Sample_condition_list.Name '1,3 glycerol above phase transition'
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 5.8 . pH 52793 3
temperature 263 5 K 52793 3
stop_
save_
save_sample_conditions_4
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_4
_Sample_condition_list.Entry_ID 52793
_Sample_condition_list.ID 4
_Sample_condition_list.Name '1,3 glycerol below phase transition'
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 5.8 . pH 52793 4
temperature 253 5 K 52793 4
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52793
_Software.ID 1
_Software.Type .
_Software.Name NMRPipe
_Software.Version 10.9
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 52793 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52793
_Software.ID 2
_Software.Type .
_Software.Name NMRFAM-SPARKY
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52793 2
'peak picking' . 52793 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 52793
_Software.ID 3
_Software.Type .
_Software.Name TOPSPIN
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 52793 3
stop_
save_
save_software_4
_Software.Sf_category software
_Software.Sf_framecode software_4
_Software.Entry_ID 52793
_Software.ID 4
_Software.Type .
_Software.Name VNMRj
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 52793 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 52793
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name Lakenvelder
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE NEO'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 1100
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 52793
_NMR_spectrometer.ID 2
_NMR_spectrometer.Name Ayrshire
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Agilent
_NMR_spectrometer.Model VNMRS
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750
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 52793
_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 DARR' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52793 1
2 '3D NCACX' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52793 1
3 '3D NCOCX' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52793 1
4 '3D CANCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52793 1
5 '3D CCC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52793 1
6 '2D DARR' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52793 1
7 '3D NCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52793 1
8 '3D CANCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52793 1
9 '2D NCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52793 1
10 '2D NCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52793 1
11 '3D NCOCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52793 1
12 '2D DARR' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52793 1
13 '3D NCOCX' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52793 1
14 '3D CCC' no . no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52793 1
15 '2D DARR' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52793 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 52793
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name 'Secondary chemical shift referencing using adamantane downfield peak at 40.48 ppm'
_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 adamantane 'methylene carbon' . . . . ppm 40.48 external direct 1 . . . . . 52793 1
N 15 adamantane 'methylene carbon' . . . . ppm 40.48 external indirect . . . . . . 52793 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 52793
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'UCN and above phase transition'
_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
6 '2D DARR' . . . 52793 1
7 '3D NCACO' . . . 52793 1
8 '3D CANCO' . . . 52793 1
9 '2D NCA' . . . 52793 1
10 '2D NCO' . . . 52793 1
11 '3D NCOCA' . . . 52793 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52793 1
2 $software_2 . . 52793 1
3 $software_3 . . 52793 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET C C 13 174.903 0.000 . 1 . . . . . 1 M C . 52793 1
2 . 1 . 1 2 2 ASN N N 15 122.334 0.000 . 1 . . . . . 2 N N . 52793 1
3 . 1 . 1 6 6 TYR C C 13 178.154 0.000 . 1 . . . . . 6 Y C . 52793 1
4 . 1 . 1 6 6 TYR N N 15 119.622 0.000 . 1 . . . . . 6 Y N . 52793 1
5 . 1 . 1 7 7 LEU C C 13 178.752 0.142 . 1 . . . . . 7 L C . 52793 1
6 . 1 . 1 7 7 LEU CA C 13 57.714 0.046 . 1 . . . . . 7 L CA . 52793 1
7 . 1 . 1 7 7 LEU N N 15 119.627 0.000 . 1 . . . . . 7 L N . 52793 1
8 . 1 . 1 8 8 GLY C C 13 175.481 0.098 . 1 . . . . . 8 G C . 52793 1
9 . 1 . 1 8 8 GLY CA C 13 47.749 0.144 . 1 . . . . . 8 G CA . 52793 1
10 . 1 . 1 8 8 GLY N N 15 106.257 0.105 . 1 . . . . . 8 G N . 52793 1
11 . 1 . 1 9 9 GLY C C 13 174.322 0.065 . 1 . . . . . 9 G C . 52793 1
12 . 1 . 1 9 9 GLY CA C 13 48.130 0.093 . 1 . . . . . 9 G CA . 52793 1
13 . 1 . 1 9 9 GLY N N 15 109.299 0.076 . 1 . . . . . 9 G N . 52793 1
14 . 1 . 1 10 10 ALA C C 13 182.227 0.029 . 1 . . . . . 10 A C . 52793 1
15 . 1 . 1 10 10 ALA CA C 13 55.642 0.063 . 1 . . . . . 10 A CA . 52793 1
16 . 1 . 1 10 10 ALA N N 15 124.568 0.091 . 1 . . . . . 10 A N . 52793 1
17 . 1 . 1 11 11 ILE CA C 13 64.305 0.000 . 1 . . . . . 11 I CA . 52793 1
18 . 1 . 1 11 11 ILE CB C 13 37.528 0.000 . 1 . . . . . 11 I CB . 52793 1
19 . 1 . 1 12 12 LEU C C 13 177.996 0.013 . 1 . . . . . 12 L C . 52793 1
20 . 1 . 1 12 12 LEU CA C 13 58.490 0.050 . 1 . . . . . 12 L CA . 52793 1
21 . 1 . 1 12 12 LEU N N 15 120.628 0.000 . 1 . . . . . 12 L N . 52793 1
22 . 1 . 1 13 13 ALA C C 13 178.865 0.084 . 1 . . . . . 13 A C . 52793 1
23 . 1 . 1 13 13 ALA CA C 13 55.894 0.114 . 1 . . . . . 13 A CA . 52793 1
24 . 1 . 1 13 13 ALA N N 15 118.947 0.081 . 1 . . . . . 13 A N . 52793 1
25 . 1 . 1 14 14 GLU C C 13 178.819 0.000 . 1 . . . . . 14 E C . 52793 1
26 . 1 . 1 14 14 GLU CA C 13 58.971 0.045 . 1 . . . . . 14 E CA . 52793 1
27 . 1 . 1 14 14 GLU N N 15 120.022 0.050 . 1 . . . . . 14 E N . 52793 1
28 . 1 . 1 15 15 VAL CA C 13 65.297 0.000 . 1 . . . . . 15 V CA . 52793 1
29 . 1 . 1 15 15 VAL N N 15 121.208 0.000 . 1 . . . . . 15 V N . 52793 1
30 . 1 . 1 17 17 GLY CA C 13 47.848 0.000 . 1 . . . . . 17 G CA . 52793 1
31 . 1 . 1 17 17 GLY N N 15 107.852 0.000 . 1 . . . . . 17 G N . 52793 1
32 . 1 . 1 18 18 THR C C 13 174.847 0.099 . 1 . . . . . 18 T C . 52793 1
33 . 1 . 1 18 18 THR CA C 13 66.391 0.181 . 1 . . . . . 18 T CA . 52793 1
34 . 1 . 1 18 18 THR CB C 13 67.148 0.041 . 1 . . . . . 18 T CB . 52793 1
35 . 1 . 1 18 18 THR N N 15 116.947 0.000 . 1 . . . . . 18 T N . 52793 1
36 . 1 . 1 19 19 THR CA C 13 66.656 0.000 . 1 . . . . . 19 T CA . 52793 1
37 . 1 . 1 19 19 THR N N 15 117.253 0.000 . 1 . . . . . 19 T N . 52793 1
38 . 1 . 1 20 20 LEU C C 13 178.445 0.000 . 1 . . . . . 20 L C . 52793 1
39 . 1 . 1 20 20 LEU CA C 13 57.788 0.000 . 1 . . . . . 20 L CA . 52793 1
40 . 1 . 1 20 20 LEU N N 15 122.198 0.000 . 1 . . . . . 20 L N . 52793 1
41 . 1 . 1 21 21 MET C C 13 181.684 0.048 . 1 . . . . . 21 M C . 52793 1
42 . 1 . 1 21 21 MET CA C 13 59.779 0.126 . 1 . . . . . 21 M CA . 52793 1
43 . 1 . 1 21 21 MET N N 15 121.629 0.046 . 1 . . . . . 21 M N . 52793 1
44 . 1 . 1 22 22 LYS C C 13 178.409 0.075 . 1 . . . . . 22 K C . 52793 1
45 . 1 . 1 22 22 LYS CA C 13 60.022 0.077 . 1 . . . . . 22 K CA . 52793 1
46 . 1 . 1 22 22 LYS CB C 13 30.512 0.013 . 1 . . . . . 22 K CB . 52793 1
47 . 1 . 1 22 22 LYS CG C 13 24.903 0.011 . 1 . . . . . 22 K CG . 52793 1
48 . 1 . 1 22 22 LYS N N 15 124.610 0.052 . 1 . . . . . 22 K N . 52793 1
49 . 1 . 1 23 23 PHE C C 13 176.091 0.062 . 1 . . . . . 23 F C . 52793 1
50 . 1 . 1 23 23 PHE CA C 13 59.757 0.156 . 1 . . . . . 23 F CA . 52793 1
51 . 1 . 1 23 23 PHE CB C 13 38.831 0.033 . 1 . . . . . 23 F CB . 52793 1
52 . 1 . 1 23 23 PHE CG C 13 131.898 0.033 . 1 . . . . . 23 F CG . 52793 1
53 . 1 . 1 23 23 PHE CD1 C 13 129.164 0.000 . 1 . . . . . 23 F CD1 . 52793 1
54 . 1 . 1 23 23 PHE CD2 C 13 129.170 0.000 . 1 . . . . . 23 F CD2 . 52793 1
55 . 1 . 1 23 23 PHE N N 15 118.829 0.039 . 1 . . . . . 23 F N . 52793 1
56 . 1 . 1 24 24 SER C C 13 173.405 0.084 . 1 . . . . . 24 S C . 52793 1
57 . 1 . 1 24 24 SER CA C 13 60.865 0.054 . 1 . . . . . 24 S CA . 52793 1
58 . 1 . 1 24 24 SER CB C 13 63.892 0.001 . 1 . . . . . 24 S CB . 52793 1
59 . 1 . 1 24 24 SER N N 15 113.208 0.115 . 1 . . . . . 24 S N . 52793 1
60 . 1 . 1 25 25 GLU C C 13 178.140 0.067 . 1 . . . . . 25 E C . 52793 1
61 . 1 . 1 25 25 GLU CA C 13 56.111 0.176 . 1 . . . . . 25 E CA . 52793 1
62 . 1 . 1 25 25 GLU N N 15 121.035 0.047 . 1 . . . . . 25 E N . 52793 1
63 . 1 . 1 26 26 GLY C C 13 175.148 0.070 . 1 . . . . . 26 G C . 52793 1
64 . 1 . 1 26 26 GLY CA C 13 47.263 0.127 . 1 . . . . . 26 G CA . 52793 1
65 . 1 . 1 26 26 GLY N N 15 112.906 0.070 . 1 . . . . . 26 G N . 52793 1
66 . 1 . 1 27 27 PHE C C 13 173.722 0.077 . 1 . . . . . 27 F C . 52793 1
67 . 1 . 1 27 27 PHE CA C 13 60.500 0.045 . 1 . . . . . 27 F CA . 52793 1
68 . 1 . 1 27 27 PHE N N 15 112.505 0.070 . 1 . . . . . 27 F N . 52793 1
69 . 1 . 1 28 28 THR C C 13 174.847 0.087 . 1 . . . . . 28 T C . 52793 1
70 . 1 . 1 28 28 THR CA C 13 62.001 0.058 . 1 . . . . . 28 T CA . 52793 1
71 . 1 . 1 28 28 THR CB C 13 70.888 0.025 . 1 . . . . . 28 T CB . 52793 1
72 . 1 . 1 28 28 THR CG2 C 13 21.506 0.011 . 1 . . . . . 28 T CG2 . 52793 1
73 . 1 . 1 28 28 THR N N 15 101.861 0.069 . 1 . . . . . 28 T N . 52793 1
74 . 1 . 1 29 29 ARG C C 13 178.117 0.044 . 1 . . . . . 29 R C . 52793 1
75 . 1 . 1 29 29 ARG CA C 13 54.131 0.043 . 1 . . . . . 29 R CA . 52793 1
76 . 1 . 1 29 29 ARG CB C 13 30.466 0.000 . 1 . . . . . 29 R CB . 52793 1
77 . 1 . 1 29 29 ARG N N 15 119.108 0.145 . 1 . . . . . 29 R N . 52793 1
78 . 1 . 1 30 30 LEU CA C 13 59.927 0.000 . 1 . . . . . 30 L CA . 52793 1
79 . 1 . 1 30 30 LEU N N 15 131.218 0.100 . 1 . . . . . 30 L N . 52793 1
80 . 1 . 1 33 33 SER C C 13 175.147 0.029 . 1 . . . . . 33 S C . 52793 1
81 . 1 . 1 33 33 SER CA C 13 63.583 0.000 . 1 . . . . . 33 S CA . 52793 1
82 . 1 . 1 34 34 VAL C C 13 178.168 0.082 . 1 . . . . . 34 V C . 52793 1
83 . 1 . 1 34 34 VAL CA C 13 67.038 0.072 . 1 . . . . . 34 V CA . 52793 1
84 . 1 . 1 34 34 VAL N N 15 122.172 0.009 . 1 . . . . . 34 V N . 52793 1
85 . 1 . 1 35 35 GLY C C 13 174.477 0.047 . 1 . . . . . 35 G C . 52793 1
86 . 1 . 1 35 35 GLY CA C 13 48.319 0.063 . 1 . . . . . 35 G CA . 52793 1
87 . 1 . 1 35 35 GLY N N 15 103.826 0.059 . 1 . . . . . 35 G N . 52793 1
88 . 1 . 1 36 36 THR C C 13 174.884 0.032 . 1 . . . . . 36 T C . 52793 1
89 . 1 . 1 36 36 THR CA C 13 68.770 0.090 . 1 . . . . . 36 T CA . 52793 1
90 . 1 . 1 36 36 THR CB C 13 68.896 0.000 . 1 . . . . . 36 T CB . 52793 1
91 . 1 . 1 36 36 THR N N 15 120.956 0.022 . 1 . . . . . 36 T N . 52793 1
92 . 1 . 1 37 37 ILE C C 13 178.214 0.000 . 1 . . . . . 37 I C . 52793 1
93 . 1 . 1 37 37 ILE CA C 13 64.955 0.000 . 1 . . . . . 37 I CA . 52793 1
94 . 1 . 1 38 38 ILE C C 13 177.443 0.099 . 1 . . . . . 38 I C . 52793 1
95 . 1 . 1 38 38 ILE CA C 13 65.736 0.040 . 1 . . . . . 38 I CA . 52793 1
96 . 1 . 1 38 38 ILE N N 15 119.069 0.000 . 1 . . . . . 38 I N . 52793 1
97 . 1 . 1 39 39 CYS C C 13 177.486 0.000 . 1 . . . . . 39 C C . 52793 1
98 . 1 . 1 39 39 CYS CA C 13 65.648 0.022 . 1 . . . . . 39 C CA . 52793 1
99 . 1 . 1 39 39 CYS N N 15 115.150 0.063 . 1 . . . . . 39 C N . 52793 1
100 . 1 . 1 41 41 CYS C C 13 176.344 0.051 . 1 . . . . . 41 C C . 52793 1
101 . 1 . 1 41 41 CYS CA C 13 64.823 0.125 . 1 . . . . . 41 C CA . 52793 1
102 . 1 . 1 42 42 ALA C C 13 178.438 0.127 . 1 . . . . . 42 A C . 52793 1
103 . 1 . 1 42 42 ALA CA C 13 55.249 0.112 . 1 . . . . . 42 A CA . 52793 1
104 . 1 . 1 42 42 ALA N N 15 119.850 0.136 . 1 . . . . . 42 A N . 52793 1
105 . 1 . 1 43 43 SER CA C 13 63.452 0.016 . 1 . . . . . 43 S CA . 52793 1
106 . 1 . 1 43 43 SER N N 15 111.119 0.065 . 1 . . . . . 43 S N . 52793 1
107 . 1 . 1 44 44 PHE C C 13 177.170 0.074 . 1 . . . . . 44 F C . 52793 1
108 . 1 . 1 44 44 PHE CA C 13 60.180 0.000 . 1 . . . . . 44 F CA . 52793 1
109 . 1 . 1 45 45 TRP CA C 13 62.287 0.045 . 1 . . . . . 45 W CA . 52793 1
110 . 1 . 1 45 45 TRP N N 15 120.988 0.078 . 1 . . . . . 45 W N . 52793 1
111 . 1 . 1 46 46 LEU CA C 13 57.761 0.000 . 1 . . . . . 46 L CA . 52793 1
112 . 1 . 1 46 46 LEU CB C 13 40.703 0.000 . 1 . . . . . 46 L CB . 52793 1
113 . 1 . 1 48 48 ALA CA C 13 55.000 0.061 . 1 . . . . . 48 A CA . 52793 1
114 . 1 . 1 48 48 ALA N N 15 121.070 0.092 . 1 . . . . . 48 A N . 52793 1
115 . 1 . 1 49 49 GLN C C 13 180.284 0.024 . 1 . . . . . 49 Q C . 52793 1
116 . 1 . 1 49 49 GLN CA C 13 55.804 0.136 . 1 . . . . . 49 Q CA . 52793 1
117 . 1 . 1 49 49 GLN CB C 13 26.683 0.009 . 1 . . . . . 49 Q CB . 52793 1
118 . 1 . 1 49 49 GLN CG C 13 31.434 0.002 . 1 . . . . . 49 Q CG . 52793 1
119 . 1 . 1 49 49 GLN CD C 13 179.569 0.000 . 1 . . . . . 49 Q CD . 52793 1
120 . 1 . 1 49 49 GLN N N 15 114.160 0.042 . 1 . . . . . 49 Q N . 52793 1
121 . 1 . 1 51 51 LEU C C 13 176.795 0.045 . 1 . . . . . 51 L C . 52793 1
122 . 1 . 1 51 51 LEU CA C 13 55.610 0.000 . 1 . . . . . 51 L CA . 52793 1
123 . 1 . 1 51 51 LEU N N 15 120.139 0.000 . 1 . . . . . 51 L N . 52793 1
124 . 1 . 1 52 52 ALA C C 13 177.232 0.035 . 1 . . . . . 52 A C . 52793 1
125 . 1 . 1 52 52 ALA CA C 13 52.828 0.083 . 1 . . . . . 52 A CA . 52793 1
126 . 1 . 1 52 52 ALA CB C 13 17.770 0.033 . 1 . . . . . 52 A CB . 52793 1
127 . 1 . 1 52 52 ALA N N 15 119.754 0.026 . 1 . . . . . 52 A N . 52793 1
128 . 1 . 1 53 53 TYR C C 13 174.346 0.022 . 1 . . . . . 53 Y C . 52793 1
129 . 1 . 1 53 53 TYR CA C 13 58.275 0.016 . 1 . . . . . 53 Y CA . 52793 1
130 . 1 . 1 53 53 TYR N N 15 113.086 0.065 . 1 . . . . . 53 Y N . 52793 1
131 . 1 . 1 55 55 PRO C C 13 177.831 0.000 . 1 . . . . . 55 P C . 52793 1
132 . 1 . 1 55 55 PRO CB C 13 32.993 0.062 . 1 . . . . . 55 P CB . 52793 1
133 . 1 . 1 55 55 PRO CG C 13 28.752 0.000 . 1 . . . . . 55 P CG . 52793 1
134 . 1 . 1 56 56 THR CA C 13 65.990 0.000 . 1 . . . . . 56 T CA . 52793 1
135 . 1 . 1 56 56 THR N N 15 118.258 0.000 . 1 . . . . . 56 T N . 52793 1
136 . 1 . 1 58 58 ILE C C 13 176.659 0.000 . 1 . . . . . 58 I C . 52793 1
137 . 1 . 1 58 58 ILE CA C 13 64.208 0.000 . 1 . . . . . 58 I CA . 52793 1
138 . 1 . 1 58 58 ILE N N 15 119.625 0.000 . 1 . . . . . 58 I N . 52793 1
139 . 1 . 1 59 59 ALA CA C 13 55.959 0.010 . 1 . . . . . 59 A CA . 52793 1
140 . 1 . 1 59 59 ALA N N 15 121.632 0.011 . 1 . . . . . 59 A N . 52793 1
141 . 1 . 1 61 61 ALA C C 13 179.916 0.000 . 1 . . . . . 61 A C . 52793 1
142 . 1 . 1 61 61 ALA CA C 13 55.333 0.032 . 1 . . . . . 61 A CA . 52793 1
143 . 1 . 1 61 61 ALA N N 15 119.818 0.026 . 1 . . . . . 61 A N . 52793 1
144 . 1 . 1 62 62 ILE C C 13 176.939 0.019 . 1 . . . . . 62 I C . 52793 1
145 . 1 . 1 62 62 ILE N N 15 115.933 0.000 . 1 . . . . . 62 I N . 52793 1
146 . 1 . 1 63 63 TRP C C 13 180.705 0.016 . 1 . . . . . 63 W C . 52793 1
147 . 1 . 1 63 63 TRP CA C 13 61.515 0.042 . 1 . . . . . 63 W CA . 52793 1
148 . 1 . 1 63 63 TRP N N 15 121.293 0.037 . 1 . . . . . 63 W N . 52793 1
149 . 1 . 1 64 64 VAL C C 13 177.510 0.000 . 1 . . . . . 64 V C . 52793 1
150 . 1 . 1 64 64 VAL CB C 13 31.330 0.000 . 1 . . . . . 64 V CB . 52793 1
151 . 1 . 1 65 65 GLY C C 13 174.697 0.015 . 1 . . . . . 65 G C . 52793 1
152 . 1 . 1 66 66 VAL C C 13 178.214 0.030 . 1 . . . . . 66 V C . 52793 1
153 . 1 . 1 66 66 VAL CA C 13 66.481 0.091 . 1 . . . . . 66 V CA . 52793 1
154 . 1 . 1 66 66 VAL CB C 13 29.209 0.000 . 1 . . . . . 66 V CB . 52793 1
155 . 1 . 1 66 66 VAL N N 15 117.951 0.074 . 1 . . . . . 66 V N . 52793 1
156 . 1 . 1 67 67 GLY C C 13 174.385 0.060 . 1 . . . . . 67 G C . 52793 1
157 . 1 . 1 67 67 GLY CA C 13 47.506 0.087 . 1 . . . . . 67 G CA . 52793 1
158 . 1 . 1 67 67 GLY N N 15 105.654 0.042 . 1 . . . . . 67 G N . 52793 1
159 . 1 . 1 68 68 ILE N N 15 121.080 0.026 . 1 . . . . . 68 I N . 52793 1
160 . 1 . 1 69 69 VAL C C 13 177.381 0.000 . 1 . . . . . 69 V C . 52793 1
161 . 1 . 1 69 69 VAL CB C 13 31.148 0.000 . 1 . . . . . 69 V CB . 52793 1
162 . 1 . 1 70 70 LEU CA C 13 58.102 0.119 . 1 . . . . . 70 L CA . 52793 1
163 . 1 . 1 70 70 LEU CB C 13 41.303 0.000 . 1 . . . . . 70 L CB . 52793 1
164 . 1 . 1 70 70 LEU N N 15 118.361 0.000 . 1 . . . . . 70 L N . 52793 1
165 . 1 . 1 72 72 SER C C 13 176.554 0.004 . 1 . . . . . 72 S C . 52793 1
166 . 1 . 1 72 72 SER CA C 13 62.995 0.063 . 1 . . . . . 72 S CA . 52793 1
167 . 1 . 1 72 72 SER N N 15 118.585 0.000 . 1 . . . . . 72 S N . 52793 1
168 . 1 . 1 73 73 LEU CA C 13 58.418 0.000 . 1 . . . . . 73 L CA . 52793 1
169 . 1 . 1 73 73 LEU N N 15 123.839 0.000 . 1 . . . . . 73 L N . 52793 1
170 . 1 . 1 74 74 LEU N N 15 120.823 0.021 . 1 . . . . . 74 L N . 52793 1
171 . 1 . 1 76 76 TRP CA C 13 59.157 0.000 . 1 . . . . . 76 W CA . 52793 1
172 . 1 . 1 76 76 TRP N N 15 125.120 0.000 . 1 . . . . . 76 W N . 52793 1
173 . 1 . 1 79 79 PHE C C 13 176.541 0.040 . 1 . . . . . 79 F C . 52793 1
174 . 1 . 1 79 79 PHE CA C 13 55.508 0.119 . 1 . . . . . 79 F CA . 52793 1
175 . 1 . 1 79 79 PHE N N 15 111.971 0.093 . 1 . . . . . 79 F N . 52793 1
176 . 1 . 1 80 80 GLY C C 13 175.168 0.000 . 1 . . . . . 80 G C . 52793 1
177 . 1 . 1 80 80 GLY CA C 13 46.281 0.000 . 1 . . . . . 80 G CA . 52793 1
178 . 1 . 1 82 82 ARG C C 13 175.234 0.002 . 1 . . . . . 82 R C . 52793 1
179 . 1 . 1 82 82 ARG CA C 13 55.312 0.000 . 1 . . . . . 82 R CA . 52793 1
180 . 1 . 1 83 83 LEU C C 13 174.872 0.065 . 1 . . . . . 83 L C . 52793 1
181 . 1 . 1 83 83 LEU CA C 13 53.011 0.000 . 1 . . . . . 83 L CA . 52793 1
182 . 1 . 1 83 83 LEU N N 15 122.502 0.000 . 1 . . . . . 83 L N . 52793 1
183 . 1 . 1 84 84 ASP C C 13 175.146 0.071 . 1 . . . . . 84 D C . 52793 1
184 . 1 . 1 84 84 ASP CA C 13 51.082 0.035 . 1 . . . . . 84 D CA . 52793 1
185 . 1 . 1 84 84 ASP CB C 13 41.566 0.035 . 1 . . . . . 84 D CB . 52793 1
186 . 1 . 1 84 84 ASP CG C 13 180.534 0.054 . 1 . . . . . 84 D CG . 52793 1
187 . 1 . 1 84 84 ASP N N 15 118.957 0.092 . 1 . . . . . 84 D N . 52793 1
188 . 1 . 1 85 85 LEU CA C 13 59.498 0.025 . 1 . . . . . 85 L CA . 52793 1
189 . 1 . 1 85 85 LEU N N 15 117.416 0.026 . 1 . . . . . 85 L N . 52793 1
190 . 1 . 1 86 86 PRO C C 13 177.673 0.001 . 1 . . . . . 86 P C . 52793 1
191 . 1 . 1 86 86 PRO CA C 13 66.183 0.166 . 1 . . . . . 86 P CA . 52793 1
192 . 1 . 1 86 86 PRO N N 15 119.494 0.000 . 1 . . . . . 86 P N . 52793 1
193 . 1 . 1 87 87 ALA C C 13 179.636 0.000 . 1 . . . . . 87 A C . 52793 1
194 . 1 . 1 88 88 ILE C C 13 177.856 0.037 . 1 . . . . . 88 I C . 52793 1
195 . 1 . 1 88 88 ILE CA C 13 65.634 0.138 . 1 . . . . . 88 I CA . 52793 1
196 . 1 . 1 88 88 ILE N N 15 118.198 0.141 . 1 . . . . . 88 I N . 52793 1
197 . 1 . 1 89 89 ILE N N 15 119.119 0.022 . 1 . . . . . 89 I N . 52793 1
198 . 1 . 1 90 90 GLY C C 13 178.072 0.040 . 1 . . . . . 90 G C . 52793 1
199 . 1 . 1 90 90 GLY CA C 13 47.921 0.118 . 1 . . . . . 90 G CA . 52793 1
200 . 1 . 1 90 90 GLY N N 15 107.885 0.056 . 1 . . . . . 90 G N . 52793 1
201 . 1 . 1 91 91 MET C C 13 178.518 0.027 . 1 . . . . . 91 M C . 52793 1
202 . 1 . 1 91 91 MET CA C 13 60.175 0.038 . 1 . . . . . 91 M CA . 52793 1
203 . 1 . 1 91 91 MET CB C 13 32.813 0.025 . 1 . . . . . 91 M CB . 52793 1
204 . 1 . 1 91 91 MET N N 15 119.779 0.094 . 1 . . . . . 91 M N . 52793 1
205 . 1 . 1 92 92 MET C C 13 178.133 0.058 . 1 . . . . . 92 M C . 52793 1
206 . 1 . 1 92 92 MET CA C 13 59.185 0.129 . 1 . . . . . 92 M CA . 52793 1
207 . 1 . 1 92 92 MET N N 15 120.083 0.000 . 1 . . . . . 92 M N . 52793 1
208 . 1 . 1 93 93 LEU C C 13 178.092 0.012 . 1 . . . . . 93 L C . 52793 1
209 . 1 . 1 93 93 LEU CA C 13 58.481 0.031 . 1 . . . . . 93 L CA . 52793 1
210 . 1 . 1 93 93 LEU N N 15 120.516 0.114 . 1 . . . . . 93 L N . 52793 1
211 . 1 . 1 94 94 ILE C C 13 177.741 0.028 . 1 . . . . . 94 I C . 52793 1
212 . 1 . 1 94 94 ILE CA C 13 65.888 0.067 . 1 . . . . . 94 I CA . 52793 1
213 . 1 . 1 94 94 ILE N N 15 117.952 0.041 . 1 . . . . . 94 I N . 52793 1
214 . 1 . 1 95 95 CYS C C 13 176.428 0.059 . 1 . . . . . 95 C C . 52793 1
215 . 1 . 1 95 95 CYS CA C 13 65.137 0.111 . 1 . . . . . 95 C CA . 52793 1
216 . 1 . 1 95 95 CYS N N 15 116.164 0.102 . 1 . . . . . 95 C N . 52793 1
217 . 1 . 1 96 96 ALA C C 13 178.840 0.102 . 1 . . . . . 96 A C . 52793 1
218 . 1 . 1 96 96 ALA CA C 13 55.269 0.061 . 1 . . . . . 96 A CA . 52793 1
219 . 1 . 1 96 96 ALA N N 15 119.760 0.049 . 1 . . . . . 96 A N . 52793 1
220 . 1 . 1 97 97 GLY C C 13 175.208 0.014 . 1 . . . . . 97 G C . 52793 1
221 . 1 . 1 97 97 GLY CA C 13 49.030 0.176 . 1 . . . . . 97 G CA . 52793 1
222 . 1 . 1 97 97 GLY N N 15 105.523 0.094 . 1 . . . . . 97 G N . 52793 1
223 . 1 . 1 98 98 VAL N N 15 120.720 0.000 . 1 . . . . . 98 V N . 52793 1
224 . 1 . 1 99 99 LEU C C 13 178.177 0.000 . 1 . . . . . 99 L C . 52793 1
225 . 1 . 1 99 99 LEU CA C 13 58.568 0.004 . 1 . . . . . 99 L CA . 52793 1
226 . 1 . 1 99 99 LEU N N 15 120.572 0.000 . 1 . . . . . 99 L N . 52793 1
227 . 1 . 1 100 100 ILE C C 13 177.673 0.001 . 1 . . . . . 100 I C . 52793 1
228 . 1 . 1 100 100 ILE CA C 13 66.021 0.041 . 1 . . . . . 100 I CA . 52793 1
229 . 1 . 1 100 100 ILE CB C 13 37.338 0.000 . 1 . . . . . 100 I CB . 52793 1
230 . 1 . 1 100 100 ILE N N 15 119.395 0.000 . 1 . . . . . 100 I N . 52793 1
231 . 1 . 1 101 101 ILE C C 13 176.935 0.000 . 1 . . . . . 101 I C . 52793 1
232 . 1 . 1 101 101 ILE CA C 13 65.745 0.000 . 1 . . . . . 101 I CA . 52793 1
233 . 1 . 1 101 101 ILE CB C 13 38.255 0.000 . 1 . . . . . 101 I CB . 52793 1
234 . 1 . 1 101 101 ILE N N 15 117.517 0.000 . 1 . . . . . 101 I N . 52793 1
235 . 1 . 1 104 104 LEU C C 13 177.173 0.033 . 1 . . . . . 104 L C . 52793 1
236 . 1 . 1 104 104 LEU CA C 13 54.470 0.000 . 1 . . . . . 104 L CA . 52793 1
237 . 1 . 1 105 105 SER CA C 13 58.732 0.043 . 1 . . . . . 105 S CA . 52793 1
238 . 1 . 1 105 105 SER N N 15 112.491 0.033 . 1 . . . . . 105 S N . 52793 1
239 . 1 . 1 106 106 ARG C C 13 176.913 0.000 . 1 . . . . . 106 R C . 52793 1
240 . 1 . 1 106 106 ARG CA C 13 55.980 0.000 . 1 . . . . . 106 R CA . 52793 1
241 . 1 . 1 106 106 ARG N N 15 126.721 0.000 . 1 . . . . . 106 R N . 52793 1
242 . 1 . 1 107 107 SER CA C 13 58.155 0.038 . 1 . . . . . 107 S CA . 52793 1
243 . 1 . 1 107 107 SER N N 15 116.696 0.018 . 1 . . . . . 107 S N . 52793 1
244 . 1 . 1 108 108 THR CA C 13 59.267 0.000 . 1 . . . . . 108 T CA . 52793 1
245 . 1 . 1 108 108 THR N N 15 117.447 0.000 . 1 . . . . . 108 T N . 52793 1
246 . 1 . 1 109 109 PRO CA C 13 64.585 0.008 . 1 . . . . . 109 P CA . 52793 1
247 . 1 . 1 110 110 HIS C C 13 174.901 0.018 . 1 . . . . . 110 H C . 52793 1
248 . 2 . 1 1 1 MET C C 13 174.894 0.000 . 1 . . . . . 1 M C . 52793 1
249 . 2 . 1 2 2 ASN N N 15 121.573 0.000 . 1 . . . . . 2 N N . 52793 1
250 . 2 . 1 5 5 ILE CA C 13 64.221 0.020 . 1 . . . . . 5 I CA . 52793 1
251 . 2 . 1 5 5 ILE N N 15 121.129 0.075 . 1 . . . . . 5 I N . 52793 1
252 . 2 . 1 6 6 TYR C C 13 178.173 0.051 . 1 . . . . . 6 Y C . 52793 1
253 . 2 . 1 6 6 TYR CB C 13 36.982 0.008 . 1 . . . . . 6 Y CB . 52793 1
254 . 2 . 1 7 7 LEU C C 13 178.652 0.063 . 1 . . . . . 7 L C . 52793 1
255 . 2 . 1 7 7 LEU CA C 13 57.796 0.092 . 1 . . . . . 7 L CA . 52793 1
256 . 2 . 1 7 7 LEU CB C 13 41.303 0.000 . 1 . . . . . 7 L CB . 52793 1
257 . 2 . 1 7 7 LEU N N 15 119.596 0.025 . 1 . . . . . 7 L N . 52793 1
258 . 2 . 1 8 8 GLY C C 13 175.491 0.078 . 1 . . . . . 8 G C . 52793 1
259 . 2 . 1 8 8 GLY CA C 13 47.745 0.066 . 1 . . . . . 8 G CA . 52793 1
260 . 2 . 1 8 8 GLY N N 15 106.180 0.063 . 1 . . . . . 8 G N . 52793 1
261 . 2 . 1 9 9 GLY C C 13 174.356 0.077 . 1 . . . . . 9 G C . 52793 1
262 . 2 . 1 9 9 GLY CA C 13 48.193 0.061 . 1 . . . . . 9 G CA . 52793 1
263 . 2 . 1 9 9 GLY N N 15 109.311 0.053 . 1 . . . . . 9 G N . 52793 1
264 . 2 . 1 10 10 ALA C C 13 182.217 0.060 . 1 . . . . . 10 A C . 52793 1
265 . 2 . 1 10 10 ALA CA C 13 55.645 0.076 . 1 . . . . . 10 A CA . 52793 1
266 . 2 . 1 10 10 ALA N N 15 124.613 0.103 . 1 . . . . . 10 A N . 52793 1
267 . 2 . 1 11 11 ILE C C 13 176.773 0.096 . 1 . . . . . 11 I C . 52793 1
268 . 2 . 1 11 11 ILE CA C 13 64.685 0.019 . 1 . . . . . 11 I CA . 52793 1
269 . 2 . 1 11 11 ILE N N 15 123.072 0.015 . 1 . . . . . 11 I N . 52793 1
270 . 2 . 1 12 12 LEU C C 13 178.574 0.131 . 1 . . . . . 12 L C . 52793 1
271 . 2 . 1 12 12 LEU CA C 13 58.082 0.181 . 1 . . . . . 12 L CA . 52793 1
272 . 2 . 1 12 12 LEU N N 15 120.781 0.058 . 1 . . . . . 12 L N . 52793 1
273 . 2 . 1 13 13 ALA C C 13 178.668 0.078 . 1 . . . . . 13 A C . 52793 1
274 . 2 . 1 13 13 ALA CA C 13 55.436 0.025 . 1 . . . . . 13 A CA . 52793 1
275 . 2 . 1 13 13 ALA N N 15 119.032 0.035 . 1 . . . . . 13 A N . 52793 1
276 . 2 . 1 14 14 GLU CA C 13 58.462 0.000 . 1 . . . . . 14 E CA . 52793 1
277 . 2 . 1 14 14 GLU N N 15 119.477 0.025 . 1 . . . . . 14 E N . 52793 1
278 . 2 . 1 17 17 GLY C C 13 174.423 0.000 . 1 . . . . . 17 G C . 52793 1
279 . 2 . 1 17 17 GLY CA C 13 47.725 0.000 . 1 . . . . . 17 G CA . 52793 1
280 . 2 . 1 18 18 THR CA C 13 66.166 0.006 . 1 . . . . . 18 T CA . 52793 1
281 . 2 . 1 18 18 THR CB C 13 68.710 0.000 . 1 . . . . . 18 T CB . 52793 1
282 . 2 . 1 18 18 THR N N 15 118.610 0.000 . 1 . . . . . 18 T N . 52793 1
283 . 2 . 1 19 19 THR C C 13 176.082 0.021 . 1 . . . . . 19 T C . 52793 1
284 . 2 . 1 19 19 THR CA C 13 67.267 0.000 . 1 . . . . . 19 T CA . 52793 1
285 . 2 . 1 19 19 THR CB C 13 67.980 0.084 . 1 . . . . . 19 T CB . 52793 1
286 . 2 . 1 19 19 THR N N 15 119.435 0.000 . 1 . . . . . 19 T N . 52793 1
287 . 2 . 1 20 20 LEU C C 13 178.690 0.041 . 1 . . . . . 20 L C . 52793 1
288 . 2 . 1 20 20 LEU CA C 13 58.140 0.174 . 1 . . . . . 20 L CA . 52793 1
289 . 2 . 1 20 20 LEU N N 15 120.822 0.000 . 1 . . . . . 20 L N . 52793 1
290 . 2 . 1 21 21 MET C C 13 181.113 0.033 . 1 . . . . . 21 M C . 52793 1
291 . 2 . 1 21 21 MET CA C 13 59.376 0.058 . 1 . . . . . 21 M CA . 52793 1
292 . 2 . 1 21 21 MET N N 15 121.362 0.071 . 1 . . . . . 21 M N . 52793 1
293 . 2 . 1 22 22 LYS C C 13 178.377 0.022 . 1 . . . . . 22 K C . 52793 1
294 . 2 . 1 22 22 LYS CA C 13 59.205 0.000 . 1 . . . . . 22 K CA . 52793 1
295 . 2 . 1 22 22 LYS N N 15 122.287 0.019 . 1 . . . . . 22 K N . 52793 1
296 . 2 . 1 23 23 PHE CA C 13 58.696 0.186 . 1 . . . . . 23 F CA . 52793 1
297 . 2 . 1 23 23 PHE N N 15 118.778 0.008 . 1 . . . . . 23 F N . 52793 1
298 . 2 . 1 25 25 GLU C C 13 177.965 0.061 . 1 . . . . . 25 E C . 52793 1
299 . 2 . 1 25 25 GLU CA C 13 55.969 0.002 . 1 . . . . . 25 E CA . 52793 1
300 . 2 . 1 26 26 GLY C C 13 175.108 0.082 . 1 . . . . . 26 G C . 52793 1
301 . 2 . 1 26 26 GLY CA C 13 46.203 0.079 . 1 . . . . . 26 G CA . 52793 1
302 . 2 . 1 26 26 GLY N N 15 112.500 0.081 . 1 . . . . . 26 G N . 52793 1
303 . 2 . 1 27 27 PHE C C 13 173.795 0.023 . 1 . . . . . 27 F C . 52793 1
304 . 2 . 1 27 27 PHE N N 15 112.493 0.068 . 1 . . . . . 27 F N . 52793 1
305 . 2 . 1 28 28 THR C C 13 174.882 0.055 . 1 . . . . . 28 T C . 52793 1
306 . 2 . 1 28 28 THR CA C 13 62.014 0.038 . 1 . . . . . 28 T CA . 52793 1
307 . 2 . 1 28 28 THR CB C 13 70.878 0.003 . 1 . . . . . 28 T CB . 52793 1
308 . 2 . 1 28 28 THR CG2 C 13 21.506 0.011 . 1 . . . . . 28 T CG2 . 52793 1
309 . 2 . 1 28 28 THR N N 15 101.850 0.041 . 1 . . . . . 28 T N . 52793 1
310 . 2 . 1 29 29 ARG C C 13 178.053 0.014 . 1 . . . . . 29 R C . 52793 1
311 . 2 . 1 29 29 ARG CA C 13 54.195 0.000 . 1 . . . . . 29 R CA . 52793 1
312 . 2 . 1 29 29 ARG CB C 13 30.241 0.000 . 1 . . . . . 29 R CB . 52793 1
313 . 2 . 1 30 30 LEU CA C 13 60.265 0.058 . 1 . . . . . 30 L CA . 52793 1
314 . 2 . 1 30 30 LEU CB C 13 41.876 0.031 . 1 . . . . . 30 L CB . 52793 1
315 . 2 . 1 30 30 LEU CG C 13 27.784 0.035 . 1 . . . . . 30 L CG . 52793 1
316 . 2 . 1 30 30 LEU CD1 C 13 25.777 0.000 . 2 . . . . . 30 L CD1 . 52793 1
317 . 2 . 1 30 30 LEU CD2 C 13 24.593 0.000 . 2 . . . . . 30 L CD2 . 52793 1
318 . 2 . 1 30 30 LEU N N 15 131.412 0.000 . 1 . . . . . 30 L N . 52793 1
319 . 2 . 1 31 31 TRP C C 13 177.085 0.023 . 1 . . . . . 31 W C . 52793 1
320 . 2 . 1 31 31 TRP CA C 13 61.802 0.000 . 1 . . . . . 31 W CA . 52793 1
321 . 2 . 1 31 31 TRP N N 15 119.054 0.000 . 1 . . . . . 31 W N . 52793 1
322 . 2 . 1 32 32 PRO C C 13 179.825 0.052 . 1 . . . . . 32 P C . 52793 1
323 . 2 . 1 32 32 PRO CA C 13 65.496 0.000 . 1 . . . . . 32 P CA . 52793 1
324 . 2 . 1 33 33 SER C C 13 174.981 0.053 . 1 . . . . . 33 S C . 52793 1
325 . 2 . 1 33 33 SER CA C 13 64.665 0.104 . 1 . . . . . 33 S CA . 52793 1
326 . 2 . 1 33 33 SER N N 15 115.971 0.025 . 1 . . . . . 33 S N . 52793 1
327 . 2 . 1 34 34 VAL C C 13 178.139 0.057 . 1 . . . . . 34 V C . 52793 1
328 . 2 . 1 34 34 VAL CA C 13 66.987 0.073 . 1 . . . . . 34 V CA . 52793 1
329 . 2 . 1 34 34 VAL N N 15 121.706 0.000 . 1 . . . . . 34 V N . 52793 1
330 . 2 . 1 35 35 GLY C C 13 174.483 0.049 . 1 . . . . . 35 G C . 52793 1
331 . 2 . 1 35 35 GLY CA C 13 48.347 0.089 . 1 . . . . . 35 G CA . 52793 1
332 . 2 . 1 35 35 GLY N N 15 103.813 0.053 . 1 . . . . . 35 G N . 52793 1
333 . 2 . 1 36 36 THR C C 13 175.843 0.000 . 1 . . . . . 36 T C . 52793 1
334 . 2 . 1 36 36 THR CA C 13 68.879 0.067 . 1 . . . . . 36 T CA . 52793 1
335 . 2 . 1 36 36 THR N N 15 120.929 0.003 . 1 . . . . . 36 T N . 52793 1
336 . 2 . 1 37 37 ILE C C 13 178.320 0.000 . 1 . . . . . 37 I C . 52793 1
337 . 2 . 1 37 37 ILE CA C 13 65.262 0.181 . 1 . . . . . 37 I CA . 52793 1
338 . 2 . 1 37 37 ILE CB C 13 36.980 0.000 . 1 . . . . . 37 I CB . 52793 1
339 . 2 . 1 37 37 ILE N N 15 119.587 0.000 . 1 . . . . . 37 I N . 52793 1
340 . 2 . 1 38 38 ILE C C 13 177.745 0.000 . 1 . . . . . 38 I C . 52793 1
341 . 2 . 1 38 38 ILE CA C 13 65.766 0.000 . 1 . . . . . 38 I CA . 52793 1
342 . 2 . 1 38 38 ILE N N 15 117.435 0.000 . 1 . . . . . 38 I N . 52793 1
343 . 2 . 1 39 39 CYS CA C 13 65.456 0.107 . 1 . . . . . 39 C CA . 52793 1
344 . 2 . 1 39 39 CYS N N 15 115.968 0.072 . 1 . . . . . 39 C N . 52793 1
345 . 2 . 1 40 40 TYR C C 13 178.273 0.005 . 1 . . . . . 40 Y C . 52793 1
346 . 2 . 1 41 41 CYS C C 13 176.489 0.014 . 1 . . . . . 41 C C . 52793 1
347 . 2 . 1 41 41 CYS CA C 13 65.148 0.108 . 1 . . . . . 41 C CA . 52793 1
348 . 2 . 1 41 41 CYS N N 15 118.795 0.043 . 1 . . . . . 41 C N . 52793 1
349 . 2 . 1 42 42 ALA C C 13 178.506 0.057 . 1 . . . . . 42 A C . 52793 1
350 . 2 . 1 42 42 ALA CA C 13 55.349 0.053 . 1 . . . . . 42 A CA . 52793 1
351 . 2 . 1 42 42 ALA N N 15 119.716 0.034 . 1 . . . . . 42 A N . 52793 1
352 . 2 . 1 43 43 SER C C 13 177.023 0.141 . 1 . . . . . 43 S C . 52793 1
353 . 2 . 1 43 43 SER CA C 13 63.222 0.082 . 1 . . . . . 43 S CA . 52793 1
354 . 2 . 1 43 43 SER N N 15 111.863 0.081 . 1 . . . . . 43 S N . 52793 1
355 . 2 . 1 44 44 PHE C C 13 177.652 0.000 . 1 . . . . . 44 F C . 52793 1
356 . 2 . 1 44 44 PHE N N 15 116.747 0.000 . 1 . . . . . 44 F N . 52793 1
357 . 2 . 1 45 45 TRP C C 13 179.093 0.066 . 1 . . . . . 45 W C . 52793 1
358 . 2 . 1 45 45 TRP CA C 13 63.194 0.000 . 1 . . . . . 45 W CA . 52793 1
359 . 2 . 1 45 45 TRP N N 15 120.735 0.026 . 1 . . . . . 45 W N . 52793 1
360 . 2 . 1 46 46 LEU C C 13 179.187 0.012 . 1 . . . . . 46 L C . 52793 1
361 . 2 . 1 46 46 LEU CA C 13 58.489 0.082 . 1 . . . . . 46 L CA . 52793 1
362 . 2 . 1 46 46 LEU CB C 13 40.897 0.000 . 1 . . . . . 46 L CB . 52793 1
363 . 2 . 1 46 46 LEU N N 15 118.646 0.052 . 1 . . . . . 46 L N . 52793 1
364 . 2 . 1 47 47 LEU C C 13 180.307 0.053 . 1 . . . . . 47 L C . 52793 1
365 . 2 . 1 47 47 LEU CA C 13 57.427 0.046 . 1 . . . . . 47 L CA . 52793 1
366 . 2 . 1 47 47 LEU N N 15 120.731 0.016 . 1 . . . . . 47 L N . 52793 1
367 . 2 . 1 48 48 ALA C C 13 180.311 0.031 . 1 . . . . . 48 A C . 52793 1
368 . 2 . 1 48 48 ALA CA C 13 55.003 0.060 . 1 . . . . . 48 A CA . 52793 1
369 . 2 . 1 48 48 ALA N N 15 121.072 0.069 . 1 . . . . . 48 A N . 52793 1
370 . 2 . 1 49 49 GLN C C 13 177.236 0.092 . 1 . . . . . 49 Q C . 52793 1
371 . 2 . 1 49 49 GLN CA C 13 55.786 0.122 . 1 . . . . . 49 Q CA . 52793 1
372 . 2 . 1 49 49 GLN CB C 13 26.683 0.009 . 1 . . . . . 49 Q CB . 52793 1
373 . 2 . 1 49 49 GLN CG C 13 31.591 0.147 . 1 . . . . . 49 Q CG . 52793 1
374 . 2 . 1 49 49 GLN CD C 13 179.569 0.000 . 1 . . . . . 49 Q CD . 52793 1
375 . 2 . 1 49 49 GLN N N 15 114.144 0.033 . 1 . . . . . 49 Q N . 52793 1
376 . 2 . 1 50 50 THR C C 13 177.278 0.040 . 1 . . . . . 50 T C . 52793 1
377 . 2 . 1 50 50 THR CA C 13 63.926 0.061 . 1 . . . . . 50 T CA . 52793 1
378 . 2 . 1 50 50 THR CB C 13 69.858 0.046 . 1 . . . . . 50 T CB . 52793 1
379 . 2 . 1 50 50 THR CG2 C 13 23.260 0.010 . 1 . . . . . 50 T CG2 . 52793 1
380 . 2 . 1 50 50 THR N N 15 105.791 0.109 . 1 . . . . . 50 T N . 52793 1
381 . 2 . 1 51 51 LEU C C 13 177.013 0.122 . 1 . . . . . 51 L C . 52793 1
382 . 2 . 1 51 51 LEU CA C 13 55.924 0.033 . 1 . . . . . 51 L CA . 52793 1
383 . 2 . 1 51 51 LEU N N 15 117.634 0.055 . 1 . . . . . 51 L N . 52793 1
384 . 2 . 1 52 52 ALA C C 13 177.228 0.018 . 1 . . . . . 52 A C . 52793 1
385 . 2 . 1 52 52 ALA CA C 13 53.330 0.000 . 1 . . . . . 52 A CA . 52793 1
386 . 2 . 1 52 52 ALA CB C 13 17.814 0.035 . 1 . . . . . 52 A CB . 52793 1
387 . 2 . 1 53 53 TYR C C 13 174.322 0.001 . 1 . . . . . 53 Y C . 52793 1
388 . 2 . 1 53 53 TYR CA C 13 58.406 0.112 . 1 . . . . . 53 Y CA . 52793 1
389 . 2 . 1 53 53 TYR CB C 13 41.466 0.054 . 1 . . . . . 53 Y CB . 52793 1
390 . 2 . 1 53 53 TYR N N 15 113.169 0.035 . 1 . . . . . 53 Y N . 52793 1
391 . 2 . 1 54 54 ILE CA C 13 57.594 0.000 . 1 . . . . . 54 I CA . 52793 1
392 . 2 . 1 54 54 ILE N N 15 119.506 0.000 . 1 . . . . . 54 I N . 52793 1
393 . 2 . 1 55 55 PRO C C 13 176.679 0.074 . 1 . . . . . 55 P C . 52793 1
394 . 2 . 1 55 55 PRO CA C 13 63.285 0.072 . 1 . . . . . 55 P CA . 52793 1
395 . 2 . 1 55 55 PRO CB C 13 32.961 0.036 . 1 . . . . . 55 P CB . 52793 1
396 . 2 . 1 55 55 PRO CG C 13 28.108 0.012 . 1 . . . . . 55 P CG . 52793 1
397 . 2 . 1 55 55 PRO CD C 13 51.407 0.000 . 1 . . . . . 55 P CD . 52793 1
398 . 2 . 1 56 56 THR C C 13 175.870 0.054 . 1 . . . . . 56 T C . 52793 1
399 . 2 . 1 56 56 THR CA C 13 67.157 0.034 . 1 . . . . . 56 T CA . 52793 1
400 . 2 . 1 56 56 THR CB C 13 68.952 0.021 . 1 . . . . . 56 T CB . 52793 1
401 . 2 . 1 56 56 THR N N 15 123.915 0.081 . 1 . . . . . 56 T N . 52793 1
402 . 2 . 1 57 57 GLY C C 13 175.247 0.095 . 1 . . . . . 57 G C . 52793 1
403 . 2 . 1 57 57 GLY CA C 13 47.106 0.090 . 1 . . . . . 57 G CA . 52793 1
404 . 2 . 1 57 57 GLY N N 15 106.766 0.027 . 1 . . . . . 57 G N . 52793 1
405 . 2 . 1 58 58 ILE C C 13 176.605 0.057 . 1 . . . . . 58 I C . 52793 1
406 . 2 . 1 58 58 ILE CA C 13 64.418 0.058 . 1 . . . . . 58 I CA . 52793 1
407 . 2 . 1 58 58 ILE N N 15 117.657 0.097 . 1 . . . . . 58 I N . 52793 1
408 . 2 . 1 59 59 ALA C C 13 178.837 0.062 . 1 . . . . . 59 A C . 52793 1
409 . 2 . 1 59 59 ALA CA C 13 55.856 0.051 . 1 . . . . . 59 A CA . 52793 1
410 . 2 . 1 59 59 ALA N N 15 121.559 0.034 . 1 . . . . . 59 A N . 52793 1
411 . 2 . 1 60 60 TYR C C 13 176.781 0.062 . 1 . . . . . 60 Y C . 52793 1
412 . 2 . 1 60 60 TYR CA C 13 63.047 0.072 . 1 . . . . . 60 Y CA . 52793 1
413 . 2 . 1 60 60 TYR N N 15 115.345 0.076 . 1 . . . . . 60 Y N . 52793 1
414 . 2 . 1 61 61 ALA CA C 13 55.534 0.000 . 1 . . . . . 61 A CA . 52793 1
415 . 2 . 1 61 61 ALA N N 15 118.679 0.000 . 1 . . . . . 61 A N . 52793 1
416 . 2 . 1 64 64 VAL C C 13 178.004 0.000 . 1 . . . . . 64 V C . 52793 1
417 . 2 . 1 65 65 GLY C C 13 175.156 0.022 . 1 . . . . . 65 G C . 52793 1
418 . 2 . 1 65 65 GLY N N 15 108.127 0.000 . 1 . . . . . 65 G N . 52793 1
419 . 2 . 1 66 66 VAL C C 13 177.946 0.028 . 1 . . . . . 66 V C . 52793 1
420 . 2 . 1 66 66 VAL CA C 13 66.739 0.071 . 1 . . . . . 66 V CA . 52793 1
421 . 2 . 1 66 66 VAL N N 15 120.413 0.026 . 1 . . . . . 66 V N . 52793 1
422 . 2 . 1 67 67 GLY C C 13 174.397 0.067 . 1 . . . . . 67 G C . 52793 1
423 . 2 . 1 67 67 GLY CA C 13 47.565 0.111 . 1 . . . . . 67 G CA . 52793 1
424 . 2 . 1 67 67 GLY N N 15 105.623 0.079 . 1 . . . . . 67 G N . 52793 1
425 . 2 . 1 68 68 ILE CA C 13 64.945 0.000 . 1 . . . . . 68 I CA . 52793 1
426 . 2 . 1 68 68 ILE N N 15 120.792 0.079 . 1 . . . . . 68 I N . 52793 1
427 . 2 . 1 69 69 VAL C C 13 177.540 0.069 . 1 . . . . . 69 V C . 52793 1
428 . 2 . 1 69 69 VAL CA C 13 67.182 0.053 . 1 . . . . . 69 V CA . 52793 1
429 . 2 . 1 69 69 VAL N N 15 122.373 0.000 . 1 . . . . . 69 V N . 52793 1
430 . 2 . 1 70 70 LEU CA C 13 58.096 0.003 . 1 . . . . . 70 L CA . 52793 1
431 . 2 . 1 70 70 LEU N N 15 117.366 0.063 . 1 . . . . . 70 L N . 52793 1
432 . 2 . 1 71 71 ILE C C 13 178.603 0.000 . 1 . . . . . 71 I C . 52793 1
433 . 2 . 1 72 72 SER N N 15 119.104 0.000 . 1 . . . . . 72 S N . 52793 1
434 . 2 . 1 73 73 LEU CA C 13 57.864 0.051 . 1 . . . . . 73 L CA . 52793 1
435 . 2 . 1 73 73 LEU CB C 13 41.344 0.029 . 1 . . . . . 73 L CB . 52793 1
436 . 2 . 1 73 73 LEU CG C 13 27.799 0.000 . 1 . . . . . 73 L CG . 52793 1
437 . 2 . 1 73 73 LEU N N 15 121.426 0.000 . 1 . . . . . 73 L N . 52793 1
438 . 2 . 1 74 74 LEU C C 13 179.124 0.000 . 1 . . . . . 74 L C . 52793 1
439 . 2 . 1 74 74 LEU CA C 13 57.836 0.069 . 1 . . . . . 74 L CA . 52793 1
440 . 2 . 1 74 74 LEU CB C 13 41.303 0.000 . 1 . . . . . 74 L CB . 52793 1
441 . 2 . 1 74 74 LEU N N 15 120.343 0.000 . 1 . . . . . 74 L N . 52793 1
442 . 2 . 1 75 75 SER CA C 13 62.449 0.020 . 1 . . . . . 75 S CA . 52793 1
443 . 2 . 1 75 75 SER N N 15 116.962 0.037 . 1 . . . . . 75 S N . 52793 1
444 . 2 . 1 76 76 TRP CA C 13 58.632 0.000 . 1 . . . . . 76 W CA . 52793 1
445 . 2 . 1 76 76 TRP N N 15 123.869 0.000 . 1 . . . . . 76 W N . 52793 1
446 . 2 . 1 79 79 PHE C C 13 176.959 0.033 . 1 . . . . . 79 F C . 52793 1
447 . 2 . 1 79 79 PHE CA C 13 56.784 0.086 . 1 . . . . . 79 F CA . 52793 1
448 . 2 . 1 79 79 PHE N N 15 114.126 0.000 . 1 . . . . . 79 F N . 52793 1
449 . 2 . 1 81 81 GLN CA C 13 55.352 0.000 . 1 . . . . . 81 Q CA . 52793 1
450 . 2 . 1 81 81 GLN N N 15 120.628 0.000 . 1 . . . . . 81 Q N . 52793 1
451 . 2 . 1 84 84 ASP C C 13 174.939 0.103 . 1 . . . . . 84 D C . 52793 1
452 . 2 . 1 84 84 ASP CA C 13 51.029 0.051 . 1 . . . . . 84 D CA . 52793 1
453 . 2 . 1 84 84 ASP CB C 13 42.356 0.036 . 1 . . . . . 84 D CB . 52793 1
454 . 2 . 1 84 84 ASP CG C 13 180.445 0.055 . 1 . . . . . 84 D CG . 52793 1
455 . 2 . 1 84 84 ASP N N 15 120.294 0.000 . 1 . . . . . 84 D N . 52793 1
456 . 2 . 1 85 85 LEU C C 13 175.742 0.049 . 1 . . . . . 85 L C . 52793 1
457 . 2 . 1 85 85 LEU CA C 13 59.643 0.056 . 1 . . . . . 85 L CA . 52793 1
458 . 2 . 1 85 85 LEU N N 15 118.680 0.136 . 1 . . . . . 85 L N . 52793 1
459 . 2 . 1 86 86 PRO C C 13 177.746 0.000 . 1 . . . . . 86 P C . 52793 1
460 . 2 . 1 87 87 ALA C C 13 179.538 0.000 . 1 . . . . . 87 A C . 52793 1
461 . 2 . 1 87 87 ALA N N 15 117.911 0.000 . 1 . . . . . 87 A N . 52793 1
462 . 2 . 1 88 88 ILE CA C 13 65.034 0.094 . 1 . . . . . 88 I CA . 52793 1
463 . 2 . 1 88 88 ILE CB C 13 37.002 0.022 . 1 . . . . . 88 I CB . 52793 1
464 . 2 . 1 88 88 ILE N N 15 117.738 0.187 . 1 . . . . . 88 I N . 52793 1
465 . 2 . 1 90 90 GLY C C 13 175.461 0.117 . 1 . . . . . 90 G C . 52793 1
466 . 2 . 1 90 90 GLY CA C 13 48.006 0.056 . 1 . . . . . 90 G CA . 52793 1
467 . 2 . 1 90 90 GLY N N 15 107.777 0.109 . 1 . . . . . 90 G N . 52793 1
468 . 2 . 1 91 91 MET C C 13 178.516 0.073 . 1 . . . . . 91 M C . 52793 1
469 . 2 . 1 91 91 MET CA C 13 60.182 0.043 . 1 . . . . . 91 M CA . 52793 1
470 . 2 . 1 91 91 MET CB C 13 34.167 0.001 . 1 . . . . . 91 M CB . 52793 1
471 . 2 . 1 91 91 MET N N 15 119.866 0.155 . 1 . . . . . 91 M N . 52793 1
472 . 2 . 1 92 92 MET CA C 13 59.299 0.000 . 1 . . . . . 92 M CA . 52793 1
473 . 2 . 1 92 92 MET CB C 13 31.841 0.000 . 1 . . . . . 92 M CB . 52793 1
474 . 2 . 1 95 95 CYS C C 13 176.186 0.043 . 1 . . . . . 95 C C . 52793 1
475 . 2 . 1 95 95 CYS CA C 13 64.675 0.036 . 1 . . . . . 95 C CA . 52793 1
476 . 2 . 1 95 95 CYS N N 15 115.592 0.135 . 1 . . . . . 95 C N . 52793 1
477 . 2 . 1 96 96 ALA CA C 13 55.329 0.000 . 1 . . . . . 96 A CA . 52793 1
478 . 2 . 1 96 96 ALA N N 15 119.754 0.000 . 1 . . . . . 96 A N . 52793 1
479 . 2 . 1 97 97 GLY C C 13 174.739 0.060 . 1 . . . . . 97 G C . 52793 1
480 . 2 . 1 97 97 GLY CA C 13 49.092 0.063 . 1 . . . . . 97 G CA . 52793 1
481 . 2 . 1 97 97 GLY N N 15 105.461 0.000 . 1 . . . . . 97 G N . 52793 1
482 . 2 . 1 98 98 VAL CA C 13 67.253 0.000 . 1 . . . . . 98 V CA . 52793 1
483 . 2 . 1 98 98 VAL N N 15 120.105 0.065 . 1 . . . . . 98 V N . 52793 1
484 . 2 . 1 100 100 ILE C C 13 178.183 0.056 . 1 . . . . . 100 I C . 52793 1
485 . 2 . 1 100 100 ILE CA C 13 65.235 0.170 . 1 . . . . . 100 I CA . 52793 1
486 . 2 . 1 100 100 ILE N N 15 119.157 0.000 . 1 . . . . . 100 I N . 52793 1
487 . 2 . 1 101 101 ILE C C 13 177.673 0.001 . 1 . . . . . 101 I C . 52793 1
488 . 2 . 1 101 101 ILE CA C 13 66.029 0.046 . 1 . . . . . 101 I CA . 52793 1
489 . 2 . 1 101 101 ILE N N 15 117.924 0.053 . 1 . . . . . 101 I N . 52793 1
490 . 2 . 1 102 102 ASN CA C 13 56.712 0.000 . 1 . . . . . 102 N CA . 52793 1
491 . 2 . 1 102 102 ASN N N 15 114.944 0.000 . 1 . . . . . 102 N N . 52793 1
492 . 2 . 1 104 104 LEU C C 13 177.195 0.000 . 1 . . . . . 104 L C . 52793 1
493 . 2 . 1 104 104 LEU CA C 13 54.627 0.000 . 1 . . . . . 104 L CA . 52793 1
494 . 2 . 1 106 106 ARG CA C 13 54.460 0.000 . 1 . . . . . 106 R CA . 52793 1
495 . 2 . 1 106 106 ARG N N 15 128.693 0.000 . 1 . . . . . 106 R N . 52793 1
496 . 2 . 1 107 107 SER CA C 13 59.551 0.000 . 1 . . . . . 107 S CA . 52793 1
497 . 2 . 1 107 107 SER N N 15 117.540 0.000 . 1 . . . . . 107 S N . 52793 1
stop_
save_
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52793
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'UCN and below phase transition'
_Assigned_chem_shift_list.Sample_condition_list_ID 4
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4
_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 DARR' . . . 52793 2
2 '3D NCACX' . . . 52793 2
3 '3D NCOCX' . . . 52793 2
4 '3D CANCO' . . . 52793 2
5 '3D CCC' . . . 52793 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52793 2
2 $software_2 . . 52793 2
4 $software_4 . . 52793 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET C C 13 175.010 0.047 . 1 . . . . . 1 M C . 52793 2
2 . 1 . 1 1 1 MET CA C 13 54.250 0.048 . 1 . . . . . 1 M CA . 52793 2
3 . 1 . 1 1 1 MET CB C 13 31.877 0.063 . 1 . . . . . 1 M CB . 52793 2
4 . 1 . 1 2 2 ASN C C 13 174.791 0.143 . 1 . . . . . 2 N C . 52793 2
5 . 1 . 1 2 2 ASN CB C 13 38.870 0.033 . 1 . . . . . 2 N CB . 52793 2
6 . 1 . 1 3 3 PRO C C 13 177.659 0.058 . 1 . . . . . 3 P C . 52793 2
7 . 1 . 1 3 3 PRO CB C 13 30.990 0.034 . 1 . . . . . 3 P CB . 52793 2
8 . 1 . 1 5 5 ILE C C 13 178.323 0.000 . 1 . . . . . 5 I C . 52793 2
9 . 1 . 1 5 5 ILE CA C 13 64.234 0.068 . 1 . . . . . 5 I CA . 52793 2
10 . 1 . 1 5 5 ILE CG1 C 13 28.676 0.100 . 1 . . . . . 5 I CG1 . 52793 2
11 . 1 . 1 5 5 ILE CG2 C 13 18.397 0.100 . 1 . . . . . 5 I CG2 . 52793 2
12 . 1 . 1 5 5 ILE CD1 C 13 13.264 0.042 . 1 . . . . . 5 I CD1 . 52793 2
13 . 1 . 1 6 6 TYR CB C 13 38.326 0.041 . 1 . . . . . 6 Y CB . 52793 2
14 . 1 . 1 6 6 TYR CG C 13 130.260 0.001 . 1 . . . . . 6 Y CG . 52793 2
15 . 1 . 1 7 7 LEU C C 13 179.085 0.134 . 1 . . . . . 7 L C . 52793 2
16 . 1 . 1 7 7 LEU CA C 13 57.513 0.136 . 1 . . . . . 7 L CA . 52793 2
17 . 1 . 1 7 7 LEU CB C 13 40.502 0.065 . 1 . . . . . 7 L CB . 52793 2
18 . 1 . 1 7 7 LEU CD1 C 13 25.030 0.046 . 2 . . . . . 7 L CD1 . 52793 2
19 . 1 . 1 7 7 LEU CD2 C 13 24.513 0.043 . 2 . . . . . 7 L CD2 . 52793 2
20 . 1 . 1 8 8 GLY C C 13 175.590 0.093 . 1 . . . . . 8 G C . 52793 2
21 . 1 . 1 8 8 GLY CA C 13 47.958 0.046 . 1 . . . . . 8 G CA . 52793 2
22 . 1 . 1 8 8 GLY N N 15 106.259 0.000 . 1 . . . . . 8 G N . 52793 2
23 . 1 . 1 9 9 GLY C C 13 174.423 0.175 . 1 . . . . . 9 G C . 52793 2
24 . 1 . 1 9 9 GLY CA C 13 48.374 0.117 . 1 . . . . . 9 G CA . 52793 2
25 . 1 . 1 9 9 GLY N N 15 109.514 0.060 . 1 . . . . . 9 G N . 52793 2
26 . 1 . 1 10 10 ALA C C 13 182.170 0.101 . 1 . . . . . 10 A C . 52793 2
27 . 1 . 1 10 10 ALA CA C 13 55.731 0.093 . 1 . . . . . 10 A CA . 52793 2
28 . 1 . 1 10 10 ALA CB C 13 18.679 0.167 . 1 . . . . . 10 A CB . 52793 2
29 . 1 . 1 10 10 ALA N N 15 124.661 0.089 . 1 . . . . . 10 A N . 52793 2
30 . 1 . 1 11 11 ILE C C 13 177.322 0.149 . 1 . . . . . 11 I C . 52793 2
31 . 1 . 1 11 11 ILE CA C 13 64.697 0.106 . 1 . . . . . 11 I CA . 52793 2
32 . 1 . 1 11 11 ILE CB C 13 38.413 0.109 . 1 . . . . . 11 I CB . 52793 2
33 . 1 . 1 11 11 ILE CG1 C 13 27.264 0.062 . 1 . . . . . 11 I CG1 . 52793 2
34 . 1 . 1 11 11 ILE CG2 C 13 17.922 0.145 . 1 . . . . . 11 I CG2 . 52793 2
35 . 1 . 1 11 11 ILE CD1 C 13 15.652 0.133 . 1 . . . . . 11 I CD1 . 52793 2
36 . 1 . 1 11 11 ILE N N 15 123.090 0.081 . 1 . . . . . 11 I N . 52793 2
37 . 1 . 1 12 12 LEU CA C 13 58.637 0.171 . 1 . . . . . 12 L CA . 52793 2
38 . 1 . 1 12 12 LEU CB C 13 41.155 0.096 . 1 . . . . . 12 L CB . 52793 2
39 . 1 . 1 12 12 LEU CG C 13 27.535 0.031 . 1 . . . . . 12 L CG . 52793 2
40 . 1 . 1 12 12 LEU CD1 C 13 24.148 0.144 . 2 . . . . . 12 L CD1 . 52793 2
41 . 1 . 1 12 12 LEU CD2 C 13 24.771 0.000 . 2 . . . . . 12 L CD2 . 52793 2
42 . 1 . 1 12 12 LEU N N 15 120.521 0.059 . 1 . . . . . 12 L N . 52793 2
43 . 1 . 1 13 13 ALA C C 13 178.396 0.121 . 1 . . . . . 13 A C . 52793 2
44 . 1 . 1 13 13 ALA CA C 13 55.373 0.083 . 1 . . . . . 13 A CA . 52793 2
45 . 1 . 1 13 13 ALA CB C 13 18.060 0.090 . 1 . . . . . 13 A CB . 52793 2
46 . 1 . 1 14 14 GLU C C 13 178.564 0.082 . 1 . . . . . 14 E C . 52793 2
47 . 1 . 1 14 14 GLU CA C 13 58.562 0.048 . 1 . . . . . 14 E CA . 52793 2
48 . 1 . 1 14 14 GLU CB C 13 26.936 0.146 . 1 . . . . . 14 E CB . 52793 2
49 . 1 . 1 14 14 GLU CG C 13 36.462 0.066 . 1 . . . . . 14 E CG . 52793 2
50 . 1 . 1 16 16 ILE C C 13 177.755 0.059 . 1 . . . . . 16 I C . 52793 2
51 . 1 . 1 16 16 ILE CA C 13 65.049 0.125 . 1 . . . . . 16 I CA . 52793 2
52 . 1 . 1 16 16 ILE CB C 13 37.740 0.098 . 1 . . . . . 16 I CB . 52793 2
53 . 1 . 1 16 16 ILE CG1 C 13 29.318 0.109 . 1 . . . . . 16 I CG1 . 52793 2
54 . 1 . 1 16 16 ILE CG2 C 13 17.658 0.130 . 1 . . . . . 16 I CG2 . 52793 2
55 . 1 . 1 16 16 ILE CD1 C 13 13.089 0.127 . 1 . . . . . 16 I CD1 . 52793 2
56 . 1 . 1 17 17 GLY CA C 13 48.024 0.160 . 1 . . . . . 17 G CA . 52793 2
57 . 1 . 1 17 17 GLY N N 15 107.266 0.072 . 1 . . . . . 17 G N . 52793 2
58 . 1 . 1 18 18 THR C C 13 174.960 0.014 . 1 . . . . . 18 T C . 52793 2
59 . 1 . 1 18 18 THR CA C 13 65.969 0.099 . 1 . . . . . 18 T CA . 52793 2
60 . 1 . 1 18 18 THR CB C 13 67.596 0.158 . 1 . . . . . 18 T CB . 52793 2
61 . 1 . 1 18 18 THR CG2 C 13 21.612 0.042 . 1 . . . . . 18 T CG2 . 52793 2
62 . 1 . 1 19 19 THR C C 13 176.878 0.078 . 1 . . . . . 19 T C . 52793 2
63 . 1 . 1 19 19 THR CA C 13 67.514 0.104 . 1 . . . . . 19 T CA . 52793 2
64 . 1 . 1 19 19 THR CB C 13 68.504 0.100 . 1 . . . . . 19 T CB . 52793 2
65 . 1 . 1 19 19 THR CG2 C 13 21.515 0.084 . 1 . . . . . 19 T CG2 . 52793 2
66 . 1 . 1 20 20 LEU CA C 13 57.362 0.119 . 1 . . . . . 20 L CA . 52793 2
67 . 1 . 1 20 20 LEU CG C 13 26.808 0.091 . 1 . . . . . 20 L CG . 52793 2
68 . 1 . 1 20 20 LEU CD2 C 13 22.637 0.046 . 2 . . . . . 20 L CD2 . 52793 2
69 . 1 . 1 21 21 MET C C 13 181.671 0.092 . 1 . . . . . 21 M C . 52793 2
70 . 1 . 1 21 21 MET CA C 13 59.526 0.101 . 1 . . . . . 21 M CA . 52793 2
71 . 1 . 1 21 21 MET CB C 13 31.934 0.095 . 1 . . . . . 21 M CB . 52793 2
72 . 1 . 1 21 21 MET CG C 13 32.059 0.107 . 1 . . . . . 21 M CG . 52793 2
73 . 1 . 1 22 22 LYS C C 13 178.144 0.114 . 1 . . . . . 22 K C . 52793 2
74 . 1 . 1 22 22 LYS CA C 13 59.606 0.087 . 1 . . . . . 22 K CA . 52793 2
75 . 1 . 1 22 22 LYS CB C 13 30.734 0.137 . 1 . . . . . 22 K CB . 52793 2
76 . 1 . 1 22 22 LYS CG C 13 24.100 0.092 . 1 . . . . . 22 K CG . 52793 2
77 . 1 . 1 22 22 LYS CE C 13 42.123 0.092 . 1 . . . . . 22 K CE . 52793 2
78 . 1 . 1 23 23 PHE CA C 13 59.718 0.174 . 1 . . . . . 23 F CA . 52793 2
79 . 1 . 1 23 23 PHE CB C 13 38.580 0.078 . 1 . . . . . 23 F CB . 52793 2
80 . 1 . 1 23 23 PHE CD1 C 13 132.050 0.015 . 1 . . . . . 23 F CD1 . 52793 2
81 . 1 . 1 24 24 SER C C 13 173.522 0.079 . 1 . . . . . 24 S C . 52793 2
82 . 1 . 1 24 24 SER CA C 13 60.742 0.133 . 1 . . . . . 24 S CA . 52793 2
83 . 1 . 1 24 24 SER CB C 13 63.995 0.047 . 1 . . . . . 24 S CB . 52793 2
84 . 1 . 1 25 25 GLU C C 13 178.150 0.074 . 1 . . . . . 25 E C . 52793 2
85 . 1 . 1 25 25 GLU CA C 13 56.095 0.096 . 1 . . . . . 25 E CA . 52793 2
86 . 1 . 1 25 25 GLU CB C 13 26.455 0.172 . 1 . . . . . 25 E CB . 52793 2
87 . 1 . 1 25 25 GLU CG C 13 36.055 0.134 . 1 . . . . . 25 E CG . 52793 2
88 . 1 . 1 25 25 GLU CD C 13 183.969 0.044 . 1 . . . . . 25 E CD . 52793 2
89 . 1 . 1 25 25 GLU N N 15 121.276 0.079 . 1 . . . . . 25 E N . 52793 2
90 . 1 . 1 26 26 GLY C C 13 175.349 0.048 . 1 . . . . . 26 G C . 52793 2
91 . 1 . 1 26 26 GLY CA C 13 46.467 0.109 . 1 . . . . . 26 G CA . 52793 2
92 . 1 . 1 26 26 GLY N N 15 113.011 0.081 . 1 . . . . . 26 G N . 52793 2
93 . 1 . 1 27 27 PHE C C 13 173.901 0.074 . 1 . . . . . 27 F C . 52793 2
94 . 1 . 1 27 27 PHE CA C 13 59.472 0.000 . 1 . . . . . 27 F CA . 52793 2
95 . 1 . 1 27 27 PHE CB C 13 37.150 0.065 . 1 . . . . . 27 F CB . 52793 2
96 . 1 . 1 28 28 THR C C 13 174.859 0.115 . 1 . . . . . 28 T C . 52793 2
97 . 1 . 1 28 28 THR CA C 13 62.079 0.103 . 1 . . . . . 28 T CA . 52793 2
98 . 1 . 1 28 28 THR CB C 13 70.816 0.101 . 1 . . . . . 28 T CB . 52793 2
99 . 1 . 1 28 28 THR CG2 C 13 21.643 0.103 . 1 . . . . . 28 T CG2 . 52793 2
100 . 1 . 1 28 28 THR N N 15 101.998 0.108 . 1 . . . . . 28 T N . 52793 2
101 . 1 . 1 29 29 ARG C C 13 178.086 0.143 . 1 . . . . . 29 R C . 52793 2
102 . 1 . 1 29 29 ARG CA C 13 54.218 0.080 . 1 . . . . . 29 R CA . 52793 2
103 . 1 . 1 29 29 ARG CB C 13 31.449 0.068 . 1 . . . . . 29 R CB . 52793 2
104 . 1 . 1 29 29 ARG CD C 13 43.265 0.150 . 1 . . . . . 29 R CD . 52793 2
105 . 1 . 1 29 29 ARG N N 15 118.768 0.050 . 1 . . . . . 29 R N . 52793 2
106 . 1 . 1 30 30 LEU C C 13 177.290 0.083 . 1 . . . . . 30 L C . 52793 2
107 . 1 . 1 30 30 LEU CA C 13 60.124 0.164 . 1 . . . . . 30 L CA . 52793 2
108 . 1 . 1 30 30 LEU CB C 13 42.118 0.172 . 1 . . . . . 30 L CB . 52793 2
109 . 1 . 1 30 30 LEU CG C 13 26.566 0.160 . 1 . . . . . 30 L CG . 52793 2
110 . 1 . 1 30 30 LEU CD1 C 13 23.164 0.081 . 2 . . . . . 30 L CD1 . 52793 2
111 . 1 . 1 30 30 LEU CD2 C 13 22.809 0.110 . 2 . . . . . 30 L CD2 . 52793 2
112 . 1 . 1 30 30 LEU N N 15 131.481 0.082 . 1 . . . . . 30 L N . 52793 2
113 . 1 . 1 31 31 TRP C C 13 176.222 0.021 . 1 . . . . . 31 W C . 52793 2
114 . 1 . 1 31 31 TRP CB C 13 27.236 0.023 . 1 . . . . . 31 W CB . 52793 2
115 . 1 . 1 31 31 TRP CG C 13 111.320 0.000 . 1 . . . . . 31 W CG . 52793 2
116 . 1 . 1 32 32 PRO C C 13 177.690 0.044 . 1 . . . . . 32 P C . 52793 2
117 . 1 . 1 32 32 PRO CA C 13 65.773 0.119 . 1 . . . . . 32 P CA . 52793 2
118 . 1 . 1 32 32 PRO CB C 13 31.491 0.091 . 1 . . . . . 32 P CB . 52793 2
119 . 1 . 1 32 32 PRO CG C 13 28.832 0.137 . 1 . . . . . 32 P CG . 52793 2
120 . 1 . 1 32 32 PRO CD C 13 50.185 0.104 . 1 . . . . . 32 P CD . 52793 2
121 . 1 . 1 33 33 SER C C 13 174.921 0.051 . 1 . . . . . 33 S C . 52793 2
122 . 1 . 1 33 33 SER CA C 13 62.663 0.081 . 1 . . . . . 33 S CA . 52793 2
123 . 1 . 1 33 33 SER CB C 13 61.766 0.000 . 1 . . . . . 33 S CB . 52793 2
124 . 1 . 1 34 34 VAL C C 13 178.419 0.068 . 1 . . . . . 34 V C . 52793 2
125 . 1 . 1 34 34 VAL CA C 13 67.198 0.113 . 1 . . . . . 34 V CA . 52793 2
126 . 1 . 1 34 34 VAL CB C 13 31.893 0.079 . 1 . . . . . 34 V CB . 52793 2
127 . 1 . 1 34 34 VAL CG1 C 13 21.754 0.082 . 2 . . . . . 34 V CG1 . 52793 2
128 . 1 . 1 34 34 VAL CG2 C 13 23.153 0.056 . 2 . . . . . 34 V CG2 . 52793 2
129 . 1 . 1 34 34 VAL N N 15 122.504 0.080 . 1 . . . . . 34 V N . 52793 2
130 . 1 . 1 35 35 GLY C C 13 174.753 0.073 . 1 . . . . . 35 G C . 52793 2
131 . 1 . 1 35 35 GLY CA C 13 48.539 0.068 . 1 . . . . . 35 G CA . 52793 2
132 . 1 . 1 35 35 GLY N N 15 104.274 0.029 . 1 . . . . . 35 G N . 52793 2
133 . 1 . 1 36 36 THR C C 13 174.909 0.088 . 1 . . . . . 36 T C . 52793 2
134 . 1 . 1 36 36 THR CA C 13 67.019 0.117 . 1 . . . . . 36 T CA . 52793 2
135 . 1 . 1 36 36 THR CB C 13 68.846 0.110 . 1 . . . . . 36 T CB . 52793 2
136 . 1 . 1 36 36 THR CG2 C 13 22.405 0.158 . 1 . . . . . 36 T CG2 . 52793 2
137 . 1 . 1 36 36 THR N N 15 121.190 0.054 . 1 . . . . . 36 T N . 52793 2
138 . 1 . 1 37 37 ILE C C 13 178.915 0.038 . 1 . . . . . 37 I C . 52793 2
139 . 1 . 1 37 37 ILE CA C 13 64.994 0.069 . 1 . . . . . 37 I CA . 52793 2
140 . 1 . 1 37 37 ILE CB C 13 37.424 0.099 . 1 . . . . . 37 I CB . 52793 2
141 . 1 . 1 37 37 ILE CG1 C 13 29.441 0.049 . 1 . . . . . 37 I CG1 . 52793 2
142 . 1 . 1 37 37 ILE CG2 C 13 18.661 0.033 . 1 . . . . . 37 I CG2 . 52793 2
143 . 1 . 1 37 37 ILE CD1 C 13 14.395 0.000 . 1 . . . . . 37 I CD1 . 52793 2
144 . 1 . 1 38 38 ILE C C 13 177.676 0.086 . 1 . . . . . 38 I C . 52793 2
145 . 1 . 1 38 38 ILE CA C 13 65.693 0.138 . 1 . . . . . 38 I CA . 52793 2
146 . 1 . 1 38 38 ILE CB C 13 38.354 0.035 . 1 . . . . . 38 I CB . 52793 2
147 . 1 . 1 38 38 ILE CG1 C 13 29.960 0.065 . 1 . . . . . 38 I CG1 . 52793 2
148 . 1 . 1 38 38 ILE CG2 C 13 17.627 0.099 . 1 . . . . . 38 I CG2 . 52793 2
149 . 1 . 1 38 38 ILE CD1 C 13 14.857 0.129 . 1 . . . . . 38 I CD1 . 52793 2
150 . 1 . 1 38 38 ILE N N 15 118.263 0.000 . 1 . . . . . 38 I N . 52793 2
151 . 1 . 1 39 39 CYS N N 15 115.893 0.077 . 1 . . . . . 39 C N . 52793 2
152 . 1 . 1 40 40 TYR C C 13 178.784 0.000 . 1 . . . . . 40 Y C . 52793 2
153 . 1 . 1 40 40 TYR CA C 13 60.421 0.030 . 1 . . . . . 40 Y CA . 52793 2
154 . 1 . 1 41 41 CYS C C 13 176.387 0.054 . 1 . . . . . 41 C C . 52793 2
155 . 1 . 1 41 41 CYS CA C 13 65.298 0.085 . 1 . . . . . 41 C CA . 52793 2
156 . 1 . 1 41 41 CYS CB C 13 27.102 0.062 . 1 . . . . . 41 C CB . 52793 2
157 . 1 . 1 42 42 ALA C C 13 178.607 0.032 . 1 . . . . . 42 A C . 52793 2
158 . 1 . 1 42 42 ALA CA C 13 55.638 0.085 . 1 . . . . . 42 A CA . 52793 2
159 . 1 . 1 42 42 ALA CB C 13 18.053 0.067 . 1 . . . . . 42 A CB . 52793 2
160 . 1 . 1 42 42 ALA N N 15 119.694 0.056 . 1 . . . . . 42 A N . 52793 2
161 . 1 . 1 43 43 SER C C 13 176.299 0.056 . 1 . . . . . 43 S C . 52793 2
162 . 1 . 1 43 43 SER CA C 13 63.473 0.118 . 1 . . . . . 43 S CA . 52793 2
163 . 1 . 1 43 43 SER CB C 13 64.943 0.079 . 1 . . . . . 43 S CB . 52793 2
164 . 1 . 1 44 44 PHE C C 13 178.220 0.004 . 1 . . . . . 44 F C . 52793 2
165 . 1 . 1 44 44 PHE CB C 13 38.931 0.073 . 1 . . . . . 44 F CB . 52793 2
166 . 1 . 1 44 44 PHE CD2 C 13 131.566 0.006 . 1 . . . . . 44 F CD2 . 52793 2
167 . 1 . 1 45 45 TRP C C 13 178.505 0.048 . 1 . . . . . 45 W C . 52793 2
168 . 1 . 1 45 45 TRP CA C 13 63.165 0.091 . 1 . . . . . 45 W CA . 52793 2
169 . 1 . 1 45 45 TRP CB C 13 28.164 0.104 . 1 . . . . . 45 W CB . 52793 2
170 . 1 . 1 46 46 LEU C C 13 179.117 0.000 . 1 . . . . . 46 L C . 52793 2
171 . 1 . 1 46 46 LEU CA C 13 58.616 0.123 . 1 . . . . . 46 L CA . 52793 2
172 . 1 . 1 46 46 LEU CB C 13 40.954 0.123 . 1 . . . . . 46 L CB . 52793 2
173 . 1 . 1 46 46 LEU CG C 13 27.081 0.067 . 1 . . . . . 46 L CG . 52793 2
174 . 1 . 1 46 46 LEU CD2 C 13 23.860 0.113 . 2 . . . . . 46 L CD2 . 52793 2
175 . 1 . 1 46 46 LEU N N 15 119.531 0.146 . 1 . . . . . 46 L N . 52793 2
176 . 1 . 1 47 47 LEU C C 13 178.716 0.078 . 1 . . . . . 47 L C . 52793 2
177 . 1 . 1 47 47 LEU CA C 13 57.829 0.116 . 1 . . . . . 47 L CA . 52793 2
178 . 1 . 1 47 47 LEU CG C 13 26.843 0.135 . 1 . . . . . 47 L CG . 52793 2
179 . 1 . 1 47 47 LEU CD1 C 13 24.372 0.005 . 2 . . . . . 47 L CD1 . 52793 2
180 . 1 . 1 47 47 LEU CD2 C 13 23.145 0.052 . 2 . . . . . 47 L CD2 . 52793 2
181 . 1 . 1 48 48 ALA C C 13 180.286 0.122 . 1 . . . . . 48 A C . 52793 2
182 . 1 . 1 48 48 ALA CA C 13 55.076 0.049 . 1 . . . . . 48 A CA . 52793 2
183 . 1 . 1 48 48 ALA CB C 13 17.654 0.020 . 1 . . . . . 48 A CB . 52793 2
184 . 1 . 1 49 49 GLN CA C 13 56.206 0.033 . 1 . . . . . 49 Q CA . 52793 2
185 . 1 . 1 49 49 GLN CB C 13 26.569 0.029 . 1 . . . . . 49 Q CB . 52793 2
186 . 1 . 1 49 49 GLN CG C 13 33.529 0.067 . 1 . . . . . 49 Q CG . 52793 2
187 . 1 . 1 49 49 GLN CD C 13 179.757 0.112 . 1 . . . . . 49 Q CD . 52793 2
188 . 1 . 1 49 49 GLN N N 15 113.812 0.010 . 1 . . . . . 49 Q N . 52793 2
189 . 1 . 1 50 50 THR C C 13 177.202 0.074 . 1 . . . . . 50 T C . 52793 2
190 . 1 . 1 50 50 THR CA C 13 64.037 0.047 . 1 . . . . . 50 T CA . 52793 2
191 . 1 . 1 50 50 THR CB C 13 69.713 0.061 . 1 . . . . . 50 T CB . 52793 2
192 . 1 . 1 50 50 THR CG2 C 13 23.271 0.027 . 1 . . . . . 50 T CG2 . 52793 2
193 . 1 . 1 51 51 LEU C C 13 177.145 0.060 . 1 . . . . . 51 L C . 52793 2
194 . 1 . 1 51 51 LEU CA C 13 55.881 0.094 . 1 . . . . . 51 L CA . 52793 2
195 . 1 . 1 51 51 LEU CB C 13 38.374 0.048 . 1 . . . . . 51 L CB . 52793 2
196 . 1 . 1 51 51 LEU CG C 13 26.478 0.152 . 1 . . . . . 51 L CG . 52793 2
197 . 1 . 1 51 51 LEU CD2 C 13 23.256 0.014 . 2 . . . . . 51 L CD2 . 52793 2
198 . 1 . 1 52 52 ALA C C 13 177.105 0.140 . 1 . . . . . 52 A C . 52793 2
199 . 1 . 1 52 52 ALA CA C 13 52.958 0.075 . 1 . . . . . 52 A CA . 52793 2
200 . 1 . 1 52 52 ALA CB C 13 18.072 0.055 . 1 . . . . . 52 A CB . 52793 2
201 . 1 . 1 52 52 ALA N N 15 119.480 0.067 . 1 . . . . . 52 A N . 52793 2
202 . 1 . 1 53 53 TYR C C 13 175.723 0.076 . 1 . . . . . 53 Y C . 52793 2
203 . 1 . 1 53 53 TYR CA C 13 59.535 0.061 . 1 . . . . . 53 Y CA . 52793 2
204 . 1 . 1 53 53 TYR N N 15 112.688 0.006 . 1 . . . . . 53 Y N . 52793 2
205 . 1 . 1 54 54 ILE C C 13 174.127 0.000 . 1 . . . . . 54 I C . 52793 2
206 . 1 . 1 54 54 ILE CA C 13 57.613 0.084 . 1 . . . . . 54 I CA . 52793 2
207 . 1 . 1 54 54 ILE CB C 13 40.101 0.146 . 1 . . . . . 54 I CB . 52793 2
208 . 1 . 1 54 54 ILE CG1 C 13 26.738 0.052 . 1 . . . . . 54 I CG1 . 52793 2
209 . 1 . 1 54 54 ILE CG2 C 13 17.937 0.076 . 1 . . . . . 54 I CG2 . 52793 2
210 . 1 . 1 54 54 ILE CD1 C 13 13.608 0.121 . 1 . . . . . 54 I CD1 . 52793 2
211 . 1 . 1 55 55 PRO C C 13 177.732 0.120 . 1 . . . . . 55 P C . 52793 2
212 . 1 . 1 55 55 PRO CA C 13 63.037 0.123 . 1 . . . . . 55 P CA . 52793 2
213 . 1 . 1 55 55 PRO CB C 13 33.173 0.079 . 1 . . . . . 55 P CB . 52793 2
214 . 1 . 1 55 55 PRO CG C 13 28.232 0.042 . 1 . . . . . 55 P CG . 52793 2
215 . 1 . 1 55 55 PRO CD C 13 51.569 0.065 . 1 . . . . . 55 P CD . 52793 2
216 . 1 . 1 56 56 THR C C 13 175.822 0.085 . 1 . . . . . 56 T C . 52793 2
217 . 1 . 1 56 56 THR CA C 13 66.175 0.098 . 1 . . . . . 56 T CA . 52793 2
218 . 1 . 1 56 56 THR CB C 13 68.799 0.092 . 1 . . . . . 56 T CB . 52793 2
219 . 1 . 1 56 56 THR CG2 C 13 21.889 0.095 . 1 . . . . . 56 T CG2 . 52793 2
220 . 1 . 1 57 57 GLY CA C 13 48.605 0.077 . 1 . . . . . 57 G CA . 52793 2
221 . 1 . 1 57 57 GLY N N 15 104.035 0.028 . 1 . . . . . 57 G N . 52793 2
222 . 1 . 1 58 58 ILE C C 13 176.788 0.059 . 1 . . . . . 58 I C . 52793 2
223 . 1 . 1 58 58 ILE CA C 13 63.198 0.174 . 1 . . . . . 58 I CA . 52793 2
224 . 1 . 1 58 58 ILE CB C 13 38.183 0.121 . 1 . . . . . 58 I CB . 52793 2
225 . 1 . 1 58 58 ILE CG1 C 13 29.069 0.120 . 1 . . . . . 58 I CG1 . 52793 2
226 . 1 . 1 58 58 ILE CG2 C 13 17.927 0.079 . 1 . . . . . 58 I CG2 . 52793 2
227 . 1 . 1 59 59 ALA C C 13 178.908 0.000 . 1 . . . . . 59 A C . 52793 2
228 . 1 . 1 59 59 ALA CA C 13 56.112 0.072 . 1 . . . . . 59 A CA . 52793 2
229 . 1 . 1 59 59 ALA CB C 13 18.035 0.105 . 1 . . . . . 59 A CB . 52793 2
230 . 1 . 1 59 59 ALA N N 15 121.833 0.084 . 1 . . . . . 59 A N . 52793 2
231 . 1 . 1 60 60 TYR C C 13 177.912 0.000 . 1 . . . . . 60 Y C . 52793 2
232 . 1 . 1 60 60 TYR CB C 13 37.475 0.058 . 1 . . . . . 60 Y CB . 52793 2
233 . 1 . 1 60 60 TYR CD2 C 13 132.412 0.000 . 1 . . . . . 60 Y CD2 . 52793 2
234 . 1 . 1 61 61 ALA C C 13 179.908 0.128 . 1 . . . . . 61 A C . 52793 2
235 . 1 . 1 61 61 ALA CA C 13 55.662 0.112 . 1 . . . . . 61 A CA . 52793 2
236 . 1 . 1 61 61 ALA CB C 13 18.432 0.062 . 1 . . . . . 61 A CB . 52793 2
237 . 1 . 1 62 62 ILE C C 13 176.867 0.066 . 1 . . . . . 62 I C . 52793 2
238 . 1 . 1 62 62 ILE CA C 13 64.676 0.059 . 1 . . . . . 62 I CA . 52793 2
239 . 1 . 1 62 62 ILE CB C 13 38.293 0.073 . 1 . . . . . 62 I CB . 52793 2
240 . 1 . 1 62 62 ILE CG1 C 13 29.351 0.015 . 1 . . . . . 62 I CG1 . 52793 2
241 . 1 . 1 62 62 ILE CG2 C 13 18.081 0.073 . 1 . . . . . 62 I CG2 . 52793 2
242 . 1 . 1 62 62 ILE CD1 C 13 14.901 0.039 . 1 . . . . . 62 I CD1 . 52793 2
243 . 1 . 1 62 62 ILE N N 15 116.551 0.056 . 1 . . . . . 62 I N . 52793 2
244 . 1 . 1 64 64 VAL CA C 13 65.464 0.116 . 1 . . . . . 64 V CA . 52793 2
245 . 1 . 1 64 64 VAL CB C 13 33.207 0.071 . 1 . . . . . 64 V CB . 52793 2
246 . 1 . 1 65 65 GLY C C 13 176.672 0.088 . 1 . . . . . 65 G C . 52793 2
247 . 1 . 1 65 65 GLY CA C 13 47.574 0.071 . 1 . . . . . 65 G CA . 52793 2
248 . 1 . 1 66 66 VAL C C 13 178.149 0.000 . 1 . . . . . 66 V C . 52793 2
249 . 1 . 1 66 66 VAL CA C 13 66.156 0.108 . 1 . . . . . 66 V CA . 52793 2
250 . 1 . 1 66 66 VAL CB C 13 30.957 0.119 . 1 . . . . . 66 V CB . 52793 2
251 . 1 . 1 67 67 GLY C C 13 174.496 0.101 . 1 . . . . . 67 G C . 52793 2
252 . 1 . 1 67 67 GLY CA C 13 46.818 0.000 . 1 . . . . . 67 G CA . 52793 2
253 . 1 . 1 68 68 ILE C C 13 179.140 0.036 . 1 . . . . . 68 I C . 52793 2
254 . 1 . 1 68 68 ILE CA C 13 66.248 0.096 . 1 . . . . . 68 I CA . 52793 2
255 . 1 . 1 68 68 ILE CB C 13 38.157 0.188 . 1 . . . . . 68 I CB . 52793 2
256 . 1 . 1 68 68 ILE CG1 C 13 29.416 0.095 . 1 . . . . . 68 I CG1 . 52793 2
257 . 1 . 1 68 68 ILE CG2 C 13 17.993 0.073 . 1 . . . . . 68 I CG2 . 52793 2
258 . 1 . 1 68 68 ILE CD1 C 13 14.510 0.095 . 1 . . . . . 68 I CD1 . 52793 2
259 . 1 . 1 69 69 VAL C C 13 177.668 0.000 . 1 . . . . . 69 V C . 52793 2
260 . 1 . 1 69 69 VAL CA C 13 67.315 0.103 . 1 . . . . . 69 V CA . 52793 2
261 . 1 . 1 69 69 VAL CB C 13 31.943 0.073 . 1 . . . . . 69 V CB . 52793 2
262 . 1 . 1 69 69 VAL CG1 C 13 23.202 0.106 . 2 . . . . . 69 V CG1 . 52793 2
263 . 1 . 1 69 69 VAL CG2 C 13 21.686 0.073 . 2 . . . . . 69 V CG2 . 52793 2
264 . 1 . 1 69 69 VAL N N 15 120.953 0.023 . 1 . . . . . 69 V N . 52793 2
265 . 1 . 1 70 70 LEU C C 13 179.075 0.119 . 1 . . . . . 70 L C . 52793 2
266 . 1 . 1 70 70 LEU CA C 13 58.297 0.099 . 1 . . . . . 70 L CA . 52793 2
267 . 1 . 1 70 70 LEU CB C 13 42.064 0.137 . 1 . . . . . 70 L CB . 52793 2
268 . 1 . 1 70 70 LEU CG C 13 27.215 0.094 . 1 . . . . . 70 L CG . 52793 2
269 . 1 . 1 70 70 LEU CD1 C 13 25.436 0.019 . 2 . . . . . 70 L CD1 . 52793 2
270 . 1 . 1 70 70 LEU CD2 C 13 22.970 0.095 . 2 . . . . . 70 L CD2 . 52793 2
271 . 1 . 1 71 71 ILE CA C 13 65.681 0.000 . 1 . . . . . 71 I CA . 52793 2
272 . 1 . 1 71 71 ILE CB C 13 38.861 0.096 . 1 . . . . . 71 I CB . 52793 2
273 . 1 . 1 71 71 ILE CG1 C 13 28.727 0.083 . 1 . . . . . 71 I CG1 . 52793 2
274 . 1 . 1 71 71 ILE CG2 C 13 16.890 0.052 . 1 . . . . . 71 I CG2 . 52793 2
275 . 1 . 1 71 71 ILE CD1 C 13 13.594 0.028 . 1 . . . . . 71 I CD1 . 52793 2
276 . 1 . 1 72 72 SER CA C 13 62.893 0.000 . 1 . . . . . 72 S CA . 52793 2
277 . 1 . 1 73 73 LEU C C 13 178.132 0.046 . 1 . . . . . 73 L C . 52793 2
278 . 1 . 1 73 73 LEU CA C 13 58.465 0.076 . 1 . . . . . 73 L CA . 52793 2
279 . 1 . 1 73 73 LEU CB C 13 41.849 0.144 . 1 . . . . . 73 L CB . 52793 2
280 . 1 . 1 73 73 LEU CG C 13 26.812 0.165 . 1 . . . . . 73 L CG . 52793 2
281 . 1 . 1 73 73 LEU CD1 C 13 23.957 0.000 . 2 . . . . . 73 L CD1 . 52793 2
282 . 1 . 1 73 73 LEU CD2 C 13 26.011 0.043 . 2 . . . . . 73 L CD2 . 52793 2
283 . 1 . 1 74 74 LEU C C 13 179.556 0.000 . 1 . . . . . 74 L C . 52793 2
284 . 1 . 1 74 74 LEU CA C 13 58.562 0.093 . 1 . . . . . 74 L CA . 52793 2
285 . 1 . 1 74 74 LEU CB C 13 40.974 0.041 . 1 . . . . . 74 L CB . 52793 2
286 . 1 . 1 74 74 LEU CG C 13 26.914 0.047 . 1 . . . . . 74 L CG . 52793 2
287 . 1 . 1 74 74 LEU CD1 C 13 25.445 0.025 . 2 . . . . . 74 L CD1 . 52793 2
288 . 1 . 1 74 74 LEU CD2 C 13 23.499 0.048 . 2 . . . . . 74 L CD2 . 52793 2
289 . 1 . 1 74 74 LEU N N 15 119.110 0.046 . 1 . . . . . 74 L N . 52793 2
290 . 1 . 1 75 75 SER C C 13 177.038 0.095 . 1 . . . . . 75 S C . 52793 2
291 . 1 . 1 75 75 SER CA C 13 62.662 0.042 . 1 . . . . . 75 S CA . 52793 2
292 . 1 . 1 75 75 SER CB C 13 60.155 0.059 . 1 . . . . . 75 S CB . 52793 2
293 . 1 . 1 76 76 TRP CA C 13 58.530 0.054 . 1 . . . . . 76 W CA . 52793 2
294 . 1 . 1 76 76 TRP CB C 13 27.898 0.022 . 1 . . . . . 76 W CB . 52793 2
295 . 1 . 1 78 78 PHE C C 13 176.957 0.085 . 1 . . . . . 78 F C . 52793 2
296 . 1 . 1 78 78 PHE CA C 13 58.437 0.046 . 1 . . . . . 78 F CA . 52793 2
297 . 1 . 1 78 78 PHE CB C 13 39.460 0.135 . 1 . . . . . 78 F CB . 52793 2
298 . 1 . 1 78 78 PHE CD1 C 13 130.519 0.000 . 1 . . . . . 78 F CD1 . 52793 2
299 . 1 . 1 79 79 PHE C C 13 176.685 0.000 . 1 . . . . . 79 F C . 52793 2
300 . 1 . 1 79 79 PHE CA C 13 56.100 0.065 . 1 . . . . . 79 F CA . 52793 2
301 . 1 . 1 79 79 PHE CB C 13 38.982 0.095 . 1 . . . . . 79 F CB . 52793 2
302 . 1 . 1 80 80 GLY CA C 13 47.248 0.042 . 1 . . . . . 80 G CA . 52793 2
303 . 1 . 1 80 80 GLY N N 15 109.668 0.000 . 1 . . . . . 80 G N . 52793 2
304 . 1 . 1 81 81 GLN C C 13 173.626 0.028 . 1 . . . . . 81 Q C . 52793 2
305 . 1 . 1 81 81 GLN CA C 13 54.121 0.035 . 1 . . . . . 81 Q CA . 52793 2
306 . 1 . 1 82 82 ARG C C 13 175.354 0.048 . 1 . . . . . 82 R C . 52793 2
307 . 1 . 1 82 82 ARG CA C 13 55.849 0.082 . 1 . . . . . 82 R CA . 52793 2
308 . 1 . 1 82 82 ARG CB C 13 31.391 0.167 . 1 . . . . . 82 R CB . 52793 2
309 . 1 . 1 82 82 ARG CG C 13 26.926 0.169 . 1 . . . . . 82 R CG . 52793 2
310 . 1 . 1 82 82 ARG CD C 13 43.097 0.078 . 1 . . . . . 82 R CD . 52793 2
311 . 1 . 1 82 82 ARG N N 15 125.616 0.000 . 1 . . . . . 82 R N . 52793 2
312 . 1 . 1 83 83 LEU C C 13 174.834 0.000 . 1 . . . . . 83 L C . 52793 2
313 . 1 . 1 83 83 LEU CA C 13 52.895 0.038 . 1 . . . . . 83 L CA . 52793 2
314 . 1 . 1 83 83 LEU CG C 13 27.466 0.042 . 1 . . . . . 83 L CG . 52793 2
315 . 1 . 1 83 83 LEU CD1 C 13 26.251 0.050 . 2 . . . . . 83 L CD1 . 52793 2
316 . 1 . 1 84 84 ASP C C 13 175.081 0.041 . 1 . . . . . 84 D C . 52793 2
317 . 1 . 1 84 84 ASP CA C 13 51.136 0.094 . 1 . . . . . 84 D CA . 52793 2
318 . 1 . 1 84 84 ASP CB C 13 41.422 0.051 . 1 . . . . . 84 D CB . 52793 2
319 . 1 . 1 84 84 ASP CG C 13 180.749 0.040 . 1 . . . . . 84 D CG . 52793 2
320 . 1 . 1 84 84 ASP N N 15 119.462 0.000 . 1 . . . . . 84 D N . 52793 2
321 . 1 . 1 85 85 LEU C C 13 175.978 0.123 . 1 . . . . . 85 L C . 52793 2
322 . 1 . 1 85 85 LEU CA C 13 59.619 0.082 . 1 . . . . . 85 L CA . 52793 2
323 . 1 . 1 85 85 LEU CB C 13 38.761 0.156 . 1 . . . . . 85 L CB . 52793 2
324 . 1 . 1 85 85 LEU CG C 13 27.686 0.181 . 1 . . . . . 85 L CG . 52793 2
325 . 1 . 1 85 85 LEU CD1 C 13 25.661 0.127 . 2 . . . . . 85 L CD1 . 52793 2
326 . 1 . 1 85 85 LEU N N 15 117.877 0.000 . 1 . . . . . 85 L N . 52793 2
327 . 1 . 1 86 86 PRO C C 13 177.764 0.054 . 1 . . . . . 86 P C . 52793 2
328 . 1 . 1 86 86 PRO CA C 13 66.275 0.067 . 1 . . . . . 86 P CA . 52793 2
329 . 1 . 1 86 86 PRO CB C 13 31.389 0.090 . 1 . . . . . 86 P CB . 52793 2
330 . 1 . 1 86 86 PRO CG C 13 27.084 0.140 . 1 . . . . . 86 P CG . 52793 2
331 . 1 . 1 86 86 PRO CD C 13 50.530 0.082 . 1 . . . . . 86 P CD . 52793 2
332 . 1 . 1 87 87 ALA C C 13 180.416 0.084 . 1 . . . . . 87 A C . 52793 2
333 . 1 . 1 87 87 ALA CA C 13 55.834 0.090 . 1 . . . . . 87 A CA . 52793 2
334 . 1 . 1 87 87 ALA CB C 13 17.493 0.061 . 1 . . . . . 87 A CB . 52793 2
335 . 1 . 1 87 87 ALA N N 15 117.741 0.000 . 1 . . . . . 87 A N . 52793 2
336 . 1 . 1 88 88 ILE C C 13 177.917 0.029 . 1 . . . . . 88 I C . 52793 2
337 . 1 . 1 88 88 ILE CA C 13 65.189 0.155 . 1 . . . . . 88 I CA . 52793 2
338 . 1 . 1 88 88 ILE CB C 13 38.213 0.059 . 1 . . . . . 88 I CB . 52793 2
339 . 1 . 1 88 88 ILE CG1 C 13 29.390 0.127 . 1 . . . . . 88 I CG1 . 52793 2
340 . 1 . 1 88 88 ILE CG2 C 13 17.523 0.184 . 1 . . . . . 88 I CG2 . 52793 2
341 . 1 . 1 88 88 ILE CD1 C 13 13.512 0.128 . 1 . . . . . 88 I CD1 . 52793 2
342 . 1 . 1 88 88 ILE N N 15 119.155 0.094 . 1 . . . . . 88 I N . 52793 2
343 . 1 . 1 89 89 ILE C C 13 178.443 0.103 . 1 . . . . . 89 I C . 52793 2
344 . 1 . 1 89 89 ILE CA C 13 65.204 0.136 . 1 . . . . . 89 I CA . 52793 2
345 . 1 . 1 89 89 ILE CB C 13 37.254 0.098 . 1 . . . . . 89 I CB . 52793 2
346 . 1 . 1 89 89 ILE CG1 C 13 29.090 0.142 . 1 . . . . . 89 I CG1 . 52793 2
347 . 1 . 1 89 89 ILE CG2 C 13 17.428 0.072 . 1 . . . . . 89 I CG2 . 52793 2
348 . 1 . 1 89 89 ILE CD1 C 13 13.111 0.082 . 1 . . . . . 89 I CD1 . 52793 2
349 . 1 . 1 89 89 ILE N N 15 119.078 0.069 . 1 . . . . . 89 I N . 52793 2
350 . 1 . 1 90 90 GLY C C 13 175.474 0.117 . 1 . . . . . 90 G C . 52793 2
351 . 1 . 1 90 90 GLY CA C 13 48.084 0.074 . 1 . . . . . 90 G CA . 52793 2
352 . 1 . 1 90 90 GLY N N 15 107.507 0.053 . 1 . . . . . 90 G N . 52793 2
353 . 1 . 1 91 91 MET C C 13 178.592 0.085 . 1 . . . . . 91 M C . 52793 2
354 . 1 . 1 91 91 MET CA C 13 60.333 0.065 . 1 . . . . . 91 M CA . 52793 2
355 . 1 . 1 91 91 MET CB C 13 32.881 0.098 . 1 . . . . . 91 M CB . 52793 2
356 . 1 . 1 91 91 MET CG C 13 33.949 0.098 . 1 . . . . . 91 M CG . 52793 2
357 . 1 . 1 91 91 MET N N 15 119.802 0.120 . 1 . . . . . 91 M N . 52793 2
358 . 1 . 1 92 92 MET C C 13 178.040 0.055 . 1 . . . . . 92 M C . 52793 2
359 . 1 . 1 92 92 MET CA C 13 60.265 0.074 . 1 . . . . . 92 M CA . 52793 2
360 . 1 . 1 92 92 MET CB C 13 32.563 0.079 . 1 . . . . . 92 M CB . 52793 2
361 . 1 . 1 92 92 MET CG C 13 31.430 0.096 . 1 . . . . . 92 M CG . 52793 2
362 . 1 . 1 92 92 MET CE C 13 16.805 0.102 . 1 . . . . . 92 M CE . 52793 2
363 . 1 . 1 92 92 MET N N 15 119.389 0.117 . 1 . . . . . 92 M N . 52793 2
364 . 1 . 1 93 93 LEU C C 13 178.641 0.033 . 1 . . . . . 93 L C . 52793 2
365 . 1 . 1 93 93 LEU CA C 13 58.135 0.141 . 1 . . . . . 93 L CA . 52793 2
366 . 1 . 1 93 93 LEU CB C 13 40.827 0.098 . 1 . . . . . 93 L CB . 52793 2
367 . 1 . 1 93 93 LEU CG C 13 26.472 0.103 . 1 . . . . . 93 L CG . 52793 2
368 . 1 . 1 93 93 LEU CD1 C 13 25.489 0.034 . 2 . . . . . 93 L CD1 . 52793 2
369 . 1 . 1 93 93 LEU CD2 C 13 22.872 0.120 . 2 . . . . . 93 L CD2 . 52793 2
370 . 1 . 1 94 94 ILE C C 13 177.755 0.023 . 1 . . . . . 94 I C . 52793 2
371 . 1 . 1 94 94 ILE CA C 13 65.612 0.172 . 1 . . . . . 94 I CA . 52793 2
372 . 1 . 1 94 94 ILE CB C 13 37.334 0.043 . 1 . . . . . 94 I CB . 52793 2
373 . 1 . 1 94 94 ILE CG1 C 13 28.877 0.080 . 1 . . . . . 94 I CG1 . 52793 2
374 . 1 . 1 94 94 ILE CG2 C 13 17.195 0.005 . 1 . . . . . 94 I CG2 . 52793 2
375 . 1 . 1 94 94 ILE CD1 C 13 13.573 0.126 . 1 . . . . . 94 I CD1 . 52793 2
376 . 1 . 1 95 95 CYS C C 13 176.394 0.056 . 1 . . . . . 95 C C . 52793 2
377 . 1 . 1 95 95 CYS CA C 13 64.832 0.133 . 1 . . . . . 95 C CA . 52793 2
378 . 1 . 1 95 95 CYS CB C 13 27.098 0.033 . 1 . . . . . 95 C CB . 52793 2
379 . 1 . 1 95 95 CYS N N 15 115.729 0.000 . 1 . . . . . 95 C N . 52793 2
380 . 1 . 1 96 96 ALA C C 13 178.954 0.084 . 1 . . . . . 96 A C . 52793 2
381 . 1 . 1 96 96 ALA CA C 13 55.616 0.138 . 1 . . . . . 96 A CA . 52793 2
382 . 1 . 1 96 96 ALA CB C 13 18.667 0.099 . 1 . . . . . 96 A CB . 52793 2
383 . 1 . 1 96 96 ALA N N 15 120.120 0.024 . 1 . . . . . 96 A N . 52793 2
384 . 1 . 1 97 97 GLY C C 13 175.142 0.090 . 1 . . . . . 97 G C . 52793 2
385 . 1 . 1 97 97 GLY CA C 13 49.192 0.076 . 1 . . . . . 97 G CA . 52793 2
386 . 1 . 1 97 97 GLY N N 15 105.147 0.142 . 1 . . . . . 97 G N . 52793 2
387 . 1 . 1 98 98 VAL C C 13 178.029 0.079 . 1 . . . . . 98 V C . 52793 2
388 . 1 . 1 98 98 VAL CA C 13 67.244 0.165 . 1 . . . . . 98 V CA . 52793 2
389 . 1 . 1 98 98 VAL CB C 13 32.000 0.130 . 1 . . . . . 98 V CB . 52793 2
390 . 1 . 1 98 98 VAL CG1 C 13 21.706 0.074 . 2 . . . . . 98 V CG1 . 52793 2
391 . 1 . 1 98 98 VAL CG2 C 13 23.171 0.109 . 2 . . . . . 98 V CG2 . 52793 2
392 . 1 . 1 98 98 VAL N N 15 120.255 0.009 . 1 . . . . . 98 V N . 52793 2
393 . 1 . 1 99 99 LEU C C 13 177.959 0.071 . 1 . . . . . 99 L C . 52793 2
394 . 1 . 1 99 99 LEU CA C 13 58.581 0.078 . 1 . . . . . 99 L CA . 52793 2
395 . 1 . 1 99 99 LEU CB C 13 40.875 0.172 . 1 . . . . . 99 L CB . 52793 2
396 . 1 . 1 99 99 LEU CG C 13 26.989 0.108 . 1 . . . . . 99 L CG . 52793 2
397 . 1 . 1 99 99 LEU CD1 C 13 23.972 0.035 . 2 . . . . . 99 L CD1 . 52793 2
398 . 1 . 1 99 99 LEU CD2 C 13 23.816 0.055 . 2 . . . . . 99 L CD2 . 52793 2
399 . 1 . 1 100 100 ILE C C 13 177.719 0.058 . 1 . . . . . 100 I C . 52793 2
400 . 1 . 1 100 100 ILE CA C 13 66.080 0.054 . 1 . . . . . 100 I CA . 52793 2
401 . 1 . 1 100 100 ILE CB C 13 37.524 0.065 . 1 . . . . . 100 I CB . 52793 2
402 . 1 . 1 100 100 ILE CG1 C 13 29.330 0.033 . 1 . . . . . 100 I CG1 . 52793 2
403 . 1 . 1 100 100 ILE CD1 C 13 13.787 0.124 . 1 . . . . . 100 I CD1 . 52793 2
404 . 1 . 1 100 100 ILE N N 15 118.471 0.073 . 1 . . . . . 100 I N . 52793 2
405 . 1 . 1 101 101 ILE C C 13 176.985 0.129 . 1 . . . . . 101 I C . 52793 2
406 . 1 . 1 101 101 ILE CA C 13 65.704 0.105 . 1 . . . . . 101 I CA . 52793 2
407 . 1 . 1 101 101 ILE CB C 13 38.355 0.180 . 1 . . . . . 101 I CB . 52793 2
408 . 1 . 1 101 101 ILE CG1 C 13 27.151 0.131 . 1 . . . . . 101 I CG1 . 52793 2
409 . 1 . 1 101 101 ILE CG2 C 13 18.251 0.073 . 1 . . . . . 101 I CG2 . 52793 2
410 . 1 . 1 101 101 ILE CD1 C 13 13.786 0.099 . 1 . . . . . 101 I CD1 . 52793 2
411 . 1 . 1 102 102 ASN C C 13 176.533 0.000 . 1 . . . . . 102 N C . 52793 2
412 . 1 . 1 102 102 ASN CA C 13 57.082 0.155 . 1 . . . . . 102 N CA . 52793 2
413 . 1 . 1 102 102 ASN CB C 13 39.534 0.158 . 1 . . . . . 102 N CB . 52793 2
414 . 1 . 1 102 102 ASN CG C 13 176.284 0.070 . 1 . . . . . 102 N CG . 52793 2
415 . 1 . 1 103 103 LEU C C 13 178.243 0.039 . 1 . . . . . 103 L C . 52793 2
416 . 1 . 1 103 103 LEU CB C 13 41.698 0.000 . 1 . . . . . 103 L CB . 52793 2
417 . 1 . 1 103 103 LEU CD1 C 13 24.997 0.041 . 2 . . . . . 103 L CD1 . 52793 2
418 . 1 . 1 103 103 LEU CD2 C 13 24.451 0.000 . 2 . . . . . 103 L CD2 . 52793 2
419 . 1 . 1 104 104 LEU C C 13 176.600 0.171 . 1 . . . . . 104 L C . 52793 2
420 . 1 . 1 104 104 LEU CA C 13 54.477 0.171 . 1 . . . . . 104 L CA . 52793 2
421 . 1 . 1 104 104 LEU CG C 13 26.690 0.063 . 1 . . . . . 104 L CG . 52793 2
422 . 1 . 1 104 104 LEU CD1 C 13 26.888 0.073 . 2 . . . . . 104 L CD1 . 52793 2
423 . 1 . 1 105 105 SER C C 13 175.217 0.047 . 1 . . . . . 105 S C . 52793 2
424 . 1 . 1 105 105 SER CA C 13 58.714 0.092 . 1 . . . . . 105 S CA . 52793 2
425 . 1 . 1 105 105 SER CB C 13 64.502 0.035 . 1 . . . . . 105 S CB . 52793 2
426 . 1 . 1 106 106 ARG C C 13 176.875 0.035 . 1 . . . . . 106 R C . 52793 2
427 . 1 . 1 106 106 ARG CA C 13 56.373 0.000 . 1 . . . . . 106 R CA . 52793 2
428 . 1 . 1 106 106 ARG CB C 13 30.564 0.097 . 1 . . . . . 106 R CB . 52793 2
429 . 1 . 1 106 106 ARG CG C 13 27.291 0.089 . 1 . . . . . 106 R CG . 52793 2
430 . 1 . 1 106 106 ARG CD C 13 44.036 0.005 . 1 . . . . . 106 R CD . 52793 2
431 . 1 . 1 107 107 SER C C 13 174.389 0.066 . 1 . . . . . 107 S C . 52793 2
432 . 1 . 1 107 107 SER CA C 13 58.232 0.087 . 1 . . . . . 107 S CA . 52793 2
433 . 1 . 1 107 107 SER CB C 13 63.267 0.076 . 1 . . . . . 107 S CB . 52793 2
434 . 1 . 1 109 109 PRO C C 13 176.313 0.000 . 1 . . . . . 109 P C . 52793 2
435 . 1 . 1 109 109 PRO CA C 13 64.631 0.133 . 1 . . . . . 109 P CA . 52793 2
436 . 1 . 1 109 109 PRO CB C 13 30.600 0.051 . 1 . . . . . 109 P CB . 52793 2
437 . 1 . 1 109 109 PRO CG C 13 27.374 0.099 . 1 . . . . . 109 P CG . 52793 2
438 . 1 . 1 109 109 PRO CD C 13 50.972 0.093 . 1 . . . . . 109 P CD . 52793 2
439 . 1 . 1 110 110 HIS C C 13 175.027 0.041 . 1 . . . . . 110 H C . 52793 2
440 . 1 . 1 110 110 HIS CA C 13 57.087 0.000 . 1 . . . . . 110 H CA . 52793 2
441 . 2 . 1 1 1 MET C C 13 175.799 0.078 . 1 . . . . . 1 M C . 52793 2
442 . 2 . 1 1 1 MET CA C 13 54.131 0.085 . 1 . . . . . 1 M CA . 52793 2
443 . 2 . 1 1 1 MET CB C 13 32.211 0.138 . 1 . . . . . 1 M CB . 52793 2
444 . 2 . 1 1 1 MET CG C 13 32.125 0.000 . 1 . . . . . 1 M CG . 52793 2
445 . 2 . 1 2 2 ASN C C 13 175.418 0.000 . 1 . . . . . 2 N C . 52793 2
446 . 2 . 1 2 2 ASN CB C 13 38.655 0.042 . 1 . . . . . 2 N CB . 52793 2
447 . 2 . 1 3 3 PRO C C 13 177.957 0.116 . 1 . . . . . 3 P C . 52793 2
448 . 2 . 1 3 3 PRO CA C 13 64.608 0.074 . 1 . . . . . 3 P CA . 52793 2
449 . 2 . 1 3 3 PRO CB C 13 31.891 0.099 . 1 . . . . . 3 P CB . 52793 2
450 . 2 . 1 3 3 PRO CG C 13 27.345 0.135 . 1 . . . . . 3 P CG . 52793 2
451 . 2 . 1 3 3 PRO CD C 13 50.608 0.062 . 1 . . . . . 3 P CD . 52793 2
452 . 2 . 1 4 4 TYR C C 13 178.351 0.000 . 1 . . . . . 4 Y C . 52793 2
453 . 2 . 1 4 4 TYR CB C 13 37.254 0.071 . 1 . . . . . 4 Y CB . 52793 2
454 . 2 . 1 4 4 TYR CD2 C 13 132.662 0.015 . 1 . . . . . 4 Y CD2 . 52793 2
455 . 2 . 1 5 5 ILE C C 13 178.140 0.050 . 1 . . . . . 5 I C . 52793 2
456 . 2 . 1 5 5 ILE CA C 13 64.591 0.099 . 1 . . . . . 5 I CA . 52793 2
457 . 2 . 1 5 5 ILE CB C 13 35.715 0.112 . 1 . . . . . 5 I CB . 52793 2
458 . 2 . 1 5 5 ILE CG1 C 13 28.839 0.170 . 1 . . . . . 5 I CG1 . 52793 2
459 . 2 . 1 5 5 ILE CG2 C 13 17.509 0.092 . 1 . . . . . 5 I CG2 . 52793 2
460 . 2 . 1 5 5 ILE CD1 C 13 12.906 0.027 . 1 . . . . . 5 I CD1 . 52793 2
461 . 2 . 1 6 6 TYR C C 13 178.094 0.026 . 1 . . . . . 6 Y C . 52793 2
462 . 2 . 1 6 6 TYR CA C 13 61.595 0.000 . 1 . . . . . 6 Y CA . 52793 2
463 . 2 . 1 6 6 TYR CB C 13 37.041 0.061 . 1 . . . . . 6 Y CB . 52793 2
464 . 2 . 1 7 7 LEU C C 13 178.667 0.057 . 1 . . . . . 7 L C . 52793 2
465 . 2 . 1 7 7 LEU CA C 13 57.777 0.086 . 1 . . . . . 7 L CA . 52793 2
466 . 2 . 1 7 7 LEU CB C 13 41.410 0.118 . 1 . . . . . 7 L CB . 52793 2
467 . 2 . 1 7 7 LEU CG C 13 27.407 0.145 . 1 . . . . . 7 L CG . 52793 2
468 . 2 . 1 7 7 LEU CD1 C 13 24.930 0.136 . 2 . . . . . 7 L CD1 . 52793 2
469 . 2 . 1 8 8 GLY N N 15 106.038 0.000 . 1 . . . . . 8 G N . 52793 2
470 . 2 . 1 9 9 GLY C C 13 174.312 0.078 . 1 . . . . . 9 G C . 52793 2
471 . 2 . 1 9 9 GLY CA C 13 48.260 0.116 . 1 . . . . . 9 G CA . 52793 2
472 . 2 . 1 9 9 GLY N N 15 108.048 0.000 . 1 . . . . . 9 G N . 52793 2
473 . 2 . 1 10 10 ALA C C 13 182.264 0.051 . 1 . . . . . 10 A C . 52793 2
474 . 2 . 1 10 10 ALA CA C 13 55.745 0.096 . 1 . . . . . 10 A CA . 52793 2
475 . 2 . 1 10 10 ALA CB C 13 18.921 0.061 . 1 . . . . . 10 A CB . 52793 2
476 . 2 . 1 10 10 ALA N N 15 124.674 0.082 . 1 . . . . . 10 A N . 52793 2
477 . 2 . 1 11 11 ILE C C 13 177.033 0.058 . 1 . . . . . 11 I C . 52793 2
478 . 2 . 1 11 11 ILE CA C 13 64.735 0.164 . 1 . . . . . 11 I CA . 52793 2
479 . 2 . 1 11 11 ILE CB C 13 38.410 0.084 . 1 . . . . . 11 I CB . 52793 2
480 . 2 . 1 11 11 ILE CG1 C 13 27.065 0.081 . 1 . . . . . 11 I CG1 . 52793 2
481 . 2 . 1 11 11 ILE CG2 C 13 18.005 0.132 . 1 . . . . . 11 I CG2 . 52793 2
482 . 2 . 1 11 11 ILE CD1 C 13 13.890 0.072 . 1 . . . . . 11 I CD1 . 52793 2
483 . 2 . 1 11 11 ILE N N 15 123.155 0.043 . 1 . . . . . 11 I N . 52793 2
484 . 2 . 1 12 12 LEU CB C 13 40.540 0.000 . 1 . . . . . 12 L CB . 52793 2
485 . 2 . 1 12 12 LEU CG C 13 26.847 0.030 . 1 . . . . . 12 L CG . 52793 2
486 . 2 . 1 12 12 LEU CD1 C 13 24.823 0.004 . 2 . . . . . 12 L CD1 . 52793 2
487 . 2 . 1 12 12 LEU CD2 C 13 23.949 0.046 . 2 . . . . . 12 L CD2 . 52793 2
488 . 2 . 1 13 13 ALA CA C 13 55.035 0.057 . 1 . . . . . 13 A CA . 52793 2
489 . 2 . 1 13 13 ALA CB C 13 17.170 0.091 . 1 . . . . . 13 A CB . 52793 2
490 . 2 . 1 14 14 GLU CA C 13 58.463 0.041 . 1 . . . . . 14 E CA . 52793 2
491 . 2 . 1 14 14 GLU CB C 13 26.958 0.097 . 1 . . . . . 14 E CB . 52793 2
492 . 2 . 1 14 14 GLU CG C 13 36.679 0.079 . 1 . . . . . 14 E CG . 52793 2
493 . 2 . 1 15 15 VAL C C 13 179.098 0.039 . 1 . . . . . 15 V C . 52793 2
494 . 2 . 1 15 15 VAL CA C 13 66.253 0.000 . 1 . . . . . 15 V CA . 52793 2
495 . 2 . 1 15 15 VAL CB C 13 31.831 0.044 . 1 . . . . . 15 V CB . 52793 2
496 . 2 . 1 15 15 VAL CG1 C 13 22.269 0.000 . 2 . . . . . 15 V CG1 . 52793 2
497 . 2 . 1 15 15 VAL CG2 C 13 21.672 0.065 . 2 . . . . . 15 V CG2 . 52793 2
498 . 2 . 1 16 16 ILE C C 13 179.298 0.061 . 1 . . . . . 16 I C . 52793 2
499 . 2 . 1 16 16 ILE CA C 13 66.427 0.127 . 1 . . . . . 16 I CA . 52793 2
500 . 2 . 1 16 16 ILE CB C 13 37.993 0.067 . 1 . . . . . 16 I CB . 52793 2
501 . 2 . 1 16 16 ILE CG1 C 13 29.523 0.101 . 1 . . . . . 16 I CG1 . 52793 2
502 . 2 . 1 16 16 ILE CG2 C 13 17.604 0.077 . 1 . . . . . 16 I CG2 . 52793 2
503 . 2 . 1 16 16 ILE CD1 C 13 13.523 0.139 . 1 . . . . . 16 I CD1 . 52793 2
504 . 2 . 1 17 17 GLY C C 13 174.258 0.030 . 1 . . . . . 17 G C . 52793 2
505 . 2 . 1 17 17 GLY CA C 13 47.737 0.027 . 1 . . . . . 17 G CA . 52793 2
506 . 2 . 1 18 18 THR CA C 13 66.136 0.032 . 1 . . . . . 18 T CA . 52793 2
507 . 2 . 1 18 18 THR CB C 13 68.721 0.051 . 1 . . . . . 18 T CB . 52793 2
508 . 2 . 1 18 18 THR CG2 C 13 21.742 0.077 . 1 . . . . . 18 T CG2 . 52793 2
509 . 2 . 1 19 19 THR C C 13 176.217 0.050 . 1 . . . . . 19 T C . 52793 2
510 . 2 . 1 19 19 THR CA C 13 67.600 0.165 . 1 . . . . . 19 T CA . 52793 2
511 . 2 . 1 19 19 THR CB C 13 68.588 0.146 . 1 . . . . . 19 T CB . 52793 2
512 . 2 . 1 19 19 THR CG2 C 13 21.881 0.092 . 1 . . . . . 19 T CG2 . 52793 2
513 . 2 . 1 20 20 LEU C C 13 178.453 0.096 . 1 . . . . . 20 L C . 52793 2
514 . 2 . 1 20 20 LEU CA C 13 57.722 0.087 . 1 . . . . . 20 L CA . 52793 2
515 . 2 . 1 20 20 LEU CB C 13 41.168 0.039 . 1 . . . . . 20 L CB . 52793 2
516 . 2 . 1 20 20 LEU CG C 13 26.810 0.052 . 1 . . . . . 20 L CG . 52793 2
517 . 2 . 1 20 20 LEU CD1 C 13 23.805 0.115 . 2 . . . . . 20 L CD1 . 52793 2
518 . 2 . 1 20 20 LEU CD2 C 13 23.392 0.063 . 2 . . . . . 20 L CD2 . 52793 2
519 . 2 . 1 20 20 LEU N N 15 120.881 0.004 . 1 . . . . . 20 L N . 52793 2
520 . 2 . 1 21 21 MET CB C 13 30.965 0.051 . 1 . . . . . 21 M CB . 52793 2
521 . 2 . 1 21 21 MET CG C 13 32.305 0.000 . 1 . . . . . 21 M CG . 52793 2
522 . 2 . 1 22 22 LYS C C 13 178.288 0.000 . 1 . . . . . 22 K C . 52793 2
523 . 2 . 1 22 22 LYS CA C 13 59.338 0.046 . 1 . . . . . 22 K CA . 52793 2
524 . 2 . 1 22 22 LYS CB C 13 30.588 0.100 . 1 . . . . . 22 K CB . 52793 2
525 . 2 . 1 22 22 LYS CG C 13 24.802 0.147 . 1 . . . . . 22 K CG . 52793 2
526 . 2 . 1 22 22 LYS CD C 13 28.962 0.051 . 1 . . . . . 22 K CD . 52793 2
527 . 2 . 1 22 22 LYS CE C 13 41.682 0.029 . 1 . . . . . 22 K CE . 52793 2
528 . 2 . 1 24 24 SER C C 13 173.592 0.091 . 1 . . . . . 24 S C . 52793 2
529 . 2 . 1 24 24 SER CA C 13 60.854 0.084 . 1 . . . . . 24 S CA . 52793 2
530 . 2 . 1 24 24 SER CB C 13 63.990 0.092 . 1 . . . . . 24 S CB . 52793 2
531 . 2 . 1 25 25 GLU C C 13 178.103 0.129 . 1 . . . . . 25 E C . 52793 2
532 . 2 . 1 25 25 GLU CA C 13 56.033 0.129 . 1 . . . . . 25 E CA . 52793 2
533 . 2 . 1 25 25 GLU CB C 13 26.656 0.061 . 1 . . . . . 25 E CB . 52793 2
534 . 2 . 1 25 25 GLU CG C 13 36.612 0.084 . 1 . . . . . 25 E CG . 52793 2
535 . 2 . 1 26 26 GLY C C 13 174.711 0.000 . 1 . . . . . 26 G C . 52793 2
536 . 2 . 1 26 26 GLY CA C 13 47.542 0.070 . 1 . . . . . 26 G CA . 52793 2
537 . 2 . 1 26 26 GLY N N 15 113.329 0.180 . 1 . . . . . 26 G N . 52793 2
538 . 2 . 1 27 27 PHE CB C 13 36.779 0.039 . 1 . . . . . 27 F CB . 52793 2
539 . 2 . 1 27 27 PHE CD1 C 13 131.862 0.026 . 1 . . . . . 27 F CD1 . 52793 2
540 . 2 . 1 27 27 PHE CD2 C 13 131.065 0.041 . 1 . . . . . 27 F CD2 . 52793 2
541 . 2 . 1 28 28 THR C C 13 174.914 0.119 . 1 . . . . . 28 T C . 52793 2
542 . 2 . 1 28 28 THR CA C 13 62.058 0.084 . 1 . . . . . 28 T CA . 52793 2
543 . 2 . 1 28 28 THR CB C 13 70.760 0.063 . 1 . . . . . 28 T CB . 52793 2
544 . 2 . 1 28 28 THR CG2 C 13 21.686 0.054 . 1 . . . . . 28 T CG2 . 52793 2
545 . 2 . 1 28 28 THR N N 15 101.451 0.181 . 1 . . . . . 28 T N . 52793 2
546 . 2 . 1 29 29 ARG C C 13 178.052 0.106 . 1 . . . . . 29 R C . 52793 2
547 . 2 . 1 29 29 ARG CA C 13 54.179 0.078 . 1 . . . . . 29 R CA . 52793 2
548 . 2 . 1 29 29 ARG CB C 13 31.048 0.111 . 1 . . . . . 29 R CB . 52793 2
549 . 2 . 1 29 29 ARG CG C 13 27.061 0.135 . 1 . . . . . 29 R CG . 52793 2
550 . 2 . 1 29 29 ARG CD C 13 43.363 0.078 . 1 . . . . . 29 R CD . 52793 2
551 . 2 . 1 30 30 LEU C C 13 177.770 0.003 . 1 . . . . . 30 L C . 52793 2
552 . 2 . 1 30 30 LEU CA C 13 60.278 0.070 . 1 . . . . . 30 L CA . 52793 2
553 . 2 . 1 30 30 LEU CB C 13 41.896 0.116 . 1 . . . . . 30 L CB . 52793 2
554 . 2 . 1 30 30 LEU CG C 13 26.704 0.048 . 1 . . . . . 30 L CG . 52793 2
555 . 2 . 1 30 30 LEU CD2 C 13 22.922 0.056 . 2 . . . . . 30 L CD2 . 52793 2
556 . 2 . 1 30 30 LEU N N 15 130.820 0.000 . 1 . . . . . 30 L N . 52793 2
557 . 2 . 1 31 31 TRP C C 13 177.115 0.041 . 1 . . . . . 31 W C . 52793 2
558 . 2 . 1 31 31 TRP CA C 13 61.807 0.137 . 1 . . . . . 31 W CA . 52793 2
559 . 2 . 1 31 31 TRP CB C 13 26.670 0.057 . 1 . . . . . 31 W CB . 52793 2
560 . 2 . 1 31 31 TRP CG C 13 111.377 0.092 . 1 . . . . . 31 W CG . 52793 2
561 . 2 . 1 32 32 PRO CA C 13 65.860 0.107 . 1 . . . . . 32 P CA . 52793 2
562 . 2 . 1 32 32 PRO CB C 13 30.179 0.055 . 1 . . . . . 32 P CB . 52793 2
563 . 2 . 1 32 32 PRO CG C 13 27.951 0.036 . 1 . . . . . 32 P CG . 52793 2
564 . 2 . 1 32 32 PRO CD C 13 50.242 0.057 . 1 . . . . . 32 P CD . 52793 2
565 . 2 . 1 33 33 SER C C 13 174.967 0.066 . 1 . . . . . 33 S C . 52793 2
566 . 2 . 1 33 33 SER CA C 13 63.627 0.000 . 1 . . . . . 33 S CA . 52793 2
567 . 2 . 1 33 33 SER CB C 13 62.820 0.049 . 1 . . . . . 33 S CB . 52793 2
568 . 2 . 1 34 34 VAL C C 13 178.345 0.070 . 1 . . . . . 34 V C . 52793 2
569 . 2 . 1 34 34 VAL CA C 13 67.176 0.099 . 1 . . . . . 34 V CA . 52793 2
570 . 2 . 1 34 34 VAL CB C 13 31.887 0.083 . 1 . . . . . 34 V CB . 52793 2
571 . 2 . 1 34 34 VAL CG1 C 13 21.908 0.068 . 2 . . . . . 34 V CG1 . 52793 2
572 . 2 . 1 34 34 VAL CG2 C 13 23.290 0.088 . 2 . . . . . 34 V CG2 . 52793 2
573 . 2 . 1 34 34 VAL N N 15 122.584 0.143 . 1 . . . . . 34 V N . 52793 2
574 . 2 . 1 35 35 GLY C C 13 175.029 0.009 . 1 . . . . . 35 G C . 52793 2
575 . 2 . 1 35 35 GLY CA C 13 47.824 0.000 . 1 . . . . . 35 G CA . 52793 2
576 . 2 . 1 36 36 THR C C 13 175.913 0.094 . 1 . . . . . 36 T C . 52793 2
577 . 2 . 1 36 36 THR CA C 13 69.198 0.052 . 1 . . . . . 36 T CA . 52793 2
578 . 2 . 1 36 36 THR CB C 13 69.239 0.153 . 1 . . . . . 36 T CB . 52793 2
579 . 2 . 1 36 36 THR CG2 C 13 21.928 0.097 . 1 . . . . . 36 T CG2 . 52793 2
580 . 2 . 1 36 36 THR N N 15 121.202 0.030 . 1 . . . . . 36 T N . 52793 2
581 . 2 . 1 37 37 ILE C C 13 178.457 0.074 . 1 . . . . . 37 I C . 52793 2
582 . 2 . 1 37 37 ILE CA C 13 64.925 0.106 . 1 . . . . . 37 I CA . 52793 2
583 . 2 . 1 37 37 ILE CB C 13 36.894 0.034 . 1 . . . . . 37 I CB . 52793 2
584 . 2 . 1 37 37 ILE CG2 C 13 17.447 0.036 . 1 . . . . . 37 I CG2 . 52793 2
585 . 2 . 1 37 37 ILE CD1 C 13 13.492 0.108 . 1 . . . . . 37 I CD1 . 52793 2
586 . 2 . 1 38 38 ILE C C 13 177.671 0.154 . 1 . . . . . 38 I C . 52793 2
587 . 2 . 1 38 38 ILE CA C 13 65.640 0.077 . 1 . . . . . 38 I CA . 52793 2
588 . 2 . 1 38 38 ILE CB C 13 38.388 0.050 . 1 . . . . . 38 I CB . 52793 2
589 . 2 . 1 38 38 ILE CG1 C 13 30.758 0.142 . 1 . . . . . 38 I CG1 . 52793 2
590 . 2 . 1 38 38 ILE CG2 C 13 16.665 0.048 . 1 . . . . . 38 I CG2 . 52793 2
591 . 2 . 1 38 38 ILE CD1 C 13 14.654 0.162 . 1 . . . . . 38 I CD1 . 52793 2
592 . 2 . 1 39 39 CYS CA C 13 64.970 0.058 . 1 . . . . . 39 C CA . 52793 2
593 . 2 . 1 39 39 CYS CB C 13 27.250 0.038 . 1 . . . . . 39 C CB . 52793 2
594 . 2 . 1 39 39 CYS N N 15 115.974 0.014 . 1 . . . . . 39 C N . 52793 2
595 . 2 . 1 40 40 TYR C C 13 178.574 0.023 . 1 . . . . . 40 Y C . 52793 2
596 . 2 . 1 41 41 CYS C C 13 176.530 0.019 . 1 . . . . . 41 C C . 52793 2
597 . 2 . 1 41 41 CYS CA C 13 63.261 0.003 . 1 . . . . . 41 C CA . 52793 2
598 . 2 . 1 41 41 CYS CB C 13 26.534 0.055 . 1 . . . . . 41 C CB . 52793 2
599 . 2 . 1 42 42 ALA C C 13 178.463 0.072 . 1 . . . . . 42 A C . 52793 2
600 . 2 . 1 42 42 ALA CA C 13 55.538 0.142 . 1 . . . . . 42 A CA . 52793 2
601 . 2 . 1 42 42 ALA CB C 13 17.897 0.074 . 1 . . . . . 42 A CB . 52793 2
602 . 2 . 1 42 42 ALA N N 15 119.684 0.065 . 1 . . . . . 42 A N . 52793 2
603 . 2 . 1 43 43 SER C C 13 177.092 0.096 . 1 . . . . . 43 S C . 52793 2
604 . 2 . 1 43 43 SER CA C 13 63.491 0.103 . 1 . . . . . 43 S CA . 52793 2
605 . 2 . 1 43 43 SER CB C 13 64.815 0.123 . 1 . . . . . 43 S CB . 52793 2
606 . 2 . 1 43 43 SER N N 15 111.373 0.075 . 1 . . . . . 43 S N . 52793 2
607 . 2 . 1 44 44 PHE CA C 13 59.585 0.105 . 1 . . . . . 44 F CA . 52793 2
608 . 2 . 1 44 44 PHE CB C 13 38.872 0.046 . 1 . . . . . 44 F CB . 52793 2
609 . 2 . 1 44 44 PHE N N 15 116.640 0.000 . 1 . . . . . 44 F N . 52793 2
610 . 2 . 1 45 45 TRP C C 13 179.090 0.023 . 1 . . . . . 45 W C . 52793 2
611 . 2 . 1 45 45 TRP CA C 13 62.790 0.127 . 1 . . . . . 45 W CA . 52793 2
612 . 2 . 1 45 45 TRP CB C 13 28.225 0.094 . 1 . . . . . 45 W CB . 52793 2
613 . 2 . 1 46 46 LEU CA C 13 58.116 0.000 . 1 . . . . . 46 L CA . 52793 2
614 . 2 . 1 46 46 LEU CG C 13 26.978 0.000 . 1 . . . . . 46 L CG . 52793 2
615 . 2 . 1 46 46 LEU CD1 C 13 25.088 0.036 . 2 . . . . . 46 L CD1 . 52793 2
616 . 2 . 1 46 46 LEU CD2 C 13 23.507 0.043 . 2 . . . . . 46 L CD2 . 52793 2
617 . 2 . 1 47 47 LEU C C 13 180.313 0.051 . 1 . . . . . 47 L C . 52793 2
618 . 2 . 1 47 47 LEU CA C 13 57.450 0.059 . 1 . . . . . 47 L CA . 52793 2
619 . 2 . 1 47 47 LEU CB C 13 42.568 0.082 . 1 . . . . . 47 L CB . 52793 2
620 . 2 . 1 47 47 LEU CG C 13 26.479 0.000 . 1 . . . . . 47 L CG . 52793 2
621 . 2 . 1 47 47 LEU CD2 C 13 23.340 0.081 . 2 . . . . . 47 L CD2 . 52793 2
622 . 2 . 1 48 48 ALA C C 13 180.689 0.000 . 1 . . . . . 48 A C . 52793 2
623 . 2 . 1 48 48 ALA CA C 13 55.313 0.070 . 1 . . . . . 48 A CA . 52793 2
624 . 2 . 1 48 48 ALA CB C 13 18.642 0.019 . 1 . . . . . 48 A CB . 52793 2
625 . 2 . 1 49 49 GLN C C 13 177.512 0.070 . 1 . . . . . 49 Q C . 52793 2
626 . 2 . 1 49 49 GLN CA C 13 55.856 0.000 . 1 . . . . . 49 Q CA . 52793 2
627 . 2 . 1 49 49 GLN CB C 13 26.629 0.030 . 1 . . . . . 49 Q CB . 52793 2
628 . 2 . 1 49 49 GLN CD C 13 180.015 0.000 . 1 . . . . . 49 Q CD . 52793 2
629 . 2 . 1 50 50 THR C C 13 177.375 0.072 . 1 . . . . . 50 T C . 52793 2
630 . 2 . 1 50 50 THR CA C 13 63.897 0.110 . 1 . . . . . 50 T CA . 52793 2
631 . 2 . 1 50 50 THR CB C 13 69.674 0.051 . 1 . . . . . 50 T CB . 52793 2
632 . 2 . 1 50 50 THR CG2 C 13 23.275 0.049 . 1 . . . . . 50 T CG2 . 52793 2
633 . 2 . 1 51 51 LEU C C 13 176.875 0.097 . 1 . . . . . 51 L C . 52793 2
634 . 2 . 1 51 51 LEU CA C 13 55.818 0.046 . 1 . . . . . 51 L CA . 52793 2
635 . 2 . 1 51 51 LEU CB C 13 38.619 0.105 . 1 . . . . . 51 L CB . 52793 2
636 . 2 . 1 51 51 LEU CG C 13 26.405 0.088 . 1 . . . . . 51 L CG . 52793 2
637 . 2 . 1 51 51 LEU CD1 C 13 24.689 0.028 . 2 . . . . . 51 L CD1 . 52793 2
638 . 2 . 1 51 51 LEU CD2 C 13 23.976 0.014 . 2 . . . . . 51 L CD2 . 52793 2
639 . 2 . 1 52 52 ALA C C 13 177.299 0.034 . 1 . . . . . 52 A C . 52793 2
640 . 2 . 1 52 52 ALA CA C 13 53.137 0.149 . 1 . . . . . 52 A CA . 52793 2
641 . 2 . 1 52 52 ALA CB C 13 18.049 0.049 . 1 . . . . . 52 A CB . 52793 2
642 . 2 . 1 52 52 ALA N N 15 118.929 0.000 . 1 . . . . . 52 A N . 52793 2
643 . 2 . 1 53 53 TYR C C 13 175.416 0.103 . 1 . . . . . 53 Y C . 52793 2
644 . 2 . 1 53 53 TYR CA C 13 57.783 0.030 . 1 . . . . . 53 Y CA . 52793 2
645 . 2 . 1 53 53 TYR CB C 13 41.420 0.091 . 1 . . . . . 53 Y CB . 52793 2
646 . 2 . 1 54 54 ILE C C 13 173.098 0.051 . 1 . . . . . 54 I C . 52793 2
647 . 2 . 1 54 54 ILE CA C 13 57.828 0.123 . 1 . . . . . 54 I CA . 52793 2
648 . 2 . 1 54 54 ILE CB C 13 40.536 0.083 . 1 . . . . . 54 I CB . 52793 2
649 . 2 . 1 54 54 ILE CG1 C 13 27.573 0.128 . 1 . . . . . 54 I CG1 . 52793 2
650 . 2 . 1 54 54 ILE CG2 C 13 16.384 0.077 . 1 . . . . . 54 I CG2 . 52793 2
651 . 2 . 1 54 54 ILE CD1 C 13 13.511 0.109 . 1 . . . . . 54 I CD1 . 52793 2
652 . 2 . 1 55 55 PRO C C 13 176.837 0.075 . 1 . . . . . 55 P C . 52793 2
653 . 2 . 1 55 55 PRO CA C 13 63.319 0.063 . 1 . . . . . 55 P CA . 52793 2
654 . 2 . 1 55 55 PRO CB C 13 33.017 0.133 . 1 . . . . . 55 P CB . 52793 2
655 . 2 . 1 55 55 PRO CG C 13 29.016 0.073 . 1 . . . . . 55 P CG . 52793 2
656 . 2 . 1 55 55 PRO CD C 13 51.794 0.068 . 1 . . . . . 55 P CD . 52793 2
657 . 2 . 1 56 56 THR C C 13 175.951 0.121 . 1 . . . . . 56 T C . 52793 2
658 . 2 . 1 56 56 THR CA C 13 66.640 0.057 . 1 . . . . . 56 T CA . 52793 2
659 . 2 . 1 56 56 THR CB C 13 68.674 0.054 . 1 . . . . . 56 T CB . 52793 2
660 . 2 . 1 56 56 THR CG2 C 13 21.806 0.049 . 1 . . . . . 56 T CG2 . 52793 2
661 . 2 . 1 57 57 GLY C C 13 175.196 0.126 . 1 . . . . . 57 G C . 52793 2
662 . 2 . 1 57 57 GLY CA C 13 47.519 0.072 . 1 . . . . . 57 G CA . 52793 2
663 . 2 . 1 57 57 GLY N N 15 107.045 0.024 . 1 . . . . . 57 G N . 52793 2
664 . 2 . 1 58 58 ILE CA C 13 63.444 0.123 . 1 . . . . . 58 I CA . 52793 2
665 . 2 . 1 58 58 ILE CB C 13 37.691 0.178 . 1 . . . . . 58 I CB . 52793 2
666 . 2 . 1 58 58 ILE CG1 C 13 27.480 0.067 . 1 . . . . . 58 I CG1 . 52793 2
667 . 2 . 1 58 58 ILE CG2 C 13 17.748 0.173 . 1 . . . . . 58 I CG2 . 52793 2
668 . 2 . 1 58 58 ILE N N 15 117.930 0.000 . 1 . . . . . 58 I N . 52793 2
669 . 2 . 1 59 59 ALA CA C 13 54.847 0.127 . 1 . . . . . 59 A CA . 52793 2
670 . 2 . 1 59 59 ALA CB C 13 18.619 0.044 . 1 . . . . . 59 A CB . 52793 2
671 . 2 . 1 60 60 TYR C C 13 177.274 0.000 . 1 . . . . . 60 Y C . 52793 2
672 . 2 . 1 60 60 TYR CB C 13 38.003 0.076 . 1 . . . . . 60 Y CB . 52793 2
673 . 2 . 1 60 60 TYR CG C 13 129.853 0.006 . 1 . . . . . 60 Y CG . 52793 2
674 . 2 . 1 60 60 TYR CD2 C 13 132.523 0.005 . 1 . . . . . 60 Y CD2 . 52793 2
675 . 2 . 1 61 61 ALA C C 13 179.832 0.080 . 1 . . . . . 61 A C . 52793 2
676 . 2 . 1 61 61 ALA CA C 13 55.812 0.154 . 1 . . . . . 61 A CA . 52793 2
677 . 2 . 1 61 61 ALA CB C 13 18.397 0.161 . 1 . . . . . 61 A CB . 52793 2
678 . 2 . 1 61 61 ALA N N 15 117.992 0.039 . 1 . . . . . 61 A N . 52793 2
679 . 2 . 1 62 62 ILE C C 13 176.908 0.129 . 1 . . . . . 62 I C . 52793 2
680 . 2 . 1 62 62 ILE CA C 13 66.464 0.087 . 1 . . . . . 62 I CA . 52793 2
681 . 2 . 1 62 62 ILE CB C 13 38.313 0.169 . 1 . . . . . 62 I CB . 52793 2
682 . 2 . 1 62 62 ILE CG1 C 13 30.406 0.160 . 1 . . . . . 62 I CG1 . 52793 2
683 . 2 . 1 62 62 ILE CG2 C 13 18.027 0.069 . 1 . . . . . 62 I CG2 . 52793 2
684 . 2 . 1 62 62 ILE CD1 C 13 15.285 0.181 . 1 . . . . . 62 I CD1 . 52793 2
685 . 2 . 1 62 62 ILE N N 15 116.498 0.034 . 1 . . . . . 62 I N . 52793 2
686 . 2 . 1 63 63 TRP CA C 13 61.451 0.076 . 1 . . . . . 63 W CA . 52793 2
687 . 2 . 1 63 63 TRP CB C 13 28.881 0.141 . 1 . . . . . 63 W CB . 52793 2
688 . 2 . 1 65 65 GLY C C 13 175.229 0.034 . 1 . . . . . 65 G C . 52793 2
689 . 2 . 1 65 65 GLY CA C 13 49.066 0.000 . 1 . . . . . 65 G CA . 52793 2
690 . 2 . 1 66 66 VAL C C 13 178.003 0.027 . 1 . . . . . 66 V C . 52793 2
691 . 2 . 1 66 66 VAL CA C 13 66.707 0.055 . 1 . . . . . 66 V CA . 52793 2
692 . 2 . 1 66 66 VAL CB C 13 30.266 0.054 . 1 . . . . . 66 V CB . 52793 2
693 . 2 . 1 66 66 VAL N N 15 121.039 0.000 . 1 . . . . . 66 V N . 52793 2
694 . 2 . 1 67 67 GLY C C 13 175.478 0.000 . 1 . . . . . 67 G C . 52793 2
695 . 2 . 1 67 67 GLY CA C 13 47.821 0.099 . 1 . . . . . 67 G CA . 52793 2
696 . 2 . 1 67 67 GLY N N 15 105.963 0.074 . 1 . . . . . 67 G N . 52793 2
697 . 2 . 1 68 68 ILE C C 13 179.138 0.055 . 1 . . . . . 68 I C . 52793 2
698 . 2 . 1 68 68 ILE CA C 13 64.408 0.151 . 1 . . . . . 68 I CA . 52793 2
699 . 2 . 1 68 68 ILE CB C 13 36.886 0.114 . 1 . . . . . 68 I CB . 52793 2
700 . 2 . 1 68 68 ILE CG1 C 13 27.427 0.170 . 1 . . . . . 68 I CG1 . 52793 2
701 . 2 . 1 68 68 ILE CG2 C 13 17.390 0.108 . 1 . . . . . 68 I CG2 . 52793 2
702 . 2 . 1 69 69 VAL C C 13 178.215 0.015 . 1 . . . . . 69 V C . 52793 2
703 . 2 . 1 69 69 VAL CA C 13 67.258 0.075 . 1 . . . . . 69 V CA . 52793 2
704 . 2 . 1 69 69 VAL CB C 13 31.964 0.060 . 1 . . . . . 69 V CB . 52793 2
705 . 2 . 1 69 69 VAL CG1 C 13 23.295 0.058 . 2 . . . . . 69 V CG1 . 52793 2
706 . 2 . 1 69 69 VAL CG2 C 13 21.885 0.098 . 2 . . . . . 69 V CG2 . 52793 2
707 . 2 . 1 69 69 VAL N N 15 122.594 0.101 . 1 . . . . . 69 V N . 52793 2
708 . 2 . 1 70 70 LEU C C 13 179.212 0.086 . 1 . . . . . 70 L C . 52793 2
709 . 2 . 1 70 70 LEU CA C 13 58.398 0.056 . 1 . . . . . 70 L CA . 52793 2
710 . 2 . 1 70 70 LEU CB C 13 42.220 0.066 . 1 . . . . . 70 L CB . 52793 2
711 . 2 . 1 70 70 LEU CG C 13 27.289 0.107 . 1 . . . . . 70 L CG . 52793 2
712 . 2 . 1 70 70 LEU CD1 C 13 24.239 0.071 . 2 . . . . . 70 L CD1 . 52793 2
713 . 2 . 1 71 71 ILE C C 13 178.972 0.130 . 1 . . . . . 71 I C . 52793 2
714 . 2 . 1 71 71 ILE CA C 13 66.166 0.082 . 1 . . . . . 71 I CA . 52793 2
715 . 2 . 1 71 71 ILE CB C 13 38.627 0.133 . 1 . . . . . 71 I CB . 52793 2
716 . 2 . 1 71 71 ILE CG1 C 13 31.714 0.170 . 1 . . . . . 71 I CG1 . 52793 2
717 . 2 . 1 71 71 ILE CG2 C 13 18.157 0.071 . 1 . . . . . 71 I CG2 . 52793 2
718 . 2 . 1 71 71 ILE CD1 C 13 14.401 0.096 . 1 . . . . . 71 I CD1 . 52793 2
719 . 2 . 1 71 71 ILE N N 15 119.507 0.000 . 1 . . . . . 71 I N . 52793 2
720 . 2 . 1 72 72 SER CB C 13 62.656 0.000 . 1 . . . . . 72 S CB . 52793 2
721 . 2 . 1 73 73 LEU C C 13 179.243 0.176 . 1 . . . . . 73 L C . 52793 2
722 . 2 . 1 73 73 LEU CA C 13 57.796 0.116 . 1 . . . . . 73 L CA . 52793 2
723 . 2 . 1 73 73 LEU CB C 13 41.411 0.116 . 1 . . . . . 73 L CB . 52793 2
724 . 2 . 1 73 73 LEU CG C 13 26.652 0.153 . 1 . . . . . 73 L CG . 52793 2
725 . 2 . 1 73 73 LEU CD1 C 13 24.648 0.008 . 2 . . . . . 73 L CD1 . 52793 2
726 . 2 . 1 74 74 LEU C C 13 179.323 0.102 . 1 . . . . . 74 L C . 52793 2
727 . 2 . 1 74 74 LEU CA C 13 57.867 0.001 . 1 . . . . . 74 L CA . 52793 2
728 . 2 . 1 74 74 LEU CB C 13 41.627 0.080 . 1 . . . . . 74 L CB . 52793 2
729 . 2 . 1 74 74 LEU CG C 13 26.517 0.058 . 1 . . . . . 74 L CG . 52793 2
730 . 2 . 1 74 74 LEU CD2 C 13 24.169 0.000 . 2 . . . . . 74 L CD2 . 52793 2
731 . 2 . 1 75 75 SER C C 13 176.960 0.000 . 1 . . . . . 75 S C . 52793 2
732 . 2 . 1 75 75 SER CB C 13 62.992 0.059 . 1 . . . . . 75 S CB . 52793 2
733 . 2 . 1 76 76 TRP C C 13 179.096 0.047 . 1 . . . . . 76 W C . 52793 2
734 . 2 . 1 76 76 TRP CA C 13 59.332 0.072 . 1 . . . . . 76 W CA . 52793 2
735 . 2 . 1 76 76 TRP CB C 13 28.594 0.090 . 1 . . . . . 76 W CB . 52793 2
736 . 2 . 1 76 76 TRP CD1 C 13 125.432 0.000 . 1 . . . . . 76 W CD1 . 52793 2
737 . 2 . 1 77 77 GLY C C 13 173.443 0.070 . 1 . . . . . 77 G C . 52793 2
738 . 2 . 1 77 77 GLY CA C 13 47.955 0.087 . 1 . . . . . 77 G CA . 52793 2
739 . 2 . 1 77 77 GLY N N 15 104.444 0.000 . 1 . . . . . 77 G N . 52793 2
740 . 2 . 1 78 78 PHE C C 13 175.930 0.000 . 1 . . . . . 78 F C . 52793 2
741 . 2 . 1 79 79 PHE C C 13 177.099 0.071 . 1 . . . . . 79 F C . 52793 2
742 . 2 . 1 79 79 PHE CA C 13 56.316 0.000 . 1 . . . . . 79 F CA . 52793 2
743 . 2 . 1 79 79 PHE CB C 13 39.513 0.024 . 1 . . . . . 79 F CB . 52793 2
744 . 2 . 1 80 80 GLY C C 13 174.710 0.062 . 1 . . . . . 80 G C . 52793 2
745 . 2 . 1 80 80 GLY CA C 13 46.967 0.117 . 1 . . . . . 80 G CA . 52793 2
746 . 2 . 1 80 80 GLY N N 15 110.084 0.000 . 1 . . . . . 80 G N . 52793 2
747 . 2 . 1 81 81 GLN C C 13 175.106 0.070 . 1 . . . . . 81 Q C . 52793 2
748 . 2 . 1 81 81 GLN CA C 13 55.991 0.096 . 1 . . . . . 81 Q CA . 52793 2
749 . 2 . 1 81 81 GLN CB C 13 29.014 0.148 . 1 . . . . . 81 Q CB . 52793 2
750 . 2 . 1 81 81 GLN CG C 13 33.511 0.135 . 1 . . . . . 81 Q CG . 52793 2
751 . 2 . 1 81 81 GLN CD C 13 179.694 0.046 . 1 . . . . . 81 Q CD . 52793 2
752 . 2 . 1 82 82 ARG C C 13 176.472 0.045 . 1 . . . . . 82 R C . 52793 2
753 . 2 . 1 82 82 ARG CA C 13 55.620 0.093 . 1 . . . . . 82 R CA . 52793 2
754 . 2 . 1 82 82 ARG CB C 13 30.671 0.067 . 1 . . . . . 82 R CB . 52793 2
755 . 2 . 1 82 82 ARG CG C 13 27.087 0.103 . 1 . . . . . 82 R CG . 52793 2
756 . 2 . 1 82 82 ARG CD C 13 43.429 0.042 . 1 . . . . . 82 R CD . 52793 2
757 . 2 . 1 83 83 LEU C C 13 174.532 0.000 . 1 . . . . . 83 L C . 52793 2
758 . 2 . 1 83 83 LEU CB C 13 41.767 0.064 . 1 . . . . . 83 L CB . 52793 2
759 . 2 . 1 83 83 LEU CG C 13 27.954 0.015 . 1 . . . . . 83 L CG . 52793 2
760 . 2 . 1 83 83 LEU CD1 C 13 25.504 0.050 . 2 . . . . . 83 L CD1 . 52793 2
761 . 2 . 1 84 84 ASP C C 13 174.950 0.044 . 1 . . . . . 84 D C . 52793 2
762 . 2 . 1 84 84 ASP CA C 13 51.038 0.089 . 1 . . . . . 84 D CA . 52793 2
763 . 2 . 1 84 84 ASP CB C 13 42.705 0.088 . 1 . . . . . 84 D CB . 52793 2
764 . 2 . 1 84 84 ASP CG C 13 180.669 0.123 . 1 . . . . . 84 D CG . 52793 2
765 . 2 . 1 84 84 ASP N N 15 118.847 0.000 . 1 . . . . . 84 D N . 52793 2
766 . 2 . 1 85 85 LEU C C 13 175.803 0.173 . 1 . . . . . 85 L C . 52793 2
767 . 2 . 1 85 85 LEU CA C 13 59.861 0.178 . 1 . . . . . 85 L CA . 52793 2
768 . 2 . 1 85 85 LEU CB C 13 40.102 0.114 . 1 . . . . . 85 L CB . 52793 2
769 . 2 . 1 85 85 LEU CG C 13 26.624 0.105 . 1 . . . . . 85 L CG . 52793 2
770 . 2 . 1 85 85 LEU CD1 C 13 25.416 0.101 . 2 . . . . . 85 L CD1 . 52793 2
771 . 2 . 1 85 85 LEU N N 15 118.796 0.067 . 1 . . . . . 85 L N . 52793 2
772 . 2 . 1 86 86 PRO C C 13 177.939 0.059 . 1 . . . . . 86 P C . 52793 2
773 . 2 . 1 86 86 PRO CA C 13 66.336 0.121 . 1 . . . . . 86 P CA . 52793 2
774 . 2 . 1 86 86 PRO CB C 13 30.982 0.125 . 1 . . . . . 86 P CB . 52793 2
775 . 2 . 1 86 86 PRO CG C 13 28.539 0.031 . 1 . . . . . 86 P CG . 52793 2
776 . 2 . 1 87 87 ALA C C 13 180.259 0.044 . 1 . . . . . 87 A C . 52793 2
777 . 2 . 1 87 87 ALA CA C 13 56.025 0.074 . 1 . . . . . 87 A CA . 52793 2
778 . 2 . 1 87 87 ALA CB C 13 17.514 0.046 . 1 . . . . . 87 A CB . 52793 2
779 . 2 . 1 88 88 ILE C C 13 178.953 0.093 . 1 . . . . . 88 I C . 52793 2
780 . 2 . 1 88 88 ILE CA C 13 64.451 0.042 . 1 . . . . . 88 I CA . 52793 2
781 . 2 . 1 88 88 ILE CB C 13 37.053 0.096 . 1 . . . . . 88 I CB . 52793 2
782 . 2 . 1 88 88 ILE CG1 C 13 29.727 0.153 . 1 . . . . . 88 I CG1 . 52793 2
783 . 2 . 1 88 88 ILE CG2 C 13 17.875 0.072 . 1 . . . . . 88 I CG2 . 52793 2
784 . 2 . 1 88 88 ILE CD1 C 13 13.363 0.134 . 1 . . . . . 88 I CD1 . 52793 2
785 . 2 . 1 89 89 ILE CA C 13 65.674 0.028 . 1 . . . . . 89 I CA . 52793 2
786 . 2 . 1 89 89 ILE CB C 13 36.234 0.136 . 1 . . . . . 89 I CB . 52793 2
787 . 2 . 1 89 89 ILE CG1 C 13 29.526 0.076 . 1 . . . . . 89 I CG1 . 52793 2
788 . 2 . 1 89 89 ILE CG2 C 13 16.830 0.126 . 1 . . . . . 89 I CG2 . 52793 2
789 . 2 . 1 89 89 ILE CD1 C 13 14.726 0.073 . 1 . . . . . 89 I CD1 . 52793 2
790 . 2 . 1 90 90 GLY C C 13 175.573 0.046 . 1 . . . . . 90 G C . 52793 2
791 . 2 . 1 90 90 GLY CA C 13 48.178 0.074 . 1 . . . . . 90 G CA . 52793 2
792 . 2 . 1 90 90 GLY N N 15 107.866 0.000 . 1 . . . . . 90 G N . 52793 2
793 . 2 . 1 91 91 MET C C 13 178.646 0.042 . 1 . . . . . 91 M C . 52793 2
794 . 2 . 1 91 91 MET CA C 13 60.306 0.093 . 1 . . . . . 91 M CA . 52793 2
795 . 2 . 1 91 91 MET CB C 13 33.035 0.101 . 1 . . . . . 91 M CB . 52793 2
796 . 2 . 1 91 91 MET CG C 13 34.230 0.107 . 1 . . . . . 91 M CG . 52793 2
797 . 2 . 1 91 91 MET CE C 13 17.092 0.101 . 1 . . . . . 91 M CE . 52793 2
798 . 2 . 1 91 91 MET N N 15 119.674 0.000 . 1 . . . . . 91 M N . 52793 2
799 . 2 . 1 92 92 MET C C 13 177.909 0.054 . 1 . . . . . 92 M C . 52793 2
800 . 2 . 1 92 92 MET CA C 13 60.269 0.035 . 1 . . . . . 92 M CA . 52793 2
801 . 2 . 1 92 92 MET CB C 13 33.140 0.142 . 1 . . . . . 92 M CB . 52793 2
802 . 2 . 1 92 92 MET CG C 13 33.938 0.057 . 1 . . . . . 92 M CG . 52793 2
803 . 2 . 1 92 92 MET N N 15 119.298 0.066 . 1 . . . . . 92 M N . 52793 2
804 . 2 . 1 93 93 LEU C C 13 178.539 0.000 . 1 . . . . . 93 L C . 52793 2
805 . 2 . 1 93 93 LEU CA C 13 58.479 0.069 . 1 . . . . . 93 L CA . 52793 2
806 . 2 . 1 93 93 LEU CG C 13 26.844 0.056 . 1 . . . . . 93 L CG . 52793 2
807 . 2 . 1 93 93 LEU CD2 C 13 24.371 0.105 . 2 . . . . . 93 L CD2 . 52793 2
808 . 2 . 1 94 94 ILE C C 13 178.024 0.096 . 1 . . . . . 94 I C . 52793 2
809 . 2 . 1 94 94 ILE CA C 13 65.423 0.000 . 1 . . . . . 94 I CA . 52793 2
810 . 2 . 1 94 94 ILE CB C 13 37.276 0.119 . 1 . . . . . 94 I CB . 52793 2
811 . 2 . 1 94 94 ILE CG1 C 13 29.199 0.103 . 1 . . . . . 94 I CG1 . 52793 2
812 . 2 . 1 94 94 ILE CG2 C 13 17.395 0.091 . 1 . . . . . 94 I CG2 . 52793 2
813 . 2 . 1 94 94 ILE CD1 C 13 12.487 0.122 . 1 . . . . . 94 I CD1 . 52793 2
814 . 2 . 1 95 95 CYS C C 13 176.362 0.086 . 1 . . . . . 95 C C . 52793 2
815 . 2 . 1 95 95 CYS CA C 13 65.644 0.071 . 1 . . . . . 95 C CA . 52793 2
816 . 2 . 1 95 95 CYS CB C 13 26.774 0.100 . 1 . . . . . 95 C CB . 52793 2
817 . 2 . 1 95 95 CYS N N 15 116.192 0.044 . 1 . . . . . 95 C N . 52793 2
818 . 2 . 1 96 96 ALA C C 13 178.865 0.067 . 1 . . . . . 96 A C . 52793 2
819 . 2 . 1 96 96 ALA CA C 13 55.505 0.144 . 1 . . . . . 96 A CA . 52793 2
820 . 2 . 1 96 96 ALA CB C 13 18.339 0.134 . 1 . . . . . 96 A CB . 52793 2
821 . 2 . 1 96 96 ALA N N 15 120.134 0.042 . 1 . . . . . 96 A N . 52793 2
822 . 2 . 1 97 97 GLY C C 13 175.060 0.095 . 1 . . . . . 97 G C . 52793 2
823 . 2 . 1 97 97 GLY CA C 13 49.210 0.111 . 1 . . . . . 97 G CA . 52793 2
824 . 2 . 1 97 97 GLY N N 15 105.712 0.065 . 1 . . . . . 97 G N . 52793 2
825 . 2 . 1 98 98 VAL C C 13 177.553 0.000 . 1 . . . . . 98 V C . 52793 2
826 . 2 . 1 98 98 VAL CA C 13 67.342 0.067 . 1 . . . . . 98 V CA . 52793 2
827 . 2 . 1 98 98 VAL CB C 13 32.062 0.047 . 1 . . . . . 98 V CB . 52793 2
828 . 2 . 1 98 98 VAL CG1 C 13 21.865 0.076 . 2 . . . . . 98 V CG1 . 52793 2
829 . 2 . 1 98 98 VAL CG2 C 13 23.360 0.051 . 2 . . . . . 98 V CG2 . 52793 2
830 . 2 . 1 98 98 VAL N N 15 120.205 0.000 . 1 . . . . . 98 V N . 52793 2
831 . 2 . 1 99 99 LEU CA C 13 59.265 0.059 . 1 . . . . . 99 L CA . 52793 2
832 . 2 . 1 99 99 LEU CB C 13 41.559 0.063 . 1 . . . . . 99 L CB . 52793 2
833 . 2 . 1 100 100 ILE C C 13 177.812 0.130 . 1 . . . . . 100 I C . 52793 2
834 . 2 . 1 100 100 ILE CA C 13 66.021 0.075 . 1 . . . . . 100 I CA . 52793 2
835 . 2 . 1 100 100 ILE CB C 13 37.498 0.051 . 1 . . . . . 100 I CB . 52793 2
836 . 2 . 1 100 100 ILE CG1 C 13 29.904 0.102 . 1 . . . . . 100 I CG1 . 52793 2
837 . 2 . 1 100 100 ILE CG2 C 13 16.780 0.091 . 1 . . . . . 100 I CG2 . 52793 2
838 . 2 . 1 100 100 ILE CD1 C 13 13.941 0.134 . 1 . . . . . 100 I CD1 . 52793 2
839 . 2 . 1 101 101 ILE C C 13 177.728 0.096 . 1 . . . . . 101 I C . 52793 2
840 . 2 . 1 101 101 ILE CA C 13 65.909 0.105 . 1 . . . . . 101 I CA . 52793 2
841 . 2 . 1 101 101 ILE CB C 13 38.539 0.148 . 1 . . . . . 101 I CB . 52793 2
842 . 2 . 1 101 101 ILE CG1 C 13 29.745 0.141 . 1 . . . . . 101 I CG1 . 52793 2
843 . 2 . 1 101 101 ILE CG2 C 13 18.505 0.164 . 1 . . . . . 101 I CG2 . 52793 2
844 . 2 . 1 101 101 ILE CD1 C 13 14.727 0.081 . 1 . . . . . 101 I CD1 . 52793 2
845 . 2 . 1 102 102 ASN C C 13 176.446 0.117 . 1 . . . . . 102 N C . 52793 2
846 . 2 . 1 102 102 ASN CA C 13 56.799 0.057 . 1 . . . . . 102 N CA . 52793 2
847 . 2 . 1 102 102 ASN CB C 13 39.696 0.080 . 1 . . . . . 102 N CB . 52793 2
848 . 2 . 1 102 102 ASN N N 15 115.553 0.176 . 1 . . . . . 102 N N . 52793 2
849 . 2 . 1 103 103 LEU C C 13 176.915 0.064 . 1 . . . . . 103 L C . 52793 2
850 . 2 . 1 103 103 LEU CA C 13 55.781 0.098 . 1 . . . . . 103 L CA . 52793 2
851 . 2 . 1 103 103 LEU CB C 13 41.480 0.087 . 1 . . . . . 103 L CB . 52793 2
852 . 2 . 1 103 103 LEU CD1 C 13 25.073 0.003 . 2 . . . . . 103 L CD1 . 52793 2
853 . 2 . 1 104 104 LEU C C 13 177.001 0.092 . 1 . . . . . 104 L C . 52793 2
854 . 2 . 1 104 104 LEU CA C 13 54.729 0.119 . 1 . . . . . 104 L CA . 52793 2
855 . 2 . 1 104 104 LEU CB C 13 41.920 0.070 . 1 . . . . . 104 L CB . 52793 2
856 . 2 . 1 104 104 LEU CG C 13 27.071 0.098 . 1 . . . . . 104 L CG . 52793 2
857 . 2 . 1 104 104 LEU CD1 C 13 25.987 0.147 . 2 . . . . . 104 L CD1 . 52793 2
858 . 2 . 1 104 104 LEU CD2 C 13 23.656 0.031 . 2 . . . . . 104 L CD2 . 52793 2
859 . 2 . 1 105 105 SER C C 13 176.402 0.032 . 1 . . . . . 105 S C . 52793 2
860 . 2 . 1 105 105 SER CA C 13 57.577 0.040 . 1 . . . . . 105 S CA . 52793 2
861 . 2 . 1 105 105 SER CB C 13 63.890 0.000 . 1 . . . . . 105 S CB . 52793 2
862 . 2 . 1 106 106 ARG C C 13 177.345 0.069 . 1 . . . . . 106 R C . 52793 2
863 . 2 . 1 106 106 ARG CA C 13 55.005 0.084 . 1 . . . . . 106 R CA . 52793 2
864 . 2 . 1 107 107 SER CA C 13 58.515 0.033 . 1 . . . . . 107 S CA . 52793 2
865 . 2 . 1 107 107 SER CB C 13 64.450 0.034 . 1 . . . . . 107 S CB . 52793 2
866 . 2 . 1 108 108 THR CB C 13 68.826 0.064 . 1 . . . . . 108 T CB . 52793 2
867 . 2 . 1 108 108 THR CG2 C 13 22.348 0.037 . 1 . . . . . 108 T CG2 . 52793 2
868 . 2 . 1 109 109 PRO C C 13 175.634 0.029 . 1 . . . . . 109 P C . 52793 2
869 . 2 . 1 109 109 PRO CA C 13 64.229 0.130 . 1 . . . . . 109 P CA . 52793 2
870 . 2 . 1 109 109 PRO CB C 13 31.694 0.179 . 1 . . . . . 109 P CB . 52793 2
871 . 2 . 1 109 109 PRO CD C 13 50.890 0.054 . 1 . . . . . 109 P CD . 52793 2
872 . 2 . 1 110 110 HIS C C 13 174.985 0.023 . 1 . . . . . 110 H C . 52793 2
873 . 2 . 1 110 110 HIS CA C 13 57.021 0.005 . 1 . . . . . 110 H CA . 52793 2
874 . 2 . 1 110 110 HIS CB C 13 30.361 0.032 . 1 . . . . . 110 H CB . 52793 2
875 . 2 . 1 110 110 HIS CG C 13 132.103 0.012 . 1 . . . . . 110 H CG . 52793 2
stop_
save_
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 52793
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name '1,3 glycerol above the phase transition'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
14 '3D CCC' . . . 52793 3
15 '2D DARR' . . . 52793 3
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52793 3
2 $software_2 . . 52793 3
4 $software_4 . . 52793 3
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET C C 13 174.927 0.082 . 1 . . . . . 1 M C . 52793 3
2 . 1 . 1 1 1 MET CA C 13 54.082 0.038 . 1 . . . . . 1 M CA . 52793 3
3 . 1 . 1 1 1 MET CB C 13 31.901 0.000 . 1 . . . . . 1 M CB . 52793 3
4 . 1 . 1 2 2 ASN C C 13 174.935 0.010 . 1 . . . . . 2 N C . 52793 3
5 . 1 . 1 2 2 ASN CB C 13 38.874 0.034 . 1 . . . . . 2 N CB . 52793 3
6 . 1 . 1 3 3 PRO C C 13 177.592 0.099 . 1 . . . . . 3 P C . 52793 3
7 . 1 . 1 3 3 PRO CB C 13 31.005 0.116 . 1 . . . . . 3 P CB . 52793 3
8 . 1 . 1 5 5 ILE CA C 13 64.155 0.085 . 1 . . . . . 5 I CA . 52793 3
9 . 1 . 1 5 5 ILE CG1 C 13 28.677 0.129 . 1 . . . . . 5 I CG1 . 52793 3
10 . 1 . 1 5 5 ILE CG2 C 13 18.485 0.118 . 1 . . . . . 5 I CG2 . 52793 3
11 . 1 . 1 5 5 ILE CD1 C 13 13.273 0.125 . 1 . . . . . 5 I CD1 . 52793 3
12 . 1 . 1 7 7 LEU C C 13 179.080 0.020 . 1 . . . . . 7 L C . 52793 3
13 . 1 . 1 7 7 LEU CA C 13 57.457 0.090 . 1 . . . . . 7 L CA . 52793 3
14 . 1 . 1 7 7 LEU CD2 C 13 24.489 0.051 . 2 . . . . . 7 L CD2 . 52793 3
15 . 1 . 1 9 9 GLY C C 13 174.670 0.000 . 1 . . . . . 9 G C . 52793 3
16 . 1 . 1 10 10 ALA C C 13 182.072 0.028 . 1 . . . . . 10 A C . 52793 3
17 . 1 . 1 10 10 ALA CA C 13 55.703 0.084 . 1 . . . . . 10 A CA . 52793 3
18 . 1 . 1 10 10 ALA CB C 13 18.656 0.152 . 1 . . . . . 10 A CB . 52793 3
19 . 1 . 1 11 11 ILE CA C 13 64.629 0.047 . 1 . . . . . 11 I CA . 52793 3
20 . 1 . 1 11 11 ILE CB C 13 38.398 0.056 . 1 . . . . . 11 I CB . 52793 3
21 . 1 . 1 11 11 ILE CG2 C 13 17.825 0.057 . 1 . . . . . 11 I CG2 . 52793 3
22 . 1 . 1 12 12 LEU CA C 13 58.454 0.039 . 1 . . . . . 12 L CA . 52793 3
23 . 1 . 1 12 12 LEU CB C 13 41.140 0.000 . 1 . . . . . 12 L CB . 52793 3
24 . 1 . 1 12 12 LEU CG C 13 27.538 0.000 . 1 . . . . . 12 L CG . 52793 3
25 . 1 . 1 12 12 LEU CD1 C 13 24.287 0.104 . 2 . . . . . 12 L CD1 . 52793 3
26 . 1 . 1 13 13 ALA C C 13 178.347 0.007 . 1 . . . . . 13 A C . 52793 3
27 . 1 . 1 14 14 GLU C C 13 178.541 0.125 . 1 . . . . . 14 E C . 52793 3
28 . 1 . 1 14 14 GLU CA C 13 58.415 0.024 . 1 . . . . . 14 E CA . 52793 3
29 . 1 . 1 14 14 GLU CB C 13 26.929 0.104 . 1 . . . . . 14 E CB . 52793 3
30 . 1 . 1 16 16 ILE C C 13 177.798 0.137 . 1 . . . . . 16 I C . 52793 3
31 . 1 . 1 16 16 ILE CA C 13 65.001 0.072 . 1 . . . . . 16 I CA . 52793 3
32 . 1 . 1 16 16 ILE CB C 13 37.852 0.050 . 1 . . . . . 16 I CB . 52793 3
33 . 1 . 1 16 16 ILE CG1 C 13 29.127 0.000 . 1 . . . . . 16 I CG1 . 52793 3
34 . 1 . 1 16 16 ILE CG2 C 13 17.648 0.073 . 1 . . . . . 16 I CG2 . 52793 3
35 . 1 . 1 16 16 ILE CD1 C 13 13.093 0.074 . 1 . . . . . 16 I CD1 . 52793 3
36 . 1 . 1 18 18 THR C C 13 174.763 0.042 . 1 . . . . . 18 T C . 52793 3
37 . 1 . 1 18 18 THR CA C 13 65.914 0.109 . 1 . . . . . 18 T CA . 52793 3
38 . 1 . 1 18 18 THR CB C 13 67.802 0.000 . 1 . . . . . 18 T CB . 52793 3
39 . 1 . 1 18 18 THR CG2 C 13 21.443 0.082 . 1 . . . . . 18 T CG2 . 52793 3
40 . 1 . 1 19 19 THR C C 13 176.800 0.113 . 1 . . . . . 19 T C . 52793 3
41 . 1 . 1 19 19 THR CA C 13 67.212 0.094 . 1 . . . . . 19 T CA . 52793 3
42 . 1 . 1 19 19 THR CB C 13 68.571 0.095 . 1 . . . . . 19 T CB . 52793 3
43 . 1 . 1 19 19 THR CG2 C 13 21.448 0.113 . 1 . . . . . 19 T CG2 . 52793 3
44 . 1 . 1 20 20 LEU CD2 C 13 22.793 0.035 . 2 . . . . . 20 L CD2 . 52793 3
45 . 1 . 1 21 21 MET C C 13 181.587 0.000 . 1 . . . . . 21 M C . 52793 3
46 . 1 . 1 21 21 MET CA C 13 59.565 0.001 . 1 . . . . . 21 M CA . 52793 3
47 . 1 . 1 21 21 MET CB C 13 31.893 0.096 . 1 . . . . . 21 M CB . 52793 3
48 . 1 . 1 22 22 LYS C C 13 178.207 0.094 . 1 . . . . . 22 K C . 52793 3
49 . 1 . 1 22 22 LYS CA C 13 59.629 0.068 . 1 . . . . . 22 K CA . 52793 3
50 . 1 . 1 22 22 LYS CB C 13 30.802 0.148 . 1 . . . . . 22 K CB . 52793 3
51 . 1 . 1 22 22 LYS CG C 13 24.152 0.000 . 1 . . . . . 22 K CG . 52793 3
52 . 1 . 1 22 22 LYS CE C 13 42.069 0.025 . 1 . . . . . 22 K CE . 52793 3
53 . 1 . 1 23 23 PHE CB C 13 38.734 0.000 . 1 . . . . . 23 F CB . 52793 3
54 . 1 . 1 24 24 SER C C 13 173.391 0.112 . 1 . . . . . 24 S C . 52793 3
55 . 1 . 1 24 24 SER CB C 13 63.856 0.023 . 1 . . . . . 24 S CB . 52793 3
56 . 1 . 1 25 25 GLU C C 13 178.124 0.109 . 1 . . . . . 25 E C . 52793 3
57 . 1 . 1 25 25 GLU CA C 13 55.937 0.068 . 1 . . . . . 25 E CA . 52793 3
58 . 1 . 1 25 25 GLU CB C 13 26.470 0.070 . 1 . . . . . 25 E CB . 52793 3
59 . 1 . 1 25 25 GLU CG C 13 35.607 0.188 . 1 . . . . . 25 E CG . 52793 3
60 . 1 . 1 26 26 GLY C C 13 175.449 0.000 . 1 . . . . . 26 G C . 52793 3
61 . 1 . 1 27 27 PHE C C 13 173.608 0.047 . 1 . . . . . 27 F C . 52793 3
62 . 1 . 1 27 27 PHE CB C 13 37.185 0.000 . 1 . . . . . 27 F CB . 52793 3
63 . 1 . 1 28 28 THR C C 13 174.836 0.127 . 1 . . . . . 28 T C . 52793 3
64 . 1 . 1 28 28 THR CA C 13 61.940 0.053 . 1 . . . . . 28 T CA . 52793 3
65 . 1 . 1 28 28 THR CB C 13 70.720 0.037 . 1 . . . . . 28 T CB . 52793 3
66 . 1 . 1 28 28 THR CG2 C 13 21.456 0.083 . 1 . . . . . 28 T CG2 . 52793 3
67 . 1 . 1 29 29 ARG C C 13 178.094 0.080 . 1 . . . . . 29 R C . 52793 3
68 . 1 . 1 29 29 ARG CA C 13 54.051 0.074 . 1 . . . . . 29 R CA . 52793 3
69 . 1 . 1 29 29 ARG CB C 13 31.341 0.079 . 1 . . . . . 29 R CB . 52793 3
70 . 1 . 1 30 30 LEU C C 13 177.302 0.082 . 1 . . . . . 30 L C . 52793 3
71 . 1 . 1 30 30 LEU CA C 13 60.122 0.050 . 1 . . . . . 30 L CA . 52793 3
72 . 1 . 1 30 30 LEU CG C 13 26.615 0.055 . 1 . . . . . 30 L CG . 52793 3
73 . 1 . 1 30 30 LEU CD1 C 13 23.162 0.037 . 2 . . . . . 30 L CD1 . 52793 3
74 . 1 . 1 30 30 LEU CD2 C 13 22.918 0.025 . 2 . . . . . 30 L CD2 . 52793 3
75 . 1 . 1 31 31 TRP C C 13 176.089 0.035 . 1 . . . . . 31 W C . 52793 3
76 . 1 . 1 32 32 PRO C C 13 177.695 0.009 . 1 . . . . . 32 P C . 52793 3
77 . 1 . 1 32 32 PRO CA C 13 65.693 0.063 . 1 . . . . . 32 P CA . 52793 3
78 . 1 . 1 32 32 PRO CB C 13 31.493 0.105 . 1 . . . . . 32 P CB . 52793 3
79 . 1 . 1 32 32 PRO CG C 13 28.747 0.075 . 1 . . . . . 32 P CG . 52793 3
80 . 1 . 1 33 33 SER C C 13 174.891 0.102 . 1 . . . . . 33 S C . 52793 3
81 . 1 . 1 33 33 SER CA C 13 62.602 0.070 . 1 . . . . . 33 S CA . 52793 3
82 . 1 . 1 34 34 VAL C C 13 178.644 0.000 . 1 . . . . . 34 V C . 52793 3
83 . 1 . 1 34 34 VAL CG1 C 13 21.608 0.015 . 2 . . . . . 34 V CG1 . 52793 3
84 . 1 . 1 34 34 VAL CG2 C 13 23.064 0.074 . 2 . . . . . 34 V CG2 . 52793 3
85 . 1 . 1 35 35 GLY C C 13 174.691 0.078 . 1 . . . . . 35 G C . 52793 3
86 . 1 . 1 36 36 THR C C 13 174.760 0.099 . 1 . . . . . 36 T C . 52793 3
87 . 1 . 1 36 36 THR CA C 13 67.057 0.061 . 1 . . . . . 36 T CA . 52793 3
88 . 1 . 1 36 36 THR CB C 13 68.707 0.040 . 1 . . . . . 36 T CB . 52793 3
89 . 1 . 1 36 36 THR CG2 C 13 22.415 0.112 . 1 . . . . . 36 T CG2 . 52793 3
90 . 1 . 1 37 37 ILE C C 13 178.933 0.088 . 1 . . . . . 37 I C . 52793 3
91 . 1 . 1 37 37 ILE CA C 13 64.971 0.054 . 1 . . . . . 37 I CA . 52793 3
92 . 1 . 1 37 37 ILE CB C 13 37.225 0.000 . 1 . . . . . 37 I CB . 52793 3
93 . 1 . 1 37 37 ILE CG1 C 13 29.346 0.065 . 1 . . . . . 37 I CG1 . 52793 3
94 . 1 . 1 37 37 ILE CD1 C 13 14.338 0.064 . 1 . . . . . 37 I CD1 . 52793 3
95 . 1 . 1 38 38 ILE C C 13 177.619 0.137 . 1 . . . . . 38 I C . 52793 3
96 . 1 . 1 38 38 ILE CA C 13 65.574 0.000 . 1 . . . . . 38 I CA . 52793 3
97 . 1 . 1 38 38 ILE CB C 13 38.380 0.056 . 1 . . . . . 38 I CB . 52793 3
98 . 1 . 1 38 38 ILE CG1 C 13 30.224 0.058 . 1 . . . . . 38 I CG1 . 52793 3
99 . 1 . 1 38 38 ILE CG2 C 13 17.629 0.106 . 1 . . . . . 38 I CG2 . 52793 3
100 . 1 . 1 38 38 ILE CD1 C 13 15.289 0.039 . 1 . . . . . 38 I CD1 . 52793 3
101 . 1 . 1 40 40 TYR C C 13 178.769 0.066 . 1 . . . . . 40 Y C . 52793 3
102 . 1 . 1 41 41 CYS C C 13 176.470 0.057 . 1 . . . . . 41 C C . 52793 3
103 . 1 . 1 41 41 CYS CA C 13 65.134 0.000 . 1 . . . . . 41 C CA . 52793 3
104 . 1 . 1 42 42 ALA C C 13 178.585 0.097 . 1 . . . . . 42 A C . 52793 3
105 . 1 . 1 42 42 ALA CA C 13 55.583 0.074 . 1 . . . . . 42 A CA . 52793 3
106 . 1 . 1 43 43 SER C C 13 176.183 0.076 . 1 . . . . . 43 S C . 52793 3
107 . 1 . 1 43 43 SER CA C 13 63.510 0.009 . 1 . . . . . 43 S CA . 52793 3
108 . 1 . 1 45 45 TRP C C 13 178.504 0.013 . 1 . . . . . 45 W C . 52793 3
109 . 1 . 1 45 45 TRP CA C 13 63.115 0.032 . 1 . . . . . 45 W CA . 52793 3
110 . 1 . 1 45 45 TRP CB C 13 27.952 0.000 . 1 . . . . . 45 W CB . 52793 3
111 . 1 . 1 46 46 LEU C C 13 179.213 0.000 . 1 . . . . . 46 L C . 52793 3
112 . 1 . 1 46 46 LEU CA C 13 58.462 0.034 . 1 . . . . . 46 L CA . 52793 3
113 . 1 . 1 46 46 LEU CB C 13 40.788 0.000 . 1 . . . . . 46 L CB . 52793 3
114 . 1 . 1 46 46 LEU CD2 C 13 23.920 0.100 . 2 . . . . . 46 L CD2 . 52793 3
115 . 1 . 1 47 47 LEU C C 13 178.672 0.036 . 1 . . . . . 47 L C . 52793 3
116 . 1 . 1 47 47 LEU CG C 13 26.723 0.000 . 1 . . . . . 47 L CG . 52793 3
117 . 1 . 1 47 47 LEU CD1 C 13 24.536 0.105 . 2 . . . . . 47 L CD1 . 52793 3
118 . 1 . 1 47 47 LEU CD2 C 13 23.099 0.106 . 2 . . . . . 47 L CD2 . 52793 3
119 . 1 . 1 48 48 ALA C C 13 180.209 0.000 . 1 . . . . . 48 A C . 52793 3
120 . 1 . 1 48 48 ALA CA C 13 54.742 0.013 . 1 . . . . . 48 A CA . 52793 3
121 . 1 . 1 49 49 GLN CA C 13 56.397 0.036 . 1 . . . . . 49 Q CA . 52793 3
122 . 1 . 1 50 50 THR C C 13 177.133 0.022 . 1 . . . . . 50 T C . 52793 3
123 . 1 . 1 50 50 THR CA C 13 63.841 0.069 . 1 . . . . . 50 T CA . 52793 3
124 . 1 . 1 50 50 THR CB C 13 69.705 0.018 . 1 . . . . . 50 T CB . 52793 3
125 . 1 . 1 50 50 THR CG2 C 13 23.122 0.051 . 1 . . . . . 50 T CG2 . 52793 3
126 . 1 . 1 51 51 LEU CA C 13 55.830 0.059 . 1 . . . . . 51 L CA . 52793 3
127 . 1 . 1 51 51 LEU CG C 13 26.257 0.047 . 1 . . . . . 51 L CG . 52793 3
128 . 1 . 1 51 51 LEU CD2 C 13 23.040 0.000 . 2 . . . . . 51 L CD2 . 52793 3
129 . 1 . 1 52 52 ALA C C 13 177.067 0.078 . 1 . . . . . 52 A C . 52793 3
130 . 1 . 1 52 52 ALA CA C 13 52.791 0.027 . 1 . . . . . 52 A CA . 52793 3
131 . 1 . 1 52 52 ALA CB C 13 17.792 0.157 . 1 . . . . . 52 A CB . 52793 3
132 . 1 . 1 53 53 TYR C C 13 175.786 0.141 . 1 . . . . . 53 Y C . 52793 3
133 . 1 . 1 54 54 ILE C C 13 174.251 0.060 . 1 . . . . . 54 I C . 52793 3
134 . 1 . 1 54 54 ILE CA C 13 57.736 0.062 . 1 . . . . . 54 I CA . 52793 3
135 . 1 . 1 54 54 ILE CB C 13 39.969 0.000 . 1 . . . . . 54 I CB . 52793 3
136 . 1 . 1 54 54 ILE CG1 C 13 26.718 0.041 . 1 . . . . . 54 I CG1 . 52793 3
137 . 1 . 1 54 54 ILE CG2 C 13 17.856 0.097 . 1 . . . . . 54 I CG2 . 52793 3
138 . 1 . 1 54 54 ILE CD1 C 13 13.677 0.001 . 1 . . . . . 54 I CD1 . 52793 3
139 . 1 . 1 55 55 PRO C C 13 177.848 0.070 . 1 . . . . . 55 P C . 52793 3
140 . 1 . 1 55 55 PRO CA C 13 63.028 0.000 . 1 . . . . . 55 P CA . 52793 3
141 . 1 . 1 55 55 PRO CB C 13 32.858 0.061 . 1 . . . . . 55 P CB . 52793 3
142 . 1 . 1 55 55 PRO CG C 13 27.950 0.019 . 1 . . . . . 55 P CG . 52793 3
143 . 1 . 1 56 56 THR C C 13 175.726 0.081 . 1 . . . . . 56 T C . 52793 3
144 . 1 . 1 56 56 THR CB C 13 68.745 0.081 . 1 . . . . . 56 T CB . 52793 3
145 . 1 . 1 56 56 THR CG2 C 13 22.108 0.165 . 1 . . . . . 56 T CG2 . 52793 3
146 . 1 . 1 58 58 ILE C C 13 176.667 0.056 . 1 . . . . . 58 I C . 52793 3
147 . 1 . 1 58 58 ILE CA C 13 63.087 0.142 . 1 . . . . . 58 I CA . 52793 3
148 . 1 . 1 58 58 ILE CB C 13 38.123 0.032 . 1 . . . . . 58 I CB . 52793 3
149 . 1 . 1 58 58 ILE CG1 C 13 29.121 0.054 . 1 . . . . . 58 I CG1 . 52793 3
150 . 1 . 1 58 58 ILE CG2 C 13 17.809 0.059 . 1 . . . . . 58 I CG2 . 52793 3
151 . 1 . 1 61 61 ALA C C 13 179.943 0.110 . 1 . . . . . 61 A C . 52793 3
152 . 1 . 1 61 61 ALA CA C 13 55.672 0.075 . 1 . . . . . 61 A CA . 52793 3
153 . 1 . 1 61 61 ALA CB C 13 18.347 0.069 . 1 . . . . . 61 A CB . 52793 3
154 . 1 . 1 62 62 ILE C C 13 176.761 0.063 . 1 . . . . . 62 I C . 52793 3
155 . 1 . 1 62 62 ILE CA C 13 64.577 0.016 . 1 . . . . . 62 I CA . 52793 3
156 . 1 . 1 62 62 ILE CB C 13 38.338 0.081 . 1 . . . . . 62 I CB . 52793 3
157 . 1 . 1 62 62 ILE CG2 C 13 18.047 0.076 . 1 . . . . . 62 I CG2 . 52793 3
158 . 1 . 1 62 62 ILE CD1 C 13 14.729 0.022 . 1 . . . . . 62 I CD1 . 52793 3
159 . 1 . 1 63 63 TRP CB C 13 28.692 0.083 . 1 . . . . . 63 W CB . 52793 3
160 . 1 . 1 65 65 GLY C C 13 176.633 0.000 . 1 . . . . . 65 G C . 52793 3
161 . 1 . 1 66 66 VAL C C 13 178.091 0.054 . 1 . . . . . 66 V C . 52793 3
162 . 1 . 1 66 66 VAL CA C 13 66.199 0.099 . 1 . . . . . 66 V CA . 52793 3
163 . 1 . 1 66 66 VAL CB C 13 30.754 0.036 . 1 . . . . . 66 V CB . 52793 3
164 . 1 . 1 67 67 GLY C C 13 174.635 0.083 . 1 . . . . . 67 G C . 52793 3
165 . 1 . 1 68 68 ILE C C 13 179.101 0.125 . 1 . . . . . 68 I C . 52793 3
166 . 1 . 1 68 68 ILE CA C 13 66.188 0.116 . 1 . . . . . 68 I CA . 52793 3
167 . 1 . 1 68 68 ILE CB C 13 38.023 0.061 . 1 . . . . . 68 I CB . 52793 3
168 . 1 . 1 68 68 ILE CG1 C 13 29.329 0.063 . 1 . . . . . 68 I CG1 . 52793 3
169 . 1 . 1 68 68 ILE CG2 C 13 17.904 0.087 . 1 . . . . . 68 I CG2 . 52793 3
170 . 1 . 1 68 68 ILE CD1 C 13 14.487 0.147 . 1 . . . . . 68 I CD1 . 52793 3
171 . 1 . 1 69 69 VAL CA C 13 67.238 0.000 . 1 . . . . . 69 V CA . 52793 3
172 . 1 . 1 69 69 VAL CG1 C 13 21.638 0.061 . 2 . . . . . 69 V CG1 . 52793 3
173 . 1 . 1 69 69 VAL CG2 C 13 23.129 0.021 . 2 . . . . . 69 V CG2 . 52793 3
174 . 1 . 1 70 70 LEU C C 13 179.048 0.009 . 1 . . . . . 70 L C . 52793 3
175 . 1 . 1 70 70 LEU CA C 13 58.369 0.109 . 1 . . . . . 70 L CA . 52793 3
176 . 1 . 1 70 70 LEU CB C 13 42.084 0.096 . 1 . . . . . 70 L CB . 52793 3
177 . 1 . 1 70 70 LEU CD1 C 13 25.349 0.071 . 2 . . . . . 70 L CD1 . 52793 3
178 . 1 . 1 70 70 LEU CD2 C 13 23.047 0.063 . 2 . . . . . 70 L CD2 . 52793 3
179 . 1 . 1 71 71 ILE CG1 C 13 28.670 0.077 . 1 . . . . . 71 I CG1 . 52793 3
180 . 1 . 1 71 71 ILE CG2 C 13 17.176 0.036 . 1 . . . . . 71 I CG2 . 52793 3
181 . 1 . 1 71 71 ILE CD1 C 13 14.387 0.017 . 1 . . . . . 71 I CD1 . 52793 3
182 . 1 . 1 73 73 LEU C C 13 178.136 0.154 . 1 . . . . . 73 L C . 52793 3
183 . 1 . 1 73 73 LEU CA C 13 58.468 0.027 . 1 . . . . . 73 L CA . 52793 3
184 . 1 . 1 73 73 LEU CG C 13 26.648 0.036 . 1 . . . . . 73 L CG . 52793 3
185 . 1 . 1 73 73 LEU CD1 C 13 25.680 0.000 . 2 . . . . . 73 L CD1 . 52793 3
186 . 1 . 1 73 73 LEU CD2 C 13 23.761 0.060 . 2 . . . . . 73 L CD2 . 52793 3
187 . 1 . 1 75 75 SER C C 13 177.056 0.082 . 1 . . . . . 75 S C . 52793 3
188 . 1 . 1 75 75 SER CA C 13 62.538 0.067 . 1 . . . . . 75 S CA . 52793 3
189 . 1 . 1 75 75 SER CB C 13 60.046 0.037 . 1 . . . . . 75 S CB . 52793 3
190 . 1 . 1 76 76 TRP C C 13 179.670 0.000 . 1 . . . . . 76 W C . 52793 3
191 . 1 . 1 76 76 TRP CA C 13 58.505 0.087 . 1 . . . . . 76 W CA . 52793 3
192 . 1 . 1 78 78 PHE C C 13 176.798 0.099 . 1 . . . . . 78 F C . 52793 3
193 . 1 . 1 78 78 PHE CA C 13 58.219 0.000 . 1 . . . . . 78 F CA . 52793 3
194 . 1 . 1 78 78 PHE CB C 13 39.453 0.064 . 1 . . . . . 78 F CB . 52793 3
195 . 1 . 1 79 79 PHE C C 13 176.535 0.002 . 1 . . . . . 79 F C . 52793 3
196 . 1 . 1 79 79 PHE CA C 13 56.346 0.000 . 1 . . . . . 79 F CA . 52793 3
197 . 1 . 1 81 81 GLN C C 13 173.508 0.000 . 1 . . . . . 81 Q C . 52793 3
198 . 1 . 1 81 81 GLN CA C 13 54.072 0.030 . 1 . . . . . 81 Q CA . 52793 3
199 . 1 . 1 82 82 ARG CA C 13 55.775 0.093 . 1 . . . . . 82 R CA . 52793 3
200 . 1 . 1 82 82 ARG CB C 13 31.221 0.042 . 1 . . . . . 82 R CB . 52793 3
201 . 1 . 1 83 83 LEU CG C 13 27.391 0.042 . 1 . . . . . 83 L CG . 52793 3
202 . 1 . 1 83 83 LEU CD1 C 13 26.212 0.091 . 2 . . . . . 83 L CD1 . 52793 3
203 . 1 . 1 84 84 ASP C C 13 175.013 0.084 . 1 . . . . . 84 D C . 52793 3
204 . 1 . 1 84 84 ASP CA C 13 50.985 0.038 . 1 . . . . . 84 D CA . 52793 3
205 . 1 . 1 84 84 ASP CB C 13 41.390 0.062 . 1 . . . . . 84 D CB . 52793 3
206 . 1 . 1 84 84 ASP CG C 13 180.573 0.107 . 1 . . . . . 84 D CG . 52793 3
207 . 1 . 1 85 85 LEU C C 13 175.892 0.000 . 1 . . . . . 85 L C . 52793 3
208 . 1 . 1 85 85 LEU CA C 13 59.617 0.036 . 1 . . . . . 85 L CA . 52793 3
209 . 1 . 1 85 85 LEU CG C 13 27.509 0.053 . 1 . . . . . 85 L CG . 52793 3
210 . 1 . 1 85 85 LEU CD1 C 13 25.525 0.041 . 2 . . . . . 85 L CD1 . 52793 3
211 . 1 . 1 85 85 LEU CD2 C 13 24.194 0.063 . 2 . . . . . 85 L CD2 . 52793 3
212 . 1 . 1 86 86 PRO C C 13 177.867 0.021 . 1 . . . . . 86 P C . 52793 3
213 . 1 . 1 86 86 PRO CA C 13 66.260 0.084 . 1 . . . . . 86 P CA . 52793 3
214 . 1 . 1 86 86 PRO CB C 13 31.456 0.025 . 1 . . . . . 86 P CB . 52793 3
215 . 1 . 1 87 87 ALA CA C 13 55.709 0.053 . 1 . . . . . 87 A CA . 52793 3
216 . 1 . 1 87 87 ALA CB C 13 17.455 0.162 . 1 . . . . . 87 A CB . 52793 3
217 . 1 . 1 88 88 ILE CA C 13 65.102 0.000 . 1 . . . . . 88 I CA . 52793 3
218 . 1 . 1 88 88 ILE CB C 13 38.278 0.000 . 1 . . . . . 88 I CB . 52793 3
219 . 1 . 1 88 88 ILE CG2 C 13 17.670 0.000 . 1 . . . . . 88 I CG2 . 52793 3
220 . 1 . 1 89 89 ILE C C 13 178.542 0.187 . 1 . . . . . 89 I C . 52793 3
221 . 1 . 1 89 89 ILE CA C 13 65.461 0.000 . 1 . . . . . 89 I CA . 52793 3
222 . 1 . 1 89 89 ILE CB C 13 37.097 0.063 . 1 . . . . . 89 I CB . 52793 3
223 . 1 . 1 89 89 ILE CG1 C 13 29.076 0.116 . 1 . . . . . 89 I CG1 . 52793 3
224 . 1 . 1 89 89 ILE CG2 C 13 17.251 0.091 . 1 . . . . . 89 I CG2 . 52793 3
225 . 1 . 1 89 89 ILE CD1 C 13 13.120 0.062 . 1 . . . . . 89 I CD1 . 52793 3
226 . 1 . 1 90 90 GLY C C 13 175.486 0.113 . 1 . . . . . 90 G C . 52793 3
227 . 1 . 1 91 91 MET C C 13 178.602 0.056 . 1 . . . . . 91 M C . 52793 3
228 . 1 . 1 91 91 MET CB C 13 32.782 0.083 . 1 . . . . . 91 M CB . 52793 3
229 . 1 . 1 91 91 MET CG C 13 33.924 0.060 . 1 . . . . . 91 M CG . 52793 3
230 . 1 . 1 91 91 MET CE C 13 16.480 0.036 . 1 . . . . . 91 M CE . 52793 3
231 . 1 . 1 92 92 MET C C 13 178.009 0.095 . 1 . . . . . 92 M C . 52793 3
232 . 1 . 1 92 92 MET CA C 13 60.087 0.035 . 1 . . . . . 92 M CA . 52793 3
233 . 1 . 1 92 92 MET CB C 13 30.840 0.000 . 1 . . . . . 92 M CB . 52793 3
234 . 1 . 1 92 92 MET CG C 13 31.280 0.062 . 1 . . . . . 92 M CG . 52793 3
235 . 1 . 1 92 92 MET CE C 13 16.502 0.035 . 1 . . . . . 92 M CE . 52793 3
236 . 1 . 1 93 93 LEU C C 13 178.766 0.027 . 1 . . . . . 93 L C . 52793 3
237 . 1 . 1 93 93 LEU CA C 13 58.097 0.056 . 1 . . . . . 93 L CA . 52793 3
238 . 1 . 1 93 93 LEU CG C 13 26.501 0.011 . 1 . . . . . 93 L CG . 52793 3
239 . 1 . 1 93 93 LEU CD1 C 13 25.363 0.043 . 2 . . . . . 93 L CD1 . 52793 3
240 . 1 . 1 93 93 LEU CD2 C 13 22.749 0.068 . 2 . . . . . 93 L CD2 . 52793 3
241 . 1 . 1 94 94 ILE C C 13 177.807 0.056 . 1 . . . . . 94 I C . 52793 3
242 . 1 . 1 94 94 ILE CA C 13 65.578 0.101 . 1 . . . . . 94 I CA . 52793 3
243 . 1 . 1 94 94 ILE CG1 C 13 28.900 0.121 . 1 . . . . . 94 I CG1 . 52793 3
244 . 1 . 1 94 94 ILE CG2 C 13 17.092 0.069 . 1 . . . . . 94 I CG2 . 52793 3
245 . 1 . 1 94 94 ILE CD1 C 13 13.395 0.103 . 1 . . . . . 94 I CD1 . 52793 3
246 . 1 . 1 95 95 CYS C C 13 176.505 0.000 . 1 . . . . . 95 C C . 52793 3
247 . 1 . 1 95 95 CYS CA C 13 64.900 0.096 . 1 . . . . . 95 C CA . 52793 3
248 . 1 . 1 96 96 ALA CA C 13 55.761 0.088 . 1 . . . . . 96 A CA . 52793 3
249 . 1 . 1 96 96 ALA CB C 13 18.506 0.071 . 1 . . . . . 96 A CB . 52793 3
250 . 1 . 1 97 97 GLY C C 13 175.164 0.000 . 1 . . . . . 97 G C . 52793 3
251 . 1 . 1 98 98 VAL C C 13 178.088 0.043 . 1 . . . . . 98 V C . 52793 3
252 . 1 . 1 98 98 VAL CB C 13 32.022 0.000 . 1 . . . . . 98 V CB . 52793 3
253 . 1 . 1 98 98 VAL CG1 C 13 21.679 0.047 . 2 . . . . . 98 V CG1 . 52793 3
254 . 1 . 1 98 98 VAL CG2 C 13 23.063 0.065 . 2 . . . . . 98 V CG2 . 52793 3
255 . 1 . 1 99 99 LEU C C 13 178.001 0.093 . 1 . . . . . 99 L C . 52793 3
256 . 1 . 1 99 99 LEU CA C 13 58.472 0.056 . 1 . . . . . 99 L CA . 52793 3
257 . 1 . 1 99 99 LEU CG C 13 26.959 0.011 . 1 . . . . . 99 L CG . 52793 3
258 . 1 . 1 99 99 LEU CD1 C 13 23.922 0.000 . 2 . . . . . 99 L CD1 . 52793 3
259 . 1 . 1 99 99 LEU CD2 C 13 23.795 0.042 . 2 . . . . . 99 L CD2 . 52793 3
260 . 1 . 1 100 100 ILE C C 13 177.618 0.094 . 1 . . . . . 100 I C . 52793 3
261 . 1 . 1 100 100 ILE CA C 13 66.033 0.086 . 1 . . . . . 100 I CA . 52793 3
262 . 1 . 1 100 100 ILE CG1 C 13 29.286 0.105 . 1 . . . . . 100 I CG1 . 52793 3
263 . 1 . 1 101 101 ILE C C 13 177.015 0.071 . 1 . . . . . 101 I C . 52793 3
264 . 1 . 1 101 101 ILE CA C 13 65.702 0.097 . 1 . . . . . 101 I CA . 52793 3
265 . 1 . 1 101 101 ILE CB C 13 38.283 0.070 . 1 . . . . . 101 I CB . 52793 3
266 . 1 . 1 101 101 ILE CG1 C 13 27.026 0.017 . 1 . . . . . 101 I CG1 . 52793 3
267 . 1 . 1 101 101 ILE CG2 C 13 18.291 0.082 . 1 . . . . . 101 I CG2 . 52793 3
268 . 1 . 1 102 102 ASN C C 13 176.647 0.082 . 1 . . . . . 102 N C . 52793 3
269 . 1 . 1 102 102 ASN CA C 13 57.114 0.000 . 1 . . . . . 102 N CA . 52793 3
270 . 1 . 1 102 102 ASN CB C 13 39.748 0.018 . 1 . . . . . 102 N CB . 52793 3
271 . 1 . 1 102 102 ASN CG C 13 176.085 0.013 . 1 . . . . . 102 N CG . 52793 3
272 . 1 . 1 103 103 LEU C C 13 178.313 0.000 . 1 . . . . . 103 L C . 52793 3
273 . 1 . 1 103 103 LEU CD1 C 13 25.169 0.000 . 2 . . . . . 103 L CD1 . 52793 3
274 . 1 . 1 103 103 LEU CD2 C 13 24.407 0.038 . 2 . . . . . 103 L CD2 . 52793 3
275 . 1 . 1 104 104 LEU C C 13 176.550 0.044 . 1 . . . . . 104 L C . 52793 3
276 . 1 . 1 104 104 LEU CA C 13 54.551 0.000 . 1 . . . . . 104 L CA . 52793 3
277 . 1 . 1 104 104 LEU CG C 13 26.665 0.000 . 1 . . . . . 104 L CG . 52793 3
278 . 1 . 1 104 104 LEU CD1 C 13 26.879 0.045 . 2 . . . . . 104 L CD1 . 52793 3
279 . 1 . 1 105 105 SER C C 13 175.276 0.082 . 1 . . . . . 105 S C . 52793 3
280 . 1 . 1 105 105 SER CA C 13 58.596 0.140 . 1 . . . . . 105 S CA . 52793 3
281 . 1 . 1 105 105 SER CB C 13 64.660 0.038 . 1 . . . . . 105 S CB . 52793 3
282 . 1 . 1 106 106 ARG C C 13 176.775 0.102 . 1 . . . . . 106 R C . 52793 3
283 . 1 . 1 106 106 ARG CA C 13 56.387 0.000 . 1 . . . . . 106 R CA . 52793 3
284 . 1 . 1 106 106 ARG CB C 13 30.678 0.124 . 1 . . . . . 106 R CB . 52793 3
285 . 1 . 1 106 106 ARG CG C 13 27.288 0.029 . 1 . . . . . 106 R CG . 52793 3
286 . 1 . 1 107 107 SER C C 13 174.235 0.066 . 1 . . . . . 107 S C . 52793 3
287 . 1 . 1 107 107 SER CA C 13 58.284 0.058 . 1 . . . . . 107 S CA . 52793 3
288 . 1 . 1 109 109 PRO C C 13 176.086 0.012 . 1 . . . . . 109 P C . 52793 3
289 . 1 . 1 109 109 PRO CA C 13 64.437 0.137 . 1 . . . . . 109 P CA . 52793 3
290 . 1 . 1 109 109 PRO CB C 13 30.453 0.118 . 1 . . . . . 109 P CB . 52793 3
291 . 1 . 1 109 109 PRO CG C 13 27.422 0.000 . 1 . . . . . 109 P CG . 52793 3
292 . 1 . 1 109 109 PRO CD C 13 50.856 0.000 . 1 . . . . . 109 P CD . 52793 3
293 . 2 . 1 1 1 MET CA C 13 54.074 0.000 . 1 . . . . . 1 M CA . 52793 3
294 . 2 . 1 2 2 ASN C C 13 175.446 0.106 . 1 . . . . . 2 N C . 52793 3
295 . 2 . 1 2 2 ASN CB C 13 38.839 0.144 . 1 . . . . . 2 N CB . 52793 3
296 . 2 . 1 3 3 PRO CA C 13 64.554 0.078 . 1 . . . . . 3 P CA . 52793 3
297 . 2 . 1 3 3 PRO CB C 13 31.967 0.100 . 1 . . . . . 3 P CB . 52793 3
298 . 2 . 1 3 3 PRO CG C 13 27.431 0.068 . 1 . . . . . 3 P CG . 52793 3
299 . 2 . 1 4 4 TYR CB C 13 37.293 0.000 . 1 . . . . . 4 Y CB . 52793 3
300 . 2 . 1 5 5 ILE C C 13 178.187 0.079 . 1 . . . . . 5 I C . 52793 3
301 . 2 . 1 5 5 ILE CA C 13 64.826 0.111 . 1 . . . . . 5 I CA . 52793 3
302 . 2 . 1 5 5 ILE CB C 13 35.578 0.000 . 1 . . . . . 5 I CB . 52793 3
303 . 2 . 1 5 5 ILE CG1 C 13 28.859 0.087 . 1 . . . . . 5 I CG1 . 52793 3
304 . 2 . 1 5 5 ILE CG2 C 13 17.311 0.164 . 1 . . . . . 5 I CG2 . 52793 3
305 . 2 . 1 5 5 ILE CD1 C 13 13.061 0.021 . 1 . . . . . 5 I CD1 . 52793 3
306 . 2 . 1 6 6 TYR C C 13 178.036 0.084 . 1 . . . . . 6 Y C . 52793 3
307 . 2 . 1 6 6 TYR CB C 13 36.964 0.058 . 1 . . . . . 6 Y CB . 52793 3
308 . 2 . 1 7 7 LEU C C 13 178.797 0.000 . 1 . . . . . 7 L C . 52793 3
309 . 2 . 1 7 7 LEU CA C 13 57.693 0.088 . 1 . . . . . 7 L CA . 52793 3
310 . 2 . 1 7 7 LEU CB C 13 41.319 0.064 . 1 . . . . . 7 L CB . 52793 3
311 . 2 . 1 9 9 GLY C C 13 174.208 0.054 . 1 . . . . . 9 G C . 52793 3
312 . 2 . 1 10 10 ALA C C 13 182.105 0.036 . 1 . . . . . 10 A C . 52793 3
313 . 2 . 1 10 10 ALA CA C 13 55.800 0.000 . 1 . . . . . 10 A CA . 52793 3
314 . 2 . 1 10 10 ALA CB C 13 18.840 0.013 . 1 . . . . . 10 A CB . 52793 3
315 . 2 . 1 11 11 ILE C C 13 177.081 0.017 . 1 . . . . . 11 I C . 52793 3
316 . 2 . 1 11 11 ILE CA C 13 64.669 0.060 . 1 . . . . . 11 I CA . 52793 3
317 . 2 . 1 11 11 ILE CB C 13 38.436 0.054 . 1 . . . . . 11 I CB . 52793 3
318 . 2 . 1 11 11 ILE CG1 C 13 27.093 0.062 . 1 . . . . . 11 I CG1 . 52793 3
319 . 2 . 1 11 11 ILE CG2 C 13 17.822 0.077 . 1 . . . . . 11 I CG2 . 52793 3
320 . 2 . 1 11 11 ILE CD1 C 13 13.974 0.006 . 1 . . . . . 11 I CD1 . 52793 3
321 . 2 . 1 13 13 ALA CB C 13 17.227 0.049 . 1 . . . . . 13 A CB . 52793 3
322 . 2 . 1 14 14 GLU CA C 13 58.444 0.030 . 1 . . . . . 14 E CA . 52793 3
323 . 2 . 1 15 15 VAL C C 13 179.261 0.082 . 1 . . . . . 15 V C . 52793 3
324 . 2 . 1 15 15 VAL CA C 13 66.136 0.031 . 1 . . . . . 15 V CA . 52793 3
325 . 2 . 1 15 15 VAL CB C 13 31.766 0.068 . 1 . . . . . 15 V CB . 52793 3
326 . 2 . 1 15 15 VAL CG1 C 13 22.206 0.033 . 2 . . . . . 15 V CG1 . 52793 3
327 . 2 . 1 15 15 VAL CG2 C 13 21.524 0.070 . 2 . . . . . 15 V CG2 . 52793 3
328 . 2 . 1 16 16 ILE C C 13 179.371 0.100 . 1 . . . . . 16 I C . 52793 3
329 . 2 . 1 16 16 ILE CA C 13 66.490 0.141 . 1 . . . . . 16 I CA . 52793 3
330 . 2 . 1 16 16 ILE CB C 13 37.967 0.000 . 1 . . . . . 16 I CB . 52793 3
331 . 2 . 1 16 16 ILE CG1 C 13 29.642 0.113 . 1 . . . . . 16 I CG1 . 52793 3
332 . 2 . 1 16 16 ILE CG2 C 13 17.670 0.071 . 1 . . . . . 16 I CG2 . 52793 3
333 . 2 . 1 16 16 ILE CD1 C 13 13.243 0.129 . 1 . . . . . 16 I CD1 . 52793 3
334 . 2 . 1 17 17 GLY C C 13 174.306 0.068 . 1 . . . . . 17 G C . 52793 3
335 . 2 . 1 18 18 THR CA C 13 66.029 0.100 . 1 . . . . . 18 T CA . 52793 3
336 . 2 . 1 18 18 THR CB C 13 68.678 0.033 . 1 . . . . . 18 T CB . 52793 3
337 . 2 . 1 18 18 THR CG2 C 13 21.621 0.000 . 1 . . . . . 18 T CG2 . 52793 3
338 . 2 . 1 19 19 THR C C 13 176.024 0.106 . 1 . . . . . 19 T C . 52793 3
339 . 2 . 1 19 19 THR CA C 13 67.646 0.052 . 1 . . . . . 19 T CA . 52793 3
340 . 2 . 1 19 19 THR CB C 13 68.602 0.106 . 1 . . . . . 19 T CB . 52793 3
341 . 2 . 1 19 19 THR CG2 C 13 21.809 0.037 . 1 . . . . . 19 T CG2 . 52793 3
342 . 2 . 1 20 20 LEU C C 13 178.338 0.128 . 1 . . . . . 20 L C . 52793 3
343 . 2 . 1 20 20 LEU CA C 13 57.716 0.044 . 1 . . . . . 20 L CA . 52793 3
344 . 2 . 1 20 20 LEU CB C 13 41.174 0.000 . 1 . . . . . 20 L CB . 52793 3
345 . 2 . 1 20 20 LEU CG C 13 26.778 0.087 . 1 . . . . . 20 L CG . 52793 3
346 . 2 . 1 20 20 LEU CD1 C 13 23.760 0.066 . 2 . . . . . 20 L CD1 . 52793 3
347 . 2 . 1 21 21 MET CG C 13 32.484 0.000 . 1 . . . . . 21 M CG . 52793 3
348 . 2 . 1 22 22 LYS CA C 13 59.497 0.000 . 1 . . . . . 22 K CA . 52793 3
349 . 2 . 1 22 22 LYS CB C 13 30.503 0.000 . 1 . . . . . 22 K CB . 52793 3
350 . 2 . 1 24 24 SER C C 13 173.353 0.094 . 1 . . . . . 24 S C . 52793 3
351 . 2 . 1 24 24 SER CB C 13 63.788 0.125 . 1 . . . . . 24 S CB . 52793 3
352 . 2 . 1 25 25 GLU C C 13 178.097 0.102 . 1 . . . . . 25 E C . 52793 3
353 . 2 . 1 25 25 GLU CA C 13 55.952 0.027 . 1 . . . . . 25 E CA . 52793 3
354 . 2 . 1 25 25 GLU CB C 13 26.760 0.079 . 1 . . . . . 25 E CB . 52793 3
355 . 2 . 1 25 25 GLU CG C 13 35.947 0.161 . 1 . . . . . 25 E CG . 52793 3
356 . 2 . 1 27 27 PHE CB C 13 36.867 0.076 . 1 . . . . . 27 F CB . 52793 3
357 . 2 . 1 28 28 THR C C 13 174.917 0.112 . 1 . . . . . 28 T C . 52793 3
358 . 2 . 1 28 28 THR CA C 13 61.945 0.060 . 1 . . . . . 28 T CA . 52793 3
359 . 2 . 1 28 28 THR CB C 13 70.713 0.045 . 1 . . . . . 28 T CB . 52793 3
360 . 2 . 1 28 28 THR CG2 C 13 21.474 0.091 . 1 . . . . . 28 T CG2 . 52793 3
361 . 2 . 1 29 29 ARG C C 13 178.037 0.061 . 1 . . . . . 29 R C . 52793 3
362 . 2 . 1 29 29 ARG CA C 13 54.078 0.082 . 1 . . . . . 29 R CA . 52793 3
363 . 2 . 1 29 29 ARG CB C 13 31.008 0.148 . 1 . . . . . 29 R CB . 52793 3
364 . 2 . 1 29 29 ARG CG C 13 27.153 0.142 . 1 . . . . . 29 R CG . 52793 3
365 . 2 . 1 30 30 LEU C C 13 177.814 0.097 . 1 . . . . . 30 L C . 52793 3
366 . 2 . 1 30 30 LEU CA C 13 60.148 0.045 . 1 . . . . . 30 L CA . 52793 3
367 . 2 . 1 30 30 LEU CG C 13 26.669 0.006 . 1 . . . . . 30 L CG . 52793 3
368 . 2 . 1 30 30 LEU CD2 C 13 22.879 0.099 . 2 . . . . . 30 L CD2 . 52793 3
369 . 2 . 1 31 31 TRP CA C 13 61.866 0.044 . 1 . . . . . 31 W CA . 52793 3
370 . 2 . 1 31 31 TRP CB C 13 26.624 0.027 . 1 . . . . . 31 W CB . 52793 3
371 . 2 . 1 32 32 PRO CA C 13 65.971 0.000 . 1 . . . . . 32 P CA . 52793 3
372 . 2 . 1 33 33 SER C C 13 174.734 0.067 . 1 . . . . . 33 S C . 52793 3
373 . 2 . 1 33 33 SER CB C 13 62.600 0.028 . 1 . . . . . 33 S CB . 52793 3
374 . 2 . 1 36 36 THR C C 13 176.086 0.018 . 1 . . . . . 36 T C . 52793 3
375 . 2 . 1 37 37 ILE C C 13 178.432 0.113 . 1 . . . . . 37 I C . 52793 3
376 . 2 . 1 37 37 ILE CA C 13 64.916 0.112 . 1 . . . . . 37 I CA . 52793 3
377 . 2 . 1 37 37 ILE CB C 13 36.794 0.065 . 1 . . . . . 37 I CB . 52793 3
378 . 2 . 1 37 37 ILE CG2 C 13 17.540 0.012 . 1 . . . . . 37 I CG2 . 52793 3
379 . 2 . 1 38 38 ILE C C 13 177.625 0.085 . 1 . . . . . 38 I C . 52793 3
380 . 2 . 1 38 38 ILE CA C 13 65.715 0.084 . 1 . . . . . 38 I CA . 52793 3
381 . 2 . 1 38 38 ILE CB C 13 38.236 0.091 . 1 . . . . . 38 I CB . 52793 3
382 . 2 . 1 38 38 ILE CG1 C 13 30.713 0.120 . 1 . . . . . 38 I CG1 . 52793 3
383 . 2 . 1 38 38 ILE CG2 C 13 16.468 0.016 . 1 . . . . . 38 I CG2 . 52793 3
384 . 2 . 1 38 38 ILE CD1 C 13 14.508 0.143 . 1 . . . . . 38 I CD1 . 52793 3
385 . 2 . 1 40 40 TYR C C 13 178.658 0.081 . 1 . . . . . 40 Y C . 52793 3
386 . 2 . 1 41 41 CYS C C 13 176.582 0.005 . 1 . . . . . 41 C C . 52793 3
387 . 2 . 1 41 41 CYS CA C 13 63.348 0.000 . 1 . . . . . 41 C CA . 52793 3
388 . 2 . 1 41 41 CYS CB C 13 26.480 0.000 . 1 . . . . . 41 C CB . 52793 3
389 . 2 . 1 42 42 ALA C C 13 178.305 0.037 . 1 . . . . . 42 A C . 52793 3
390 . 2 . 1 42 42 ALA CA C 13 55.342 0.000 . 1 . . . . . 42 A CA . 52793 3
391 . 2 . 1 42 42 ALA CB C 13 17.720 0.079 . 1 . . . . . 42 A CB . 52793 3
392 . 2 . 1 43 43 SER C C 13 177.112 0.063 . 1 . . . . . 43 S C . 52793 3
393 . 2 . 1 43 43 SER CA C 13 63.687 0.000 . 1 . . . . . 43 S CA . 52793 3
394 . 2 . 1 43 43 SER CB C 13 64.742 0.035 . 1 . . . . . 43 S CB . 52793 3
395 . 2 . 1 44 44 PHE CA C 13 59.644 0.000 . 1 . . . . . 44 F CA . 52793 3
396 . 2 . 1 44 44 PHE CB C 13 38.746 0.000 . 1 . . . . . 44 F CB . 52793 3
397 . 2 . 1 45 45 TRP CB C 13 28.411 0.000 . 1 . . . . . 45 W CB . 52793 3
398 . 2 . 1 47 47 LEU C C 13 180.299 0.000 . 1 . . . . . 47 L C . 52793 3
399 . 2 . 1 47 47 LEU CA C 13 57.422 0.074 . 1 . . . . . 47 L CA . 52793 3
400 . 2 . 1 47 47 LEU CD2 C 13 23.160 0.022 . 2 . . . . . 47 L CD2 . 52793 3
401 . 2 . 1 48 48 ALA CA C 13 55.367 0.000 . 1 . . . . . 48 A CA . 52793 3
402 . 2 . 1 48 48 ALA CB C 13 18.832 0.000 . 1 . . . . . 48 A CB . 52793 3
403 . 2 . 1 49 49 GLN C C 13 177.438 0.098 . 1 . . . . . 49 Q C . 52793 3
404 . 2 . 1 49 49 GLN CB C 13 26.570 0.051 . 1 . . . . . 49 Q CB . 52793 3
405 . 2 . 1 49 49 GLN CD C 13 180.082 0.061 . 1 . . . . . 49 Q CD . 52793 3
406 . 2 . 1 50 50 THR C C 13 177.400 0.021 . 1 . . . . . 50 T C . 52793 3
407 . 2 . 1 50 50 THR CA C 13 63.870 0.040 . 1 . . . . . 50 T CA . 52793 3
408 . 2 . 1 50 50 THR CB C 13 69.703 0.034 . 1 . . . . . 50 T CB . 52793 3
409 . 2 . 1 50 50 THR CG2 C 13 23.108 0.032 . 1 . . . . . 50 T CG2 . 52793 3
410 . 2 . 1 51 51 LEU C C 13 176.854 0.069 . 1 . . . . . 51 L C . 52793 3
411 . 2 . 1 51 51 LEU CA C 13 55.808 0.063 . 1 . . . . . 51 L CA . 52793 3
412 . 2 . 1 51 51 LEU CG C 13 26.344 0.037 . 1 . . . . . 51 L CG . 52793 3
413 . 2 . 1 51 51 LEU CD2 C 13 24.330 0.000 . 2 . . . . . 51 L CD2 . 52793 3
414 . 2 . 1 52 52 ALA C C 13 177.295 0.000 . 1 . . . . . 52 A C . 52793 3
415 . 2 . 1 52 52 ALA CA C 13 52.856 0.000 . 1 . . . . . 52 A CA . 52793 3
416 . 2 . 1 52 52 ALA CB C 13 18.253 0.082 . 1 . . . . . 52 A CB . 52793 3
417 . 2 . 1 53 53 TYR C C 13 175.318 0.109 . 1 . . . . . 53 Y C . 52793 3
418 . 2 . 1 53 53 TYR CA C 13 57.758 0.000 . 1 . . . . . 53 Y CA . 52793 3
419 . 2 . 1 54 54 ILE C C 13 173.277 0.029 . 1 . . . . . 54 I C . 52793 3
420 . 2 . 1 54 54 ILE CA C 13 57.775 0.032 . 1 . . . . . 54 I CA . 52793 3
421 . 2 . 1 54 54 ILE CG1 C 13 26.664 0.049 . 1 . . . . . 54 I CG1 . 52793 3
422 . 2 . 1 54 54 ILE CG2 C 13 16.124 0.094 . 1 . . . . . 54 I CG2 . 52793 3
423 . 2 . 1 54 54 ILE CD1 C 13 13.094 0.045 . 1 . . . . . 54 I CD1 . 52793 3
424 . 2 . 1 55 55 PRO C C 13 176.763 0.092 . 1 . . . . . 55 P C . 52793 3
425 . 2 . 1 55 55 PRO CA C 13 63.245 0.090 . 1 . . . . . 55 P CA . 52793 3
426 . 2 . 1 55 55 PRO CB C 13 32.802 0.066 . 1 . . . . . 55 P CB . 52793 3
427 . 2 . 1 55 55 PRO CG C 13 28.857 0.161 . 1 . . . . . 55 P CG . 52793 3
428 . 2 . 1 56 56 THR C C 13 175.831 0.059 . 1 . . . . . 56 T C . 52793 3
429 . 2 . 1 56 56 THR CB C 13 68.719 0.042 . 1 . . . . . 56 T CB . 52793 3
430 . 2 . 1 57 57 GLY C C 13 175.253 0.039 . 1 . . . . . 57 G C . 52793 3
431 . 2 . 1 58 58 ILE CA C 13 63.702 0.000 . 1 . . . . . 58 I CA . 52793 3
432 . 2 . 1 58 58 ILE CG2 C 13 17.794 0.002 . 1 . . . . . 58 I CG2 . 52793 3
433 . 2 . 1 61 61 ALA C C 13 179.818 0.059 . 1 . . . . . 61 A C . 52793 3
434 . 2 . 1 61 61 ALA CA C 13 55.870 0.072 . 1 . . . . . 61 A CA . 52793 3
435 . 2 . 1 61 61 ALA CB C 13 17.709 0.038 . 1 . . . . . 61 A CB . 52793 3
436 . 2 . 1 62 62 ILE C C 13 176.789 0.020 . 1 . . . . . 62 I C . 52793 3
437 . 2 . 1 62 62 ILE CA C 13 66.475 0.053 . 1 . . . . . 62 I CA . 52793 3
438 . 2 . 1 62 62 ILE CG1 C 13 30.464 0.054 . 1 . . . . . 62 I CG1 . 52793 3
439 . 2 . 1 62 62 ILE CG2 C 13 17.897 0.034 . 1 . . . . . 62 I CG2 . 52793 3
440 . 2 . 1 63 63 TRP CB C 13 28.706 0.000 . 1 . . . . . 63 W CB . 52793 3
441 . 2 . 1 69 69 VAL CG1 C 13 22.059 0.000 . 2 . . . . . 69 V CG1 . 52793 3
442 . 2 . 1 70 70 LEU CA C 13 58.393 0.078 . 1 . . . . . 70 L CA . 52793 3
443 . 2 . 1 70 70 LEU CB C 13 42.366 0.000 . 1 . . . . . 70 L CB . 52793 3
444 . 2 . 1 70 70 LEU CD1 C 13 24.351 0.045 . 2 . . . . . 70 L CD1 . 52793 3
445 . 2 . 1 71 71 ILE C C 13 178.901 0.084 . 1 . . . . . 71 I C . 52793 3
446 . 2 . 1 71 71 ILE CA C 13 66.149 0.099 . 1 . . . . . 71 I CA . 52793 3
447 . 2 . 1 71 71 ILE CB C 13 38.670 0.098 . 1 . . . . . 71 I CB . 52793 3
448 . 2 . 1 71 71 ILE CG1 C 13 31.559 0.128 . 1 . . . . . 71 I CG1 . 52793 3
449 . 2 . 1 71 71 ILE CG2 C 13 18.246 0.036 . 1 . . . . . 71 I CG2 . 52793 3
450 . 2 . 1 71 71 ILE CD1 C 13 14.348 0.068 . 1 . . . . . 71 I CD1 . 52793 3
451 . 2 . 1 73 73 LEU CA C 13 57.721 0.036 . 1 . . . . . 73 L CA . 52793 3
452 . 2 . 1 73 73 LEU CB C 13 41.416 0.100 . 1 . . . . . 73 L CB . 52793 3
453 . 2 . 1 73 73 LEU CG C 13 26.743 0.045 . 1 . . . . . 73 L CG . 52793 3
454 . 2 . 1 74 74 LEU CA C 13 57.829 0.000 . 1 . . . . . 74 L CA . 52793 3
455 . 2 . 1 74 74 LEU CB C 13 41.638 0.146 . 1 . . . . . 74 L CB . 52793 3
456 . 2 . 1 74 74 LEU CG C 13 26.403 0.000 . 1 . . . . . 74 L CG . 52793 3
457 . 2 . 1 74 74 LEU CD2 C 13 24.355 0.043 . 2 . . . . . 74 L CD2 . 52793 3
458 . 2 . 1 75 75 SER C C 13 177.053 0.000 . 1 . . . . . 75 S C . 52793 3
459 . 2 . 1 76 76 TRP C C 13 179.006 0.130 . 1 . . . . . 76 W C . 52793 3
460 . 2 . 1 76 76 TRP CB C 13 28.633 0.082 . 1 . . . . . 76 W CB . 52793 3
461 . 2 . 1 77 77 GLY C C 13 173.294 0.038 . 1 . . . . . 77 G C . 52793 3
462 . 2 . 1 79 79 PHE C C 13 177.088 0.096 . 1 . . . . . 79 F C . 52793 3
463 . 2 . 1 79 79 PHE CB C 13 39.445 0.000 . 1 . . . . . 79 F CB . 52793 3
464 . 2 . 1 80 80 GLY C C 13 174.651 0.118 . 1 . . . . . 80 G C . 52793 3
465 . 2 . 1 81 81 GLN C C 13 174.955 0.024 . 1 . . . . . 81 Q C . 52793 3
466 . 2 . 1 81 81 GLN CA C 13 55.908 0.045 . 1 . . . . . 81 Q CA . 52793 3
467 . 2 . 1 81 81 GLN CB C 13 28.788 0.060 . 1 . . . . . 81 Q CB . 52793 3
468 . 2 . 1 81 81 GLN CG C 13 33.667 0.040 . 1 . . . . . 81 Q CG . 52793 3
469 . 2 . 1 81 81 GLN CD C 13 179.794 0.054 . 1 . . . . . 81 Q CD . 52793 3
470 . 2 . 1 82 82 ARG C C 13 176.334 0.119 . 1 . . . . . 82 R C . 52793 3
471 . 2 . 1 82 82 ARG CA C 13 55.587 0.142 . 1 . . . . . 82 R CA . 52793 3
472 . 2 . 1 82 82 ARG CB C 13 30.526 0.000 . 1 . . . . . 82 R CB . 52793 3
473 . 2 . 1 82 82 ARG CG C 13 26.941 0.000 . 1 . . . . . 82 R CG . 52793 3
474 . 2 . 1 83 83 LEU CD1 C 13 25.379 0.000 . 2 . . . . . 83 L CD1 . 52793 3
475 . 2 . 1 84 84 ASP C C 13 174.786 0.102 . 1 . . . . . 84 D C . 52793 3
476 . 2 . 1 84 84 ASP CA C 13 50.903 0.051 . 1 . . . . . 84 D CA . 52793 3
477 . 2 . 1 84 84 ASP CB C 13 42.378 0.085 . 1 . . . . . 84 D CB . 52793 3
478 . 2 . 1 84 84 ASP CG C 13 180.518 0.089 . 1 . . . . . 84 D CG . 52793 3
479 . 2 . 1 85 85 LEU C C 13 175.735 0.103 . 1 . . . . . 85 L C . 52793 3
480 . 2 . 1 85 85 LEU CA C 13 60.147 0.040 . 1 . . . . . 85 L CA . 52793 3
481 . 2 . 1 85 85 LEU CG C 13 26.839 0.168 . 1 . . . . . 85 L CG . 52793 3
482 . 2 . 1 85 85 LEU CD1 C 13 25.315 0.059 . 2 . . . . . 85 L CD1 . 52793 3
483 . 2 . 1 85 85 LEU CD2 C 13 23.235 0.184 . 2 . . . . . 85 L CD2 . 52793 3
484 . 2 . 1 86 86 PRO C C 13 177.943 0.064 . 1 . . . . . 86 P C . 52793 3
485 . 2 . 1 86 86 PRO CA C 13 66.358 0.117 . 1 . . . . . 86 P CA . 52793 3
486 . 2 . 1 86 86 PRO CB C 13 31.101 0.030 . 1 . . . . . 86 P CB . 52793 3
487 . 2 . 1 86 86 PRO CG C 13 28.480 0.181 . 1 . . . . . 86 P CG . 52793 3
488 . 2 . 1 87 87 ALA C C 13 180.067 0.000 . 1 . . . . . 87 A C . 52793 3
489 . 2 . 1 87 87 ALA CB C 13 17.164 0.000 . 1 . . . . . 87 A CB . 52793 3
490 . 2 . 1 88 88 ILE C C 13 179.053 0.000 . 1 . . . . . 88 I C . 52793 3
491 . 2 . 1 88 88 ILE CA C 13 65.495 0.053 . 1 . . . . . 88 I CA . 52793 3
492 . 2 . 1 88 88 ILE CG1 C 13 29.875 0.158 . 1 . . . . . 88 I CG1 . 52793 3
493 . 2 . 1 88 88 ILE CG2 C 13 18.067 0.089 . 1 . . . . . 88 I CG2 . 52793 3
494 . 2 . 1 88 88 ILE CD1 C 13 12.563 0.014 . 1 . . . . . 88 I CD1 . 52793 3
495 . 2 . 1 89 89 ILE CA C 13 65.610 0.046 . 1 . . . . . 89 I CA . 52793 3
496 . 2 . 1 89 89 ILE CB C 13 36.268 0.052 . 1 . . . . . 89 I CB . 52793 3
497 . 2 . 1 89 89 ILE CG1 C 13 29.675 0.087 . 1 . . . . . 89 I CG1 . 52793 3
498 . 2 . 1 89 89 ILE CG2 C 13 16.537 0.099 . 1 . . . . . 89 I CG2 . 52793 3
499 . 2 . 1 89 89 ILE CD1 C 13 14.647 0.000 . 1 . . . . . 89 I CD1 . 52793 3
500 . 2 . 1 90 90 GLY C C 13 175.600 0.127 . 1 . . . . . 90 G C . 52793 3
501 . 2 . 1 91 91 MET C C 13 178.693 0.106 . 1 . . . . . 91 M C . 52793 3
502 . 2 . 1 91 91 MET CA C 13 60.095 0.057 . 1 . . . . . 91 M CA . 52793 3
503 . 2 . 1 91 91 MET CB C 13 33.045 0.099 . 1 . . . . . 91 M CB . 52793 3
504 . 2 . 1 91 91 MET CG C 13 33.950 0.000 . 1 . . . . . 91 M CG . 52793 3
505 . 2 . 1 91 91 MET CE C 13 17.174 0.059 . 1 . . . . . 91 M CE . 52793 3
506 . 2 . 1 92 92 MET C C 13 177.889 0.089 . 1 . . . . . 92 M C . 52793 3
507 . 2 . 1 92 92 MET CA C 13 60.078 0.034 . 1 . . . . . 92 M CA . 52793 3
508 . 2 . 1 92 92 MET CB C 13 32.754 0.069 . 1 . . . . . 92 M CB . 52793 3
509 . 2 . 1 92 92 MET CG C 13 33.876 0.083 . 1 . . . . . 92 M CG . 52793 3
510 . 2 . 1 92 92 MET CE C 13 17.073 0.064 . 1 . . . . . 92 M CE . 52793 3
511 . 2 . 1 93 93 LEU CA C 13 58.442 0.038 . 1 . . . . . 93 L CA . 52793 3
512 . 2 . 1 93 93 LEU CG C 13 26.838 0.003 . 1 . . . . . 93 L CG . 52793 3
513 . 2 . 1 93 93 LEU CD2 C 13 24.398 0.047 . 2 . . . . . 93 L CD2 . 52793 3
514 . 2 . 1 94 94 ILE C C 13 178.188 0.092 . 1 . . . . . 94 I C . 52793 3
515 . 2 . 1 94 94 ILE CA C 13 65.644 0.027 . 1 . . . . . 94 I CA . 52793 3
516 . 2 . 1 94 94 ILE CG1 C 13 29.215 0.023 . 1 . . . . . 94 I CG1 . 52793 3
517 . 2 . 1 94 94 ILE CG2 C 13 17.193 0.024 . 1 . . . . . 94 I CG2 . 52793 3
518 . 2 . 1 95 95 CYS C C 13 176.462 0.100 . 1 . . . . . 95 C C . 52793 3
519 . 2 . 1 95 95 CYS CB C 13 26.645 0.098 . 1 . . . . . 95 C CB . 52793 3
520 . 2 . 1 96 96 ALA C C 13 178.747 0.067 . 1 . . . . . 96 A C . 52793 3
521 . 2 . 1 96 96 ALA CA C 13 55.426 0.009 . 1 . . . . . 96 A CA . 52793 3
522 . 2 . 1 96 96 ALA CB C 13 18.411 0.070 . 1 . . . . . 96 A CB . 52793 3
523 . 2 . 1 97 97 GLY C C 13 175.106 0.085 . 1 . . . . . 97 G C . 52793 3
524 . 2 . 1 98 98 VAL CG2 C 13 23.338 0.033 . 2 . . . . . 98 V CG2 . 52793 3
525 . 2 . 1 100 100 ILE C C 13 177.960 0.000 . 1 . . . . . 100 I C . 52793 3
526 . 2 . 1 100 100 ILE CA C 13 66.162 0.022 . 1 . . . . . 100 I CA . 52793 3
527 . 2 . 1 100 100 ILE CG1 C 13 29.690 0.000 . 1 . . . . . 100 I CG1 . 52793 3
528 . 2 . 1 100 100 ILE CG2 C 13 17.181 0.020 . 1 . . . . . 100 I CG2 . 52793 3
529 . 2 . 1 101 101 ILE C C 13 177.637 0.151 . 1 . . . . . 101 I C . 52793 3
530 . 2 . 1 101 101 ILE CB C 13 38.498 0.000 . 1 . . . . . 101 I CB . 52793 3
531 . 2 . 1 101 101 ILE CG1 C 13 29.824 0.075 . 1 . . . . . 101 I CG1 . 52793 3
532 . 2 . 1 101 101 ILE CG2 C 13 18.567 0.069 . 1 . . . . . 101 I CG2 . 52793 3
533 . 2 . 1 101 101 ILE CD1 C 13 14.719 0.058 . 1 . . . . . 101 I CD1 . 52793 3
534 . 2 . 1 102 102 ASN C C 13 176.494 0.088 . 1 . . . . . 102 N C . 52793 3
535 . 2 . 1 102 102 ASN CA C 13 56.766 0.000 . 1 . . . . . 102 N CA . 52793 3
536 . 2 . 1 102 102 ASN CB C 13 39.763 0.040 . 1 . . . . . 102 N CB . 52793 3
537 . 2 . 1 103 103 LEU CA C 13 55.697 0.000 . 1 . . . . . 103 L CA . 52793 3
538 . 2 . 1 104 104 LEU C C 13 176.748 0.000 . 1 . . . . . 104 L C . 52793 3
539 . 2 . 1 104 104 LEU CD1 C 13 25.985 0.089 . 2 . . . . . 104 L CD1 . 52793 3
540 . 2 . 1 104 104 LEU CD2 C 13 23.630 0.020 . 2 . . . . . 104 L CD2 . 52793 3
541 . 2 . 1 105 105 SER CA C 13 57.481 0.000 . 1 . . . . . 105 S CA . 52793 3
542 . 2 . 1 106 106 ARG C C 13 177.433 0.043 . 1 . . . . . 106 R C . 52793 3
543 . 2 . 1 107 107 SER CA C 13 58.416 0.020 . 1 . . . . . 107 S CA . 52793 3
544 . 2 . 1 107 107 SER CB C 13 64.597 0.000 . 1 . . . . . 107 S CB . 52793 3
545 . 2 . 1 108 108 THR CB C 13 68.716 0.037 . 1 . . . . . 108 T CB . 52793 3
546 . 2 . 1 108 108 THR CG2 C 13 22.316 0.089 . 1 . . . . . 108 T CG2 . 52793 3
547 . 2 . 1 109 109 PRO C C 13 175.587 0.147 . 1 . . . . . 109 P C . 52793 3
548 . 2 . 1 109 109 PRO CA C 13 64.223 0.000 . 1 . . . . . 109 P CA . 52793 3
549 . 2 . 1 109 109 PRO CB C 13 31.748 0.045 . 1 . . . . . 109 P CB . 52793 3
550 . 2 . 1 110 110 HIS CB C 13 30.419 0.000 . 1 . . . . . 110 H CB . 52793 3
stop_
save_
save_assigned_chemical_shifts_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4
_Assigned_chem_shift_list.Entry_ID 52793
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Name '1,3 glycerol below phase transition'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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
12 '2D DARR' . . . 52793 4
13 '3D NCOCX' . . . 52793 4
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52793 4
2 $software_2 . . 52793 4
4 $software_4 . . 52793 4
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET C C 13 174.851 0.056 . 1 . . . . . 1 M C . 52793 4
2 . 1 . 1 1 1 MET CA C 13 54.108 0.061 . 1 . . . . . 1 M CA . 52793 4
3 . 1 . 1 2 2 ASN C C 13 174.921 0.065 . 1 . . . . . 2 N C . 52793 4
4 . 1 . 1 2 2 ASN CB C 13 38.651 0.001 . 1 . . . . . 2 N CB . 52793 4
5 . 1 . 1 3 3 PRO C C 13 178.025 0.000 . 1 . . . . . 3 P C . 52793 4
6 . 1 . 1 3 3 PRO CB C 13 31.080 0.000 . 1 . . . . . 3 P CB . 52793 4
7 . 1 . 1 5 5 ILE CA C 13 64.161 0.166 . 1 . . . . . 5 I CA . 52793 4
8 . 1 . 1 5 5 ILE CG1 C 13 28.762 0.103 . 1 . . . . . 5 I CG1 . 52793 4
9 . 1 . 1 5 5 ILE CG2 C 13 18.508 0.073 . 1 . . . . . 5 I CG2 . 52793 4
10 . 1 . 1 5 5 ILE CD1 C 13 13.369 0.170 . 1 . . . . . 5 I CD1 . 52793 4
11 . 1 . 1 7 7 LEU C C 13 179.159 0.000 . 1 . . . . . 7 L C . 52793 4
12 . 1 . 1 7 7 LEU CA C 13 57.442 0.074 . 1 . . . . . 7 L CA . 52793 4
13 . 1 . 1 7 7 LEU CD2 C 13 24.452 0.041 . 2 . . . . . 7 L CD2 . 52793 4
14 . 1 . 1 10 10 ALA C C 13 182.112 0.069 . 1 . . . . . 10 A C . 52793 4
15 . 1 . 1 10 10 ALA CA C 13 55.745 0.177 . 1 . . . . . 10 A CA . 52793 4
16 . 1 . 1 10 10 ALA CB C 13 18.566 0.036 . 1 . . . . . 10 A CB . 52793 4
17 . 1 . 1 11 11 ILE CA C 13 64.621 0.071 . 1 . . . . . 11 I CA . 52793 4
18 . 1 . 1 11 11 ILE CB C 13 38.270 0.000 . 1 . . . . . 11 I CB . 52793 4
19 . 1 . 1 11 11 ILE CG2 C 13 17.799 0.040 . 1 . . . . . 11 I CG2 . 52793 4
20 . 1 . 1 11 11 ILE N N 15 123.075 0.045 . 1 . . . . . 11 I N . 52793 4
21 . 1 . 1 12 12 LEU C C 13 178.483 0.018 . 1 . . . . . 12 L C . 52793 4
22 . 1 . 1 12 12 LEU CA C 13 58.453 0.064 . 1 . . . . . 12 L CA . 52793 4
23 . 1 . 1 12 12 LEU CD1 C 13 24.525 0.111 . 2 . . . . . 12 L CD1 . 52793 4
24 . 1 . 1 13 13 ALA C C 13 178.416 0.000 . 1 . . . . . 13 A C . 52793 4
25 . 1 . 1 13 13 ALA N N 15 119.490 0.054 . 1 . . . . . 13 A N . 52793 4
26 . 1 . 1 14 14 GLU C C 13 178.501 0.060 . 1 . . . . . 14 E C . 52793 4
27 . 1 . 1 14 14 GLU CA C 13 58.389 0.016 . 1 . . . . . 14 E CA . 52793 4
28 . 1 . 1 14 14 GLU CB C 13 26.982 0.044 . 1 . . . . . 14 E CB . 52793 4
29 . 1 . 1 15 15 VAL C C 13 178.728 0.000 . 1 . . . . . 15 V C . 52793 4
30 . 1 . 1 16 16 ILE CA C 13 64.944 0.146 . 1 . . . . . 16 I CA . 52793 4
31 . 1 . 1 16 16 ILE CB C 13 37.918 0.002 . 1 . . . . . 16 I CB . 52793 4
32 . 1 . 1 16 16 ILE CG1 C 13 29.127 0.000 . 1 . . . . . 16 I CG1 . 52793 4
33 . 1 . 1 16 16 ILE CG2 C 13 17.782 0.028 . 1 . . . . . 16 I CG2 . 52793 4
34 . 1 . 1 16 16 ILE CD1 C 13 13.262 0.132 . 1 . . . . . 16 I CD1 . 52793 4
35 . 1 . 1 16 16 ILE N N 15 122.118 0.000 . 1 . . . . . 16 I N . 52793 4
36 . 1 . 1 18 18 THR C C 13 174.838 0.018 . 1 . . . . . 18 T C . 52793 4
37 . 1 . 1 18 18 THR CA C 13 65.970 0.117 . 1 . . . . . 18 T CA . 52793 4
38 . 1 . 1 18 18 THR CG2 C 13 21.588 0.033 . 1 . . . . . 18 T CG2 . 52793 4
39 . 1 . 1 19 19 THR CA C 13 67.107 0.020 . 1 . . . . . 19 T CA . 52793 4
40 . 1 . 1 19 19 THR CB C 13 68.556 0.131 . 1 . . . . . 19 T CB . 52793 4
41 . 1 . 1 19 19 THR CG2 C 13 21.724 0.000 . 1 . . . . . 19 T CG2 . 52793 4
42 . 1 . 1 21 21 MET CA C 13 59.331 0.056 . 1 . . . . . 21 M CA . 52793 4
43 . 1 . 1 21 21 MET CB C 13 31.722 0.074 . 1 . . . . . 21 M CB . 52793 4
44 . 1 . 1 22 22 LYS CA C 13 59.454 0.116 . 1 . . . . . 22 K CA . 52793 4
45 . 1 . 1 22 22 LYS CB C 13 31.011 0.049 . 1 . . . . . 22 K CB . 52793 4
46 . 1 . 1 22 22 LYS CG C 13 24.093 0.000 . 1 . . . . . 22 K CG . 52793 4
47 . 1 . 1 22 22 LYS CE C 13 42.399 0.121 . 1 . . . . . 22 K CE . 52793 4
48 . 1 . 1 24 24 SER C C 13 173.413 0.108 . 1 . . . . . 24 S C . 52793 4
49 . 1 . 1 24 24 SER CB C 13 63.866 0.042 . 1 . . . . . 24 S CB . 52793 4
50 . 1 . 1 25 25 GLU C C 13 178.233 0.000 . 1 . . . . . 25 E C . 52793 4
51 . 1 . 1 25 25 GLU CA C 13 56.035 0.067 . 1 . . . . . 25 E CA . 52793 4
52 . 1 . 1 25 25 GLU CB C 13 26.629 0.094 . 1 . . . . . 25 E CB . 52793 4
53 . 1 . 1 25 25 GLU CG C 13 35.970 0.158 . 1 . . . . . 25 E CG . 52793 4
54 . 1 . 1 25 25 GLU N N 15 121.095 0.000 . 1 . . . . . 25 E N . 52793 4
55 . 1 . 1 26 26 GLY C C 13 175.449 0.000 . 1 . . . . . 26 G C . 52793 4
56 . 1 . 1 27 27 PHE C C 13 173.754 0.175 . 1 . . . . . 27 F C . 52793 4
57 . 1 . 1 27 27 PHE CB C 13 37.141 0.000 . 1 . . . . . 27 F CB . 52793 4
58 . 1 . 1 28 28 THR C C 13 174.828 0.096 . 1 . . . . . 28 T C . 52793 4
59 . 1 . 1 28 28 THR CA C 13 61.955 0.072 . 1 . . . . . 28 T CA . 52793 4
60 . 1 . 1 28 28 THR CB C 13 70.723 0.038 . 1 . . . . . 28 T CB . 52793 4
61 . 1 . 1 28 28 THR CG2 C 13 21.570 0.073 . 1 . . . . . 28 T CG2 . 52793 4
62 . 1 . 1 28 28 THR N N 15 102.126 0.000 . 1 . . . . . 28 T N . 52793 4
63 . 1 . 1 29 29 ARG C C 13 178.105 0.116 . 1 . . . . . 29 R C . 52793 4
64 . 1 . 1 29 29 ARG CA C 13 54.102 0.069 . 1 . . . . . 29 R CA . 52793 4
65 . 1 . 1 29 29 ARG CB C 13 31.306 0.153 . 1 . . . . . 29 R CB . 52793 4
66 . 1 . 1 29 29 ARG N N 15 120.084 0.000 . 1 . . . . . 29 R N . 52793 4
67 . 1 . 1 30 30 LEU C C 13 177.385 0.000 . 1 . . . . . 30 L C . 52793 4
68 . 1 . 1 30 30 LEU CA C 13 60.188 0.045 . 1 . . . . . 30 L CA . 52793 4
69 . 1 . 1 30 30 LEU CG C 13 26.739 0.128 . 1 . . . . . 30 L CG . 52793 4
70 . 1 . 1 30 30 LEU CD1 C 13 23.270 0.000 . 2 . . . . . 30 L CD1 . 52793 4
71 . 1 . 1 30 30 LEU CD2 C 13 22.889 0.004 . 2 . . . . . 30 L CD2 . 52793 4
72 . 1 . 1 31 31 TRP C C 13 176.140 0.059 . 1 . . . . . 31 W C . 52793 4
73 . 1 . 1 31 31 TRP CB C 13 26.813 0.185 . 1 . . . . . 31 W CB . 52793 4
74 . 1 . 1 32 32 PRO C C 13 177.552 0.000 . 1 . . . . . 32 P C . 52793 4
75 . 1 . 1 32 32 PRO CA C 13 65.654 0.045 . 1 . . . . . 32 P CA . 52793 4
76 . 1 . 1 32 32 PRO CB C 13 31.482 0.148 . 1 . . . . . 32 P CB . 52793 4
77 . 1 . 1 32 32 PRO CG C 13 28.763 0.114 . 1 . . . . . 32 P CG . 52793 4
78 . 1 . 1 33 33 SER C C 13 174.896 0.048 . 1 . . . . . 33 S C . 52793 4
79 . 1 . 1 33 33 SER CA C 13 62.636 0.047 . 1 . . . . . 33 S CA . 52793 4
80 . 1 . 1 33 33 SER CB C 13 64.503 0.000 . 1 . . . . . 33 S CB . 52793 4
81 . 1 . 1 33 33 SER N N 15 115.518 0.000 . 1 . . . . . 33 S N . 52793 4
82 . 1 . 1 34 34 VAL C C 13 178.644 0.000 . 1 . . . . . 34 V C . 52793 4
83 . 1 . 1 34 34 VAL CG1 C 13 21.796 0.078 . 2 . . . . . 34 V CG1 . 52793 4
84 . 1 . 1 34 34 VAL CG2 C 13 23.001 0.002 . 2 . . . . . 34 V CG2 . 52793 4
85 . 1 . 1 34 34 VAL N N 15 122.290 0.009 . 1 . . . . . 34 V N . 52793 4
86 . 1 . 1 35 35 GLY C C 13 174.763 0.087 . 1 . . . . . 35 G C . 52793 4
87 . 1 . 1 36 36 THR C C 13 174.803 0.106 . 1 . . . . . 36 T C . 52793 4
88 . 1 . 1 36 36 THR CA C 13 67.058 0.058 . 1 . . . . . 36 T CA . 52793 4
89 . 1 . 1 36 36 THR CB C 13 68.729 0.095 . 1 . . . . . 36 T CB . 52793 4
90 . 1 . 1 36 36 THR CG2 C 13 22.219 0.000 . 1 . . . . . 36 T CG2 . 52793 4
91 . 1 . 1 37 37 ILE C C 13 178.899 0.039 . 1 . . . . . 37 I C . 52793 4
92 . 1 . 1 37 37 ILE CA C 13 64.921 0.088 . 1 . . . . . 37 I CA . 52793 4
93 . 1 . 1 37 37 ILE CB C 13 37.267 0.000 . 1 . . . . . 37 I CB . 52793 4
94 . 1 . 1 37 37 ILE CG1 C 13 29.394 0.046 . 1 . . . . . 37 I CG1 . 52793 4
95 . 1 . 1 37 37 ILE CD1 C 13 14.404 0.134 . 1 . . . . . 37 I CD1 . 52793 4
96 . 1 . 1 37 37 ILE N N 15 119.468 0.000 . 1 . . . . . 37 I N . 52793 4
97 . 1 . 1 38 38 ILE C C 13 177.880 0.000 . 1 . . . . . 38 I C . 52793 4
98 . 1 . 1 38 38 ILE CG2 C 13 17.866 0.115 . 1 . . . . . 38 I CG2 . 52793 4
99 . 1 . 1 38 38 ILE CD1 C 13 15.140 0.000 . 1 . . . . . 38 I CD1 . 52793 4
100 . 1 . 1 39 39 CYS CB C 13 29.163 0.000 . 1 . . . . . 39 C CB . 52793 4
101 . 1 . 1 40 40 TYR C C 13 178.799 0.040 . 1 . . . . . 40 Y C . 52793 4
102 . 1 . 1 41 41 CYS N N 15 117.450 0.000 . 1 . . . . . 41 C N . 52793 4
103 . 1 . 1 42 42 ALA C C 13 178.692 0.000 . 1 . . . . . 42 A C . 52793 4
104 . 1 . 1 42 42 ALA CA C 13 55.592 0.089 . 1 . . . . . 42 A CA . 52793 4
105 . 1 . 1 43 43 SER C C 13 176.114 0.032 . 1 . . . . . 43 S C . 52793 4
106 . 1 . 1 43 43 SER CA C 13 63.519 0.000 . 1 . . . . . 43 S CA . 52793 4
107 . 1 . 1 43 43 SER CB C 13 65.052 0.000 . 1 . . . . . 43 S CB . 52793 4
108 . 1 . 1 45 45 TRP C C 13 178.478 0.039 . 1 . . . . . 45 W C . 52793 4
109 . 1 . 1 45 45 TRP CA C 13 63.007 0.070 . 1 . . . . . 45 W CA . 52793 4
110 . 1 . 1 45 45 TRP CB C 13 27.952 0.000 . 1 . . . . . 45 W CB . 52793 4
111 . 1 . 1 46 46 LEU CA C 13 58.452 0.013 . 1 . . . . . 46 L CA . 52793 4
112 . 1 . 1 46 46 LEU CB C 13 40.788 0.000 . 1 . . . . . 46 L CB . 52793 4
113 . 1 . 1 46 46 LEU CD2 C 13 23.679 0.000 . 2 . . . . . 46 L CD2 . 52793 4
114 . 1 . 1 46 46 LEU N N 15 118.926 0.000 . 1 . . . . . 46 L N . 52793 4
115 . 1 . 1 47 47 LEU C C 13 178.635 0.000 . 1 . . . . . 47 L C . 52793 4
116 . 1 . 1 47 47 LEU CG C 13 26.723 0.000 . 1 . . . . . 47 L CG . 52793 4
117 . 1 . 1 47 47 LEU CD1 C 13 24.503 0.075 . 2 . . . . . 47 L CD1 . 52793 4
118 . 1 . 1 47 47 LEU CD2 C 13 23.066 0.128 . 2 . . . . . 47 L CD2 . 52793 4
119 . 1 . 1 48 48 ALA CA C 13 54.651 0.106 . 1 . . . . . 48 A CA . 52793 4
120 . 1 . 1 48 48 ALA CB C 13 18.447 0.000 . 1 . . . . . 48 A CB . 52793 4
121 . 1 . 1 49 49 GLN CA C 13 56.347 0.115 . 1 . . . . . 49 Q CA . 52793 4
122 . 1 . 1 49 49 GLN CB C 13 26.392 0.017 . 1 . . . . . 49 Q CB . 52793 4
123 . 1 . 1 50 50 THR C C 13 177.041 0.013 . 1 . . . . . 50 T C . 52793 4
124 . 1 . 1 50 50 THR CA C 13 63.834 0.000 . 1 . . . . . 50 T CA . 52793 4
125 . 1 . 1 50 50 THR CB C 13 69.579 0.013 . 1 . . . . . 50 T CB . 52793 4
126 . 1 . 1 50 50 THR CG2 C 13 22.977 0.027 . 1 . . . . . 50 T CG2 . 52793 4
127 . 1 . 1 51 51 LEU CA C 13 55.949 0.069 . 1 . . . . . 51 L CA . 52793 4
128 . 1 . 1 51 51 LEU CG C 13 26.360 0.031 . 1 . . . . . 51 L CG . 52793 4
129 . 1 . 1 52 52 ALA C C 13 177.049 0.061 . 1 . . . . . 52 A C . 52793 4
130 . 1 . 1 52 52 ALA CA C 13 52.903 0.075 . 1 . . . . . 52 A CA . 52793 4
131 . 1 . 1 52 52 ALA CB C 13 17.938 0.178 . 1 . . . . . 52 A CB . 52793 4
132 . 1 . 1 53 53 TYR C C 13 176.061 0.000 . 1 . . . . . 53 Y C . 52793 4
133 . 1 . 1 54 54 ILE CA C 13 57.674 0.000 . 1 . . . . . 54 I CA . 52793 4
134 . 1 . 1 54 54 ILE CB C 13 39.969 0.000 . 1 . . . . . 54 I CB . 52793 4
135 . 1 . 1 54 54 ILE CG1 C 13 26.739 0.110 . 1 . . . . . 54 I CG1 . 52793 4
136 . 1 . 1 54 54 ILE CG2 C 13 17.866 0.078 . 1 . . . . . 54 I CG2 . 52793 4
137 . 1 . 1 55 55 PRO C C 13 177.948 0.000 . 1 . . . . . 55 P C . 52793 4
138 . 1 . 1 55 55 PRO CA C 13 63.011 0.000 . 1 . . . . . 55 P CA . 52793 4
139 . 1 . 1 55 55 PRO CB C 13 33.047 0.006 . 1 . . . . . 55 P CB . 52793 4
140 . 1 . 1 55 55 PRO CG C 13 27.995 0.010 . 1 . . . . . 55 P CG . 52793 4
141 . 1 . 1 56 56 THR C C 13 176.004 0.000 . 1 . . . . . 56 T C . 52793 4
142 . 1 . 1 56 56 THR CB C 13 68.756 0.088 . 1 . . . . . 56 T CB . 52793 4
143 . 1 . 1 56 56 THR N N 15 118.459 0.000 . 1 . . . . . 56 T N . 52793 4
144 . 1 . 1 58 58 ILE C C 13 176.738 0.145 . 1 . . . . . 58 I C . 52793 4
145 . 1 . 1 58 58 ILE CA C 13 62.564 0.031 . 1 . . . . . 58 I CA . 52793 4
146 . 1 . 1 58 58 ILE CG1 C 13 29.273 0.023 . 1 . . . . . 58 I CG1 . 52793 4
147 . 1 . 1 58 58 ILE CG2 C 13 17.811 0.059 . 1 . . . . . 58 I CG2 . 52793 4
148 . 1 . 1 59 59 ALA N N 15 121.576 0.000 . 1 . . . . . 59 A N . 52793 4
149 . 1 . 1 61 61 ALA C C 13 179.729 0.105 . 1 . . . . . 61 A C . 52793 4
150 . 1 . 1 61 61 ALA CA C 13 55.776 0.065 . 1 . . . . . 61 A CA . 52793 4
151 . 1 . 1 61 61 ALA CB C 13 18.314 0.133 . 1 . . . . . 61 A CB . 52793 4
152 . 1 . 1 62 62 ILE C C 13 176.837 0.117 . 1 . . . . . 62 I C . 52793 4
153 . 1 . 1 62 62 ILE CA C 13 64.560 0.034 . 1 . . . . . 62 I CA . 52793 4
154 . 1 . 1 62 62 ILE CB C 13 38.405 0.000 . 1 . . . . . 62 I CB . 52793 4
155 . 1 . 1 62 62 ILE CG2 C 13 18.002 0.171 . 1 . . . . . 62 I CG2 . 52793 4
156 . 1 . 1 62 62 ILE CD1 C 13 14.736 0.025 . 1 . . . . . 62 I CD1 . 52793 4
157 . 1 . 1 63 63 TRP CB C 13 28.780 0.023 . 1 . . . . . 63 W CB . 52793 4
158 . 1 . 1 65 65 GLY C C 13 176.325 0.000 . 1 . . . . . 65 G C . 52793 4
159 . 1 . 1 66 66 VAL C C 13 178.149 0.066 . 1 . . . . . 66 V C . 52793 4
160 . 1 . 1 66 66 VAL CA C 13 66.183 0.007 . 1 . . . . . 66 V CA . 52793 4
161 . 1 . 1 66 66 VAL CB C 13 30.739 0.005 . 1 . . . . . 66 V CB . 52793 4
162 . 1 . 1 67 67 GLY C C 13 174.752 0.092 . 1 . . . . . 67 G C . 52793 4
163 . 1 . 1 67 67 GLY N N 15 104.169 0.050 . 1 . . . . . 67 G N . 52793 4
164 . 1 . 1 68 68 ILE C C 13 179.088 0.127 . 1 . . . . . 68 I C . 52793 4
165 . 1 . 1 68 68 ILE CA C 13 66.172 0.072 . 1 . . . . . 68 I CA . 52793 4
166 . 1 . 1 68 68 ILE CB C 13 38.096 0.086 . 1 . . . . . 68 I CB . 52793 4
167 . 1 . 1 68 68 ILE CG1 C 13 29.385 0.046 . 1 . . . . . 68 I CG1 . 52793 4
168 . 1 . 1 68 68 ILE CG2 C 13 17.881 0.089 . 1 . . . . . 68 I CG2 . 52793 4
169 . 1 . 1 68 68 ILE CD1 C 13 14.697 0.125 . 1 . . . . . 68 I CD1 . 52793 4
170 . 1 . 1 69 69 VAL C C 13 177.731 0.000 . 1 . . . . . 69 V C . 52793 4
171 . 1 . 1 69 69 VAL CG1 C 13 21.781 0.173 . 2 . . . . . 69 V CG1 . 52793 4
172 . 1 . 1 69 69 VAL CG2 C 13 23.092 0.069 . 2 . . . . . 69 V CG2 . 52793 4
173 . 1 . 1 69 69 VAL N N 15 119.477 0.000 . 1 . . . . . 69 V N . 52793 4
174 . 1 . 1 70 70 LEU C C 13 178.912 0.000 . 1 . . . . . 70 L C . 52793 4
175 . 1 . 1 70 70 LEU CA C 13 58.341 0.115 . 1 . . . . . 70 L CA . 52793 4
176 . 1 . 1 70 70 LEU CB C 13 41.927 0.164 . 1 . . . . . 70 L CB . 52793 4
177 . 1 . 1 70 70 LEU CD1 C 13 25.414 0.146 . 2 . . . . . 70 L CD1 . 52793 4
178 . 1 . 1 70 70 LEU CD2 C 13 22.955 0.043 . 2 . . . . . 70 L CD2 . 52793 4
179 . 1 . 1 70 70 LEU N N 15 117.572 0.000 . 1 . . . . . 70 L N . 52793 4
180 . 1 . 1 71 71 ILE CG1 C 13 28.762 0.102 . 1 . . . . . 71 I CG1 . 52793 4
181 . 1 . 1 71 71 ILE CG2 C 13 17.297 0.038 . 1 . . . . . 71 I CG2 . 52793 4
182 . 1 . 1 71 71 ILE CD1 C 13 14.627 0.010 . 1 . . . . . 71 I CD1 . 52793 4
183 . 1 . 1 72 72 SER C C 13 176.665 0.058 . 1 . . . . . 72 S C . 52793 4
184 . 1 . 1 73 73 LEU C C 13 178.019 0.000 . 1 . . . . . 73 L C . 52793 4
185 . 1 . 1 73 73 LEU CA C 13 58.412 0.072 . 1 . . . . . 73 L CA . 52793 4
186 . 1 . 1 73 73 LEU CG C 13 26.734 0.126 . 1 . . . . . 73 L CG . 52793 4
187 . 1 . 1 73 73 LEU CD1 C 13 25.722 0.000 . 2 . . . . . 73 L CD1 . 52793 4
188 . 1 . 1 73 73 LEU CD2 C 13 23.760 0.130 . 2 . . . . . 73 L CD2 . 52793 4
189 . 1 . 1 73 73 LEU N N 15 124.093 0.000 . 1 . . . . . 73 L N . 52793 4
190 . 1 . 1 74 74 LEU C C 13 179.455 0.021 . 1 . . . . . 74 L C . 52793 4
191 . 1 . 1 74 74 LEU CA C 13 60.087 0.000 . 1 . . . . . 74 L CA . 52793 4
192 . 1 . 1 74 74 LEU CB C 13 40.831 0.000 . 1 . . . . . 74 L CB . 52793 4
193 . 1 . 1 74 74 LEU CG C 13 26.978 0.000 . 1 . . . . . 74 L CG . 52793 4
194 . 1 . 1 74 74 LEU CD1 C 13 25.296 0.038 . 2 . . . . . 74 L CD1 . 52793 4
195 . 1 . 1 74 74 LEU CD2 C 13 23.347 0.000 . 2 . . . . . 74 L CD2 . 52793 4
196 . 1 . 1 75 75 SER C C 13 176.984 0.149 . 1 . . . . . 75 S C . 52793 4
197 . 1 . 1 75 75 SER CA C 13 62.502 0.060 . 1 . . . . . 75 S CA . 52793 4
198 . 1 . 1 75 75 SER CB C 13 60.119 0.074 . 1 . . . . . 75 S CB . 52793 4
199 . 1 . 1 76 76 TRP C C 13 179.670 0.000 . 1 . . . . . 76 W C . 52793 4
200 . 1 . 1 76 76 TRP CA C 13 58.536 0.057 . 1 . . . . . 76 W CA . 52793 4
201 . 1 . 1 76 76 TRP N N 15 124.130 0.000 . 1 . . . . . 76 W N . 52793 4
202 . 1 . 1 78 78 PHE C C 13 176.604 0.138 . 1 . . . . . 78 F C . 52793 4
203 . 1 . 1 78 78 PHE CB C 13 39.429 0.000 . 1 . . . . . 78 F CB . 52793 4
204 . 1 . 1 81 81 GLN C C 13 173.508 0.000 . 1 . . . . . 81 Q C . 52793 4
205 . 1 . 1 81 81 GLN CA C 13 54.076 0.035 . 1 . . . . . 81 Q CA . 52793 4
206 . 1 . 1 82 82 ARG CA C 13 55.677 0.033 . 1 . . . . . 82 R CA . 52793 4
207 . 1 . 1 82 82 ARG CB C 13 31.201 0.050 . 1 . . . . . 82 R CB . 52793 4
208 . 1 . 1 83 83 LEU C C 13 177.098 0.000 . 1 . . . . . 83 L C . 52793 4
209 . 1 . 1 83 83 LEU CG C 13 27.341 0.086 . 1 . . . . . 83 L CG . 52793 4
210 . 1 . 1 83 83 LEU CD1 C 13 26.253 0.051 . 2 . . . . . 83 L CD1 . 52793 4
211 . 1 . 1 84 84 ASP C C 13 175.027 0.131 . 1 . . . . . 84 D C . 52793 4
212 . 1 . 1 84 84 ASP CA C 13 51.066 0.066 . 1 . . . . . 84 D CA . 52793 4
213 . 1 . 1 84 84 ASP CB C 13 41.428 0.019 . 1 . . . . . 84 D CB . 52793 4
214 . 1 . 1 84 84 ASP CG C 13 180.518 0.163 . 1 . . . . . 84 D CG . 52793 4
215 . 1 . 1 85 85 LEU C C 13 175.892 0.000 . 1 . . . . . 85 L C . 52793 4
216 . 1 . 1 85 85 LEU CA C 13 59.554 0.063 . 1 . . . . . 85 L CA . 52793 4
217 . 1 . 1 85 85 LEU CG C 13 27.451 0.000 . 1 . . . . . 85 L CG . 52793 4
218 . 1 . 1 85 85 LEU CD1 C 13 25.500 0.020 . 2 . . . . . 85 L CD1 . 52793 4
219 . 1 . 1 85 85 LEU CD2 C 13 24.266 0.122 . 2 . . . . . 85 L CD2 . 52793 4
220 . 1 . 1 86 86 PRO C C 13 177.846 0.000 . 1 . . . . . 86 P C . 52793 4
221 . 1 . 1 86 86 PRO CA C 13 66.295 0.072 . 1 . . . . . 86 P CA . 52793 4
222 . 1 . 1 86 86 PRO CB C 13 31.682 0.000 . 1 . . . . . 86 P CB . 52793 4
223 . 1 . 1 87 87 ALA CA C 13 55.928 0.000 . 1 . . . . . 87 A CA . 52793 4
224 . 1 . 1 87 87 ALA CB C 13 17.572 0.196 . 1 . . . . . 87 A CB . 52793 4
225 . 1 . 1 88 88 ILE C C 13 178.236 0.072 . 1 . . . . . 88 I C . 52793 4
226 . 1 . 1 88 88 ILE CA C 13 64.956 0.033 . 1 . . . . . 88 I CA . 52793 4
227 . 1 . 1 89 89 ILE C C 13 178.459 0.000 . 1 . . . . . 89 I C . 52793 4
228 . 1 . 1 89 89 ILE CB C 13 37.050 0.085 . 1 . . . . . 89 I CB . 52793 4
229 . 1 . 1 89 89 ILE CG1 C 13 29.109 0.057 . 1 . . . . . 89 I CG1 . 52793 4
230 . 1 . 1 89 89 ILE CG2 C 13 17.249 0.074 . 1 . . . . . 89 I CG2 . 52793 4
231 . 1 . 1 89 89 ILE CD1 C 13 13.264 0.114 . 1 . . . . . 89 I CD1 . 52793 4
232 . 1 . 1 89 89 ILE N N 15 119.076 0.035 . 1 . . . . . 89 I N . 52793 4
233 . 1 . 1 90 90 GLY C C 13 175.521 0.096 . 1 . . . . . 90 G C . 52793 4
234 . 1 . 1 91 91 MET C C 13 178.549 0.110 . 1 . . . . . 91 M C . 52793 4
235 . 1 . 1 91 91 MET CB C 13 32.803 0.074 . 1 . . . . . 91 M CB . 52793 4
236 . 1 . 1 91 91 MET CG C 13 34.186 0.142 . 1 . . . . . 91 M CG . 52793 4
237 . 1 . 1 91 91 MET CE C 13 16.621 0.121 . 1 . . . . . 91 M CE . 52793 4
238 . 1 . 1 92 92 MET C C 13 177.897 0.038 . 1 . . . . . 92 M C . 52793 4
239 . 1 . 1 92 92 MET CA C 13 60.250 0.000 . 1 . . . . . 92 M CA . 52793 4
240 . 1 . 1 92 92 MET CG C 13 31.351 0.037 . 1 . . . . . 92 M CG . 52793 4
241 . 1 . 1 92 92 MET CE C 13 16.709 0.077 . 1 . . . . . 92 M CE . 52793 4
242 . 1 . 1 93 93 LEU C C 13 178.808 0.020 . 1 . . . . . 93 L C . 52793 4
243 . 1 . 1 93 93 LEU CA C 13 58.166 0.000 . 1 . . . . . 93 L CA . 52793 4
244 . 1 . 1 93 93 LEU CG C 13 26.508 0.004 . 1 . . . . . 93 L CG . 52793 4
245 . 1 . 1 93 93 LEU CD1 C 13 25.397 0.106 . 2 . . . . . 93 L CD1 . 52793 4
246 . 1 . 1 93 93 LEU CD2 C 13 22.964 0.160 . 2 . . . . . 93 L CD2 . 52793 4
247 . 1 . 1 94 94 ILE C C 13 177.740 0.000 . 1 . . . . . 94 I C . 52793 4
248 . 1 . 1 94 94 ILE CA C 13 65.718 0.190 . 1 . . . . . 94 I CA . 52793 4
249 . 1 . 1 94 94 ILE CG1 C 13 29.052 0.000 . 1 . . . . . 94 I CG1 . 52793 4
250 . 1 . 1 94 94 ILE CG2 C 13 17.159 0.150 . 1 . . . . . 94 I CG2 . 52793 4
251 . 1 . 1 94 94 ILE CD1 C 13 13.485 0.070 . 1 . . . . . 94 I CD1 . 52793 4
252 . 1 . 1 95 95 CYS CA C 13 64.741 0.192 . 1 . . . . . 95 C CA . 52793 4
253 . 1 . 1 96 96 ALA C C 13 178.947 0.014 . 1 . . . . . 96 A C . 52793 4
254 . 1 . 1 96 96 ALA CA C 13 55.925 0.039 . 1 . . . . . 96 A CA . 52793 4
255 . 1 . 1 96 96 ALA CB C 13 18.477 0.000 . 1 . . . . . 96 A CB . 52793 4
256 . 1 . 1 97 97 GLY C C 13 175.190 0.000 . 1 . . . . . 97 G C . 52793 4
257 . 1 . 1 97 97 GLY N N 15 105.648 0.000 . 1 . . . . . 97 G N . 52793 4
258 . 1 . 1 98 98 VAL C C 13 177.967 0.155 . 1 . . . . . 98 V C . 52793 4
259 . 1 . 1 98 98 VAL CB C 13 32.022 0.000 . 1 . . . . . 98 V CB . 52793 4
260 . 1 . 1 98 98 VAL CG1 C 13 21.670 0.066 . 2 . . . . . 98 V CG1 . 52793 4
261 . 1 . 1 98 98 VAL CG2 C 13 22.884 0.000 . 2 . . . . . 98 V CG2 . 52793 4
262 . 1 . 1 98 98 VAL N N 15 120.968 0.000 . 1 . . . . . 98 V N . 52793 4
263 . 1 . 1 99 99 LEU C C 13 178.015 0.000 . 1 . . . . . 99 L C . 52793 4
264 . 1 . 1 99 99 LEU CA C 13 58.465 0.034 . 1 . . . . . 99 L CA . 52793 4
265 . 1 . 1 99 99 LEU CG C 13 26.969 0.054 . 1 . . . . . 99 L CG . 52793 4
266 . 1 . 1 99 99 LEU CD1 C 13 23.922 0.000 . 2 . . . . . 99 L CD1 . 52793 4
267 . 1 . 1 99 99 LEU CD2 C 13 23.828 0.011 . 2 . . . . . 99 L CD2 . 52793 4
268 . 1 . 1 100 100 ILE C C 13 177.534 0.000 . 1 . . . . . 100 I C . 52793 4
269 . 1 . 1 100 100 ILE CA C 13 66.096 0.057 . 1 . . . . . 100 I CA . 52793 4
270 . 1 . 1 100 100 ILE CG1 C 13 29.269 0.078 . 1 . . . . . 100 I CG1 . 52793 4
271 . 1 . 1 101 101 ILE C C 13 177.031 0.001 . 1 . . . . . 101 I C . 52793 4
272 . 1 . 1 101 101 ILE CA C 13 65.671 0.144 . 1 . . . . . 101 I CA . 52793 4
273 . 1 . 1 101 101 ILE CB C 13 38.393 0.174 . 1 . . . . . 101 I CB . 52793 4
274 . 1 . 1 101 101 ILE CG2 C 13 18.304 0.029 . 1 . . . . . 101 I CG2 . 52793 4
275 . 1 . 1 102 102 ASN C C 13 176.770 0.090 . 1 . . . . . 102 N C . 52793 4
276 . 1 . 1 102 102 ASN CB C 13 39.550 0.000 . 1 . . . . . 102 N CB . 52793 4
277 . 1 . 1 102 102 ASN CG C 13 176.142 0.024 . 1 . . . . . 102 N CG . 52793 4
278 . 1 . 1 102 102 ASN N N 15 115.135 0.000 . 1 . . . . . 102 N N . 52793 4
279 . 1 . 1 103 103 LEU C C 13 178.382 0.039 . 1 . . . . . 103 L C . 52793 4
280 . 1 . 1 103 103 LEU CD1 C 13 25.169 0.000 . 2 . . . . . 103 L CD1 . 52793 4
281 . 1 . 1 103 103 LEU CD2 C 13 24.430 0.080 . 2 . . . . . 103 L CD2 . 52793 4
282 . 1 . 1 104 104 LEU C C 13 176.605 0.000 . 1 . . . . . 104 L C . 52793 4
283 . 1 . 1 104 104 LEU CA C 13 54.338 0.000 . 1 . . . . . 104 L CA . 52793 4
284 . 1 . 1 104 104 LEU CG C 13 26.665 0.000 . 1 . . . . . 104 L CG . 52793 4
285 . 1 . 1 104 104 LEU CD1 C 13 26.864 0.132 . 2 . . . . . 104 L CD1 . 52793 4
286 . 1 . 1 105 105 SER C C 13 175.289 0.091 . 1 . . . . . 105 S C . 52793 4
287 . 1 . 1 105 105 SER CA C 13 58.469 0.000 . 1 . . . . . 105 S CA . 52793 4
288 . 1 . 1 105 105 SER CB C 13 64.625 0.025 . 1 . . . . . 105 S CB . 52793 4
289 . 1 . 1 106 106 ARG C C 13 176.817 0.073 . 1 . . . . . 106 R C . 52793 4
290 . 1 . 1 106 106 ARG CB C 13 30.532 0.161 . 1 . . . . . 106 R CB . 52793 4
291 . 1 . 1 106 106 ARG CG C 13 27.251 0.012 . 1 . . . . . 106 R CG . 52793 4
292 . 1 . 1 107 107 SER C C 13 174.235 0.066 . 1 . . . . . 107 S C . 52793 4
293 . 1 . 1 107 107 SER CA C 13 58.305 0.056 . 1 . . . . . 107 S CA . 52793 4
294 . 1 . 1 107 107 SER N N 15 116.572 0.013 . 1 . . . . . 107 S N . 52793 4
295 . 1 . 1 109 109 PRO C C 13 176.278 0.150 . 1 . . . . . 109 P C . 52793 4
296 . 1 . 1 109 109 PRO CA C 13 64.469 0.040 . 1 . . . . . 109 P CA . 52793 4
297 . 1 . 1 109 109 PRO CB C 13 30.502 0.011 . 1 . . . . . 109 P CB . 52793 4
298 . 1 . 1 109 109 PRO CD C 13 50.856 0.000 . 1 . . . . . 109 P CD . 52793 4
299 . 2 . 1 1 1 MET CA C 13 54.074 0.000 . 1 . . . . . 1 M CA . 52793 4
300 . 2 . 1 2 2 ASN C C 13 175.383 0.002 . 1 . . . . . 2 N C . 52793 4
301 . 2 . 1 2 2 ASN CB C 13 38.942 0.004 . 1 . . . . . 2 N CB . 52793 4
302 . 2 . 1 3 3 PRO CA C 13 64.545 0.000 . 1 . . . . . 3 P CA . 52793 4
303 . 2 . 1 3 3 PRO CB C 13 31.613 0.000 . 1 . . . . . 3 P CB . 52793 4
304 . 2 . 1 5 5 ILE C C 13 178.088 0.142 . 1 . . . . . 5 I C . 52793 4
305 . 2 . 1 5 5 ILE CA C 13 64.731 0.162 . 1 . . . . . 5 I CA . 52793 4
306 . 2 . 1 5 5 ILE CG1 C 13 28.888 0.110 . 1 . . . . . 5 I CG1 . 52793 4
307 . 2 . 1 5 5 ILE CG2 C 13 17.269 0.049 . 1 . . . . . 5 I CG2 . 52793 4
308 . 2 . 1 5 5 ILE CD1 C 13 13.299 0.067 . 1 . . . . . 5 I CD1 . 52793 4
309 . 2 . 1 6 6 TYR C C 13 177.879 0.026 . 1 . . . . . 6 Y C . 52793 4
310 . 2 . 1 6 6 TYR CB C 13 36.946 0.120 . 1 . . . . . 6 Y CB . 52793 4
311 . 2 . 1 6 6 TYR N N 15 118.861 0.000 . 1 . . . . . 6 Y N . 52793 4
312 . 2 . 1 7 7 LEU C C 13 178.816 0.068 . 1 . . . . . 7 L C . 52793 4
313 . 2 . 1 7 7 LEU CA C 13 57.715 0.035 . 1 . . . . . 7 L CA . 52793 4
314 . 2 . 1 7 7 LEU CB C 13 41.417 0.083 . 1 . . . . . 7 L CB . 52793 4
315 . 2 . 1 8 8 GLY C C 13 175.428 0.008 . 1 . . . . . 8 G C . 52793 4
316 . 2 . 1 8 8 GLY N N 15 105.290 0.000 . 1 . . . . . 8 G N . 52793 4
317 . 2 . 1 9 9 GLY C C 13 174.242 0.071 . 1 . . . . . 9 G C . 52793 4
318 . 2 . 1 10 10 ALA C C 13 182.137 0.062 . 1 . . . . . 10 A C . 52793 4
319 . 2 . 1 10 10 ALA CA C 13 55.938 0.000 . 1 . . . . . 10 A CA . 52793 4
320 . 2 . 1 10 10 ALA CB C 13 18.698 0.106 . 1 . . . . . 10 A CB . 52793 4
321 . 2 . 1 10 10 ALA N N 15 124.369 0.170 . 1 . . . . . 10 A N . 52793 4
322 . 2 . 1 11 11 ILE C C 13 177.051 0.060 . 1 . . . . . 11 I C . 52793 4
323 . 2 . 1 11 11 ILE CA C 13 64.633 0.117 . 1 . . . . . 11 I CA . 52793 4
324 . 2 . 1 11 11 ILE CB C 13 38.293 0.087 . 1 . . . . . 11 I CB . 52793 4
325 . 2 . 1 11 11 ILE CG2 C 13 17.916 0.122 . 1 . . . . . 11 I CG2 . 52793 4
326 . 2 . 1 11 11 ILE CD1 C 13 14.056 0.056 . 1 . . . . . 11 I CD1 . 52793 4
327 . 2 . 1 11 11 ILE N N 15 123.140 0.094 . 1 . . . . . 11 I N . 52793 4
328 . 2 . 1 12 12 LEU C C 13 178.287 0.025 . 1 . . . . . 12 L C . 52793 4
329 . 2 . 1 13 13 ALA CB C 13 17.289 0.077 . 1 . . . . . 13 A CB . 52793 4
330 . 2 . 1 14 14 GLU C C 13 177.723 0.000 . 1 . . . . . 14 E C . 52793 4
331 . 2 . 1 14 14 GLU CA C 13 58.412 0.051 . 1 . . . . . 14 E CA . 52793 4
332 . 2 . 1 15 15 VAL C C 13 179.212 0.000 . 1 . . . . . 15 V C . 52793 4
333 . 2 . 1 15 15 VAL CA C 13 66.192 0.025 . 1 . . . . . 15 V CA . 52793 4
334 . 2 . 1 15 15 VAL CB C 13 31.724 0.064 . 1 . . . . . 15 V CB . 52793 4
335 . 2 . 1 15 15 VAL CG1 C 13 22.087 0.000 . 2 . . . . . 15 V CG1 . 52793 4
336 . 2 . 1 15 15 VAL CG2 C 13 21.542 0.106 . 2 . . . . . 15 V CG2 . 52793 4
337 . 2 . 1 15 15 VAL N N 15 121.694 0.000 . 1 . . . . . 15 V N . 52793 4
338 . 2 . 1 16 16 ILE C C 13 179.367 0.099 . 1 . . . . . 16 I C . 52793 4
339 . 2 . 1 16 16 ILE CA C 13 66.526 0.087 . 1 . . . . . 16 I CA . 52793 4
340 . 2 . 1 16 16 ILE CB C 13 38.253 0.000 . 1 . . . . . 16 I CB . 52793 4
341 . 2 . 1 16 16 ILE CG1 C 13 29.707 0.000 . 1 . . . . . 16 I CG1 . 52793 4
342 . 2 . 1 16 16 ILE CG2 C 13 17.787 0.063 . 1 . . . . . 16 I CG2 . 52793 4
343 . 2 . 1 16 16 ILE CD1 C 13 13.574 0.102 . 1 . . . . . 16 I CD1 . 52793 4
344 . 2 . 1 17 17 GLY C C 13 174.280 0.074 . 1 . . . . . 17 G C . 52793 4
345 . 2 . 1 18 18 THR C C 13 177.550 0.151 . 1 . . . . . 18 T C . 52793 4
346 . 2 . 1 18 18 THR CA C 13 66.143 0.020 . 1 . . . . . 18 T CA . 52793 4
347 . 2 . 1 18 18 THR CB C 13 68.758 0.053 . 1 . . . . . 18 T CB . 52793 4
348 . 2 . 1 18 18 THR CG2 C 13 21.547 0.128 . 1 . . . . . 18 T CG2 . 52793 4
349 . 2 . 1 19 19 THR C C 13 176.066 0.111 . 1 . . . . . 19 T C . 52793 4
350 . 2 . 1 19 19 THR CA C 13 67.777 0.118 . 1 . . . . . 19 T CA . 52793 4
351 . 2 . 1 19 19 THR CB C 13 68.718 0.071 . 1 . . . . . 19 T CB . 52793 4
352 . 2 . 1 19 19 THR CG2 C 13 22.062 0.054 . 1 . . . . . 19 T CG2 . 52793 4
353 . 2 . 1 20 20 LEU C C 13 178.276 0.120 . 1 . . . . . 20 L C . 52793 4
354 . 2 . 1 20 20 LEU CA C 13 57.660 0.072 . 1 . . . . . 20 L CA . 52793 4
355 . 2 . 1 20 20 LEU CG C 13 27.002 0.000 . 1 . . . . . 20 L CG . 52793 4
356 . 2 . 1 20 20 LEU CD1 C 13 23.760 0.133 . 2 . . . . . 20 L CD1 . 52793 4
357 . 2 . 1 21 21 MET CG C 13 32.793 0.000 . 1 . . . . . 21 M CG . 52793 4
358 . 2 . 1 22 22 LYS C C 13 180.521 0.072 . 1 . . . . . 22 K C . 52793 4
359 . 2 . 1 22 22 LYS CA C 13 59.536 0.028 . 1 . . . . . 22 K CA . 52793 4
360 . 2 . 1 22 22 LYS CB C 13 30.528 0.000 . 1 . . . . . 22 K CB . 52793 4
361 . 2 . 1 22 22 LYS CD C 13 29.000 0.000 . 1 . . . . . 22 K CD . 52793 4
362 . 2 . 1 24 24 SER C C 13 173.408 0.100 . 1 . . . . . 24 S C . 52793 4
363 . 2 . 1 24 24 SER CB C 13 63.836 0.075 . 1 . . . . . 24 S CB . 52793 4
364 . 2 . 1 25 25 GLU C C 13 178.127 0.173 . 1 . . . . . 25 E C . 52793 4
365 . 2 . 1 25 25 GLU CA C 13 56.056 0.068 . 1 . . . . . 25 E CA . 52793 4
366 . 2 . 1 25 25 GLU CB C 13 26.820 0.107 . 1 . . . . . 25 E CB . 52793 4
367 . 2 . 1 25 25 GLU CG C 13 35.962 0.191 . 1 . . . . . 25 E CG . 52793 4
368 . 2 . 1 27 27 PHE CB C 13 36.944 0.000 . 1 . . . . . 27 F CB . 52793 4
369 . 2 . 1 28 28 THR C C 13 174.886 0.105 . 1 . . . . . 28 T C . 52793 4
370 . 2 . 1 28 28 THR CA C 13 61.967 0.085 . 1 . . . . . 28 T CA . 52793 4
371 . 2 . 1 28 28 THR CB C 13 70.706 0.034 . 1 . . . . . 28 T CB . 52793 4
372 . 2 . 1 28 28 THR CG2 C 13 21.565 0.055 . 1 . . . . . 28 T CG2 . 52793 4
373 . 2 . 1 29 29 ARG C C 13 177.985 0.135 . 1 . . . . . 29 R C . 52793 4
374 . 2 . 1 29 29 ARG CA C 13 54.107 0.057 . 1 . . . . . 29 R CA . 52793 4
375 . 2 . 1 29 29 ARG CB C 13 31.197 0.013 . 1 . . . . . 29 R CB . 52793 4
376 . 2 . 1 29 29 ARG CG C 13 27.139 0.170 . 1 . . . . . 29 R CG . 52793 4
377 . 2 . 1 30 30 LEU C C 13 177.814 0.091 . 1 . . . . . 30 L C . 52793 4
378 . 2 . 1 30 30 LEU CA C 13 60.120 0.036 . 1 . . . . . 30 L CA . 52793 4
379 . 2 . 1 30 30 LEU CG C 13 26.691 0.011 . 1 . . . . . 30 L CG . 52793 4
380 . 2 . 1 30 30 LEU CD2 C 13 22.881 0.083 . 2 . . . . . 30 L CD2 . 52793 4
381 . 2 . 1 31 31 TRP CA C 13 61.953 0.042 . 1 . . . . . 31 W CA . 52793 4
382 . 2 . 1 31 31 TRP CB C 13 26.741 0.135 . 1 . . . . . 31 W CB . 52793 4
383 . 2 . 1 31 31 TRP N N 15 118.941 0.010 . 1 . . . . . 31 W N . 52793 4
384 . 2 . 1 32 32 PRO CA C 13 65.958 0.125 . 1 . . . . . 32 P CA . 52793 4
385 . 2 . 1 33 33 SER C C 13 174.787 0.055 . 1 . . . . . 33 S C . 52793 4
386 . 2 . 1 33 33 SER CB C 13 62.612 0.049 . 1 . . . . . 33 S CB . 52793 4
387 . 2 . 1 34 34 VAL C C 13 178.467 0.000 . 1 . . . . . 34 V C . 52793 4
388 . 2 . 1 34 34 VAL N N 15 122.176 0.143 . 1 . . . . . 34 V N . 52793 4
389 . 2 . 1 35 35 GLY C C 13 174.742 0.000 . 1 . . . . . 35 G C . 52793 4
390 . 2 . 1 36 36 THR C C 13 176.032 0.049 . 1 . . . . . 36 T C . 52793 4
391 . 2 . 1 36 36 THR CA C 13 68.804 0.000 . 1 . . . . . 36 T CA . 52793 4
392 . 2 . 1 36 36 THR N N 15 121.148 0.000 . 1 . . . . . 36 T N . 52793 4
393 . 2 . 1 37 37 ILE C C 13 178.487 0.067 . 1 . . . . . 37 I C . 52793 4
394 . 2 . 1 37 37 ILE CA C 13 64.513 0.000 . 1 . . . . . 37 I CA . 52793 4
395 . 2 . 1 37 37 ILE CB C 13 37.011 0.000 . 1 . . . . . 37 I CB . 52793 4
396 . 2 . 1 37 37 ILE CG2 C 13 17.594 0.140 . 1 . . . . . 37 I CG2 . 52793 4
397 . 2 . 1 38 38 ILE C C 13 177.639 0.016 . 1 . . . . . 38 I C . 52793 4
398 . 2 . 1 38 38 ILE CA C 13 65.655 0.128 . 1 . . . . . 38 I CA . 52793 4
399 . 2 . 1 38 38 ILE CG1 C 13 30.657 0.140 . 1 . . . . . 38 I CG1 . 52793 4
400 . 2 . 1 38 38 ILE CG2 C 13 16.610 0.091 . 1 . . . . . 38 I CG2 . 52793 4
401 . 2 . 1 38 38 ILE CD1 C 13 14.972 0.026 . 1 . . . . . 38 I CD1 . 52793 4
402 . 2 . 1 38 38 ILE N N 15 119.314 0.098 . 1 . . . . . 38 I N . 52793 4
403 . 2 . 1 39 39 CYS C C 13 177.383 0.059 . 1 . . . . . 39 C C . 52793 4
404 . 2 . 1 40 40 TYR C C 13 178.622 0.094 . 1 . . . . . 40 Y C . 52793 4
405 . 2 . 1 40 40 TYR N N 15 119.090 0.039 . 1 . . . . . 40 Y N . 52793 4
406 . 2 . 1 41 41 CYS C C 13 176.544 0.053 . 1 . . . . . 41 C C . 52793 4
407 . 2 . 1 41 41 CYS CA C 13 63.106 0.000 . 1 . . . . . 41 C CA . 52793 4
408 . 2 . 1 41 41 CYS CB C 13 26.311 0.000 . 1 . . . . . 41 C CB . 52793 4
409 . 2 . 1 41 41 CYS N N 15 117.568 0.000 . 1 . . . . . 41 C N . 52793 4
410 . 2 . 1 42 42 ALA C C 13 178.293 0.000 . 1 . . . . . 42 A C . 52793 4
411 . 2 . 1 42 42 ALA CB C 13 17.819 0.128 . 1 . . . . . 42 A CB . 52793 4
412 . 2 . 1 42 42 ALA N N 15 119.940 0.000 . 1 . . . . . 42 A N . 52793 4
413 . 2 . 1 43 43 SER C C 13 177.093 0.077 . 1 . . . . . 43 S C . 52793 4
414 . 2 . 1 43 43 SER CA C 13 63.687 0.000 . 1 . . . . . 43 S CA . 52793 4
415 . 2 . 1 43 43 SER CB C 13 64.707 0.000 . 1 . . . . . 43 S CB . 52793 4
416 . 2 . 1 44 44 PHE CA C 13 59.445 0.000 . 1 . . . . . 44 F CA . 52793 4
417 . 2 . 1 45 45 TRP CB C 13 28.708 0.000 . 1 . . . . . 45 W CB . 52793 4
418 . 2 . 1 47 47 LEU CA C 13 57.518 0.027 . 1 . . . . . 47 L CA . 52793 4
419 . 2 . 1 47 47 LEU CD2 C 13 22.886 0.005 . 2 . . . . . 47 L CD2 . 52793 4
420 . 2 . 1 48 48 ALA CA C 13 55.367 0.000 . 1 . . . . . 48 A CA . 52793 4
421 . 2 . 1 49 49 GLN C C 13 177.448 0.137 . 1 . . . . . 49 Q C . 52793 4
422 . 2 . 1 49 49 GLN CB C 13 26.531 0.035 . 1 . . . . . 49 Q CB . 52793 4
423 . 2 . 1 49 49 GLN CD C 13 180.007 0.051 . 1 . . . . . 49 Q CD . 52793 4
424 . 2 . 1 50 50 THR C C 13 177.401 0.038 . 1 . . . . . 50 T C . 52793 4
425 . 2 . 1 50 50 THR CA C 13 63.888 0.068 . 1 . . . . . 50 T CA . 52793 4
426 . 2 . 1 50 50 THR CB C 13 69.605 0.064 . 1 . . . . . 50 T CB . 52793 4
427 . 2 . 1 50 50 THR CG2 C 13 23.073 0.043 . 1 . . . . . 50 T CG2 . 52793 4
428 . 2 . 1 51 51 LEU C C 13 176.901 0.000 . 1 . . . . . 51 L C . 52793 4
429 . 2 . 1 51 51 LEU CA C 13 55.838 0.127 . 1 . . . . . 51 L CA . 52793 4
430 . 2 . 1 51 51 LEU N N 15 118.336 0.048 . 1 . . . . . 51 L N . 52793 4
431 . 2 . 1 52 52 ALA CB C 13 18.281 0.116 . 1 . . . . . 52 A CB . 52793 4
432 . 2 . 1 53 53 TYR C C 13 175.343 0.012 . 1 . . . . . 53 Y C . 52793 4
433 . 2 . 1 53 53 TYR CA C 13 57.437 0.000 . 1 . . . . . 53 Y CA . 52793 4
434 . 2 . 1 54 54 ILE C C 13 173.257 0.023 . 1 . . . . . 54 I C . 52793 4
435 . 2 . 1 54 54 ILE CA C 13 57.739 0.069 . 1 . . . . . 54 I CA . 52793 4
436 . 2 . 1 54 54 ILE CG1 C 13 26.499 0.000 . 1 . . . . . 54 I CG1 . 52793 4
437 . 2 . 1 54 54 ILE CG2 C 13 16.372 0.152 . 1 . . . . . 54 I CG2 . 52793 4
438 . 2 . 1 54 54 ILE CD1 C 13 13.167 0.000 . 1 . . . . . 54 I CD1 . 52793 4
439 . 2 . 1 55 55 PRO C C 13 176.905 0.000 . 1 . . . . . 55 P C . 52793 4
440 . 2 . 1 55 55 PRO CA C 13 63.172 0.162 . 1 . . . . . 55 P CA . 52793 4
441 . 2 . 1 55 55 PRO CB C 13 32.932 0.097 . 1 . . . . . 55 P CB . 52793 4
442 . 2 . 1 55 55 PRO CG C 13 28.927 0.154 . 1 . . . . . 55 P CG . 52793 4
443 . 2 . 1 56 56 THR C C 13 175.938 0.128 . 1 . . . . . 56 T C . 52793 4
444 . 2 . 1 56 56 THR CB C 13 68.620 0.040 . 1 . . . . . 56 T CB . 52793 4
445 . 2 . 1 57 57 GLY C C 13 175.220 0.055 . 1 . . . . . 57 G C . 52793 4
446 . 2 . 1 58 58 ILE CG2 C 13 17.794 0.002 . 1 . . . . . 58 I CG2 . 52793 4
447 . 2 . 1 58 58 ILE N N 15 117.774 0.015 . 1 . . . . . 58 I N . 52793 4
448 . 2 . 1 59 59 ALA C C 13 178.873 0.000 . 1 . . . . . 59 A C . 52793 4
449 . 2 . 1 59 59 ALA CB C 13 17.219 0.000 . 1 . . . . . 59 A CB . 52793 4
450 . 2 . 1 60 60 TYR N N 15 115.130 0.000 . 1 . . . . . 60 Y N . 52793 4
451 . 2 . 1 61 61 ALA C C 13 179.742 0.000 . 1 . . . . . 61 A C . 52793 4
452 . 2 . 1 61 61 ALA CA C 13 55.763 0.000 . 1 . . . . . 61 A CA . 52793 4
453 . 2 . 1 61 61 ALA CB C 13 17.822 0.068 . 1 . . . . . 61 A CB . 52793 4
454 . 2 . 1 62 62 ILE C C 13 176.598 0.000 . 1 . . . . . 62 I C . 52793 4
455 . 2 . 1 62 62 ILE CA C 13 66.150 0.000 . 1 . . . . . 62 I CA . 52793 4
456 . 2 . 1 62 62 ILE CG1 C 13 30.399 0.013 . 1 . . . . . 62 I CG1 . 52793 4
457 . 2 . 1 62 62 ILE CG2 C 13 17.856 0.012 . 1 . . . . . 62 I CG2 . 52793 4
458 . 2 . 1 62 62 ILE N N 15 116.682 0.000 . 1 . . . . . 62 I N . 52793 4
459 . 2 . 1 65 65 GLY C C 13 175.253 0.000 . 1 . . . . . 65 G C . 52793 4
460 . 2 . 1 66 66 VAL C C 13 177.884 0.051 . 1 . . . . . 66 V C . 52793 4
461 . 2 . 1 66 66 VAL CA C 13 66.197 0.000 . 1 . . . . . 66 V CA . 52793 4
462 . 2 . 1 66 66 VAL N N 15 120.212 0.000 . 1 . . . . . 66 V N . 52793 4
463 . 2 . 1 67 67 GLY N N 15 105.432 0.000 . 1 . . . . . 67 G N . 52793 4
464 . 2 . 1 68 68 ILE CA C 13 64.543 0.000 . 1 . . . . . 68 I CA . 52793 4
465 . 2 . 1 69 69 VAL CG1 C 13 22.010 0.000 . 2 . . . . . 69 V CG1 . 52793 4
466 . 2 . 1 70 70 LEU CA C 13 58.325 0.063 . 1 . . . . . 70 L CA . 52793 4
467 . 2 . 1 70 70 LEU CD1 C 13 24.366 0.125 . 2 . . . . . 70 L CD1 . 52793 4
468 . 2 . 1 71 71 ILE C C 13 178.960 0.042 . 1 . . . . . 71 I C . 52793 4
469 . 2 . 1 71 71 ILE CA C 13 66.137 0.067 . 1 . . . . . 71 I CA . 52793 4
470 . 2 . 1 71 71 ILE CG1 C 13 31.590 0.103 . 1 . . . . . 71 I CG1 . 52793 4
471 . 2 . 1 71 71 ILE CG2 C 13 18.031 0.000 . 1 . . . . . 71 I CG2 . 52793 4
472 . 2 . 1 71 71 ILE CD1 C 13 14.250 0.002 . 1 . . . . . 71 I CD1 . 52793 4
473 . 2 . 1 72 72 SER C C 13 176.560 0.000 . 1 . . . . . 72 S C . 52793 4
474 . 2 . 1 73 73 LEU CA C 13 57.781 0.000 . 1 . . . . . 73 L CA . 52793 4
475 . 2 . 1 73 73 LEU CG C 13 26.370 0.000 . 1 . . . . . 73 L CG . 52793 4
476 . 2 . 1 73 73 LEU N N 15 121.387 0.000 . 1 . . . . . 73 L N . 52793 4
477 . 2 . 1 74 74 LEU CA C 13 57.662 0.000 . 1 . . . . . 74 L CA . 52793 4
478 . 2 . 1 74 74 LEU CB C 13 41.638 0.146 . 1 . . . . . 74 L CB . 52793 4
479 . 2 . 1 74 74 LEU CG C 13 26.403 0.000 . 1 . . . . . 74 L CG . 52793 4
480 . 2 . 1 74 74 LEU CD2 C 13 24.398 0.000 . 2 . . . . . 74 L CD2 . 52793 4
481 . 2 . 1 76 76 TRP C C 13 178.919 0.020 . 1 . . . . . 76 W C . 52793 4
482 . 2 . 1 76 76 TRP CB C 13 28.676 0.081 . 1 . . . . . 76 W CB . 52793 4
483 . 2 . 1 77 77 GLY C C 13 173.324 0.051 . 1 . . . . . 77 G C . 52793 4
484 . 2 . 1 79 79 PHE C C 13 177.021 0.025 . 1 . . . . . 79 F C . 52793 4
485 . 2 . 1 79 79 PHE CB C 13 39.524 0.000 . 1 . . . . . 79 F CB . 52793 4
486 . 2 . 1 80 80 GLY C C 13 174.699 0.118 . 1 . . . . . 80 G C . 52793 4
487 . 2 . 1 81 81 GLN C C 13 174.999 0.019 . 1 . . . . . 81 Q C . 52793 4
488 . 2 . 1 81 81 GLN CA C 13 56.073 0.144 . 1 . . . . . 81 Q CA . 52793 4
489 . 2 . 1 81 81 GLN CB C 13 28.779 0.000 . 1 . . . . . 81 Q CB . 52793 4
490 . 2 . 1 81 81 GLN CG C 13 33.555 0.072 . 1 . . . . . 81 Q CG . 52793 4
491 . 2 . 1 81 81 GLN CD C 13 179.814 0.057 . 1 . . . . . 81 Q CD . 52793 4
492 . 2 . 1 82 82 ARG C C 13 176.379 0.099 . 1 . . . . . 82 R C . 52793 4
493 . 2 . 1 82 82 ARG CA C 13 55.626 0.117 . 1 . . . . . 82 R CA . 52793 4
494 . 2 . 1 82 82 ARG CB C 13 30.526 0.000 . 1 . . . . . 82 R CB . 52793 4
495 . 2 . 1 83 83 LEU C C 13 176.960 0.017 . 1 . . . . . 83 L C . 52793 4
496 . 2 . 1 83 83 LEU CA C 13 55.966 0.042 . 1 . . . . . 83 L CA . 52793 4
497 . 2 . 1 83 83 LEU CB C 13 42.153 0.000 . 1 . . . . . 83 L CB . 52793 4
498 . 2 . 1 83 83 LEU CD1 C 13 25.324 0.068 . 2 . . . . . 83 L CD1 . 52793 4
499 . 2 . 1 84 84 ASP C C 13 174.912 0.155 . 1 . . . . . 84 D C . 52793 4
500 . 2 . 1 84 84 ASP CA C 13 50.888 0.084 . 1 . . . . . 84 D CA . 52793 4
501 . 2 . 1 84 84 ASP CB C 13 42.454 0.048 . 1 . . . . . 84 D CB . 52793 4
502 . 2 . 1 84 84 ASP CG C 13 180.511 0.055 . 1 . . . . . 84 D CG . 52793 4
503 . 2 . 1 85 85 LEU C C 13 175.805 0.060 . 1 . . . . . 85 L C . 52793 4
504 . 2 . 1 85 85 LEU CG C 13 26.760 0.132 . 1 . . . . . 85 L CG . 52793 4
505 . 2 . 1 85 85 LEU CD1 C 13 25.352 0.073 . 2 . . . . . 85 L CD1 . 52793 4
506 . 2 . 1 85 85 LEU N N 15 118.844 0.018 . 1 . . . . . 85 L N . 52793 4
507 . 2 . 1 86 86 PRO C C 13 177.906 0.091 . 1 . . . . . 86 P C . 52793 4
508 . 2 . 1 86 86 PRO CA C 13 66.412 0.150 . 1 . . . . . 86 P CA . 52793 4
509 . 2 . 1 86 86 PRO CB C 13 31.135 0.000 . 1 . . . . . 86 P CB . 52793 4
510 . 2 . 1 86 86 PRO CG C 13 28.536 0.116 . 1 . . . . . 86 P CG . 52793 4
511 . 2 . 1 88 88 ILE C C 13 179.042 0.000 . 1 . . . . . 88 I C . 52793 4
512 . 2 . 1 88 88 ILE CA C 13 65.562 0.106 . 1 . . . . . 88 I CA . 52793 4
513 . 2 . 1 88 88 ILE CG2 C 13 18.008 0.107 . 1 . . . . . 88 I CG2 . 52793 4
514 . 2 . 1 88 88 ILE CD1 C 13 12.829 0.000 . 1 . . . . . 88 I CD1 . 52793 4
515 . 2 . 1 89 89 ILE CA C 13 65.575 0.008 . 1 . . . . . 89 I CA . 52793 4
516 . 2 . 1 89 89 ILE CB C 13 36.114 0.057 . 1 . . . . . 89 I CB . 52793 4
517 . 2 . 1 89 89 ILE CG1 C 13 30.070 0.025 . 1 . . . . . 89 I CG1 . 52793 4
518 . 2 . 1 89 89 ILE CG2 C 13 16.673 0.053 . 1 . . . . . 89 I CG2 . 52793 4
519 . 2 . 1 89 89 ILE CD1 C 13 14.891 0.000 . 1 . . . . . 89 I CD1 . 52793 4
520 . 2 . 1 90 90 GLY C C 13 175.670 0.170 . 1 . . . . . 90 G C . 52793 4
521 . 2 . 1 91 91 MET C C 13 178.629 0.000 . 1 . . . . . 91 M C . 52793 4
522 . 2 . 1 91 91 MET CA C 13 59.999 0.000 . 1 . . . . . 91 M CA . 52793 4
523 . 2 . 1 91 91 MET CB C 13 32.949 0.032 . 1 . . . . . 91 M CB . 52793 4
524 . 2 . 1 91 91 MET CE C 13 17.106 0.085 . 1 . . . . . 91 M CE . 52793 4
525 . 2 . 1 91 91 MET N N 15 119.716 0.000 . 1 . . . . . 91 M N . 52793 4
526 . 2 . 1 92 92 MET C C 13 178.020 0.146 . 1 . . . . . 92 M C . 52793 4
527 . 2 . 1 92 92 MET CA C 13 60.243 0.035 . 1 . . . . . 92 M CA . 52793 4
528 . 2 . 1 92 92 MET CB C 13 32.805 0.014 . 1 . . . . . 92 M CB . 52793 4
529 . 2 . 1 92 92 MET CG C 13 33.778 0.153 . 1 . . . . . 92 M CG . 52793 4
530 . 2 . 1 92 92 MET CE C 13 17.105 0.109 . 1 . . . . . 92 M CE . 52793 4
531 . 2 . 1 93 93 LEU CA C 13 58.370 0.084 . 1 . . . . . 93 L CA . 52793 4
532 . 2 . 1 93 93 LEU CD2 C 13 24.343 0.085 . 2 . . . . . 93 L CD2 . 52793 4
533 . 2 . 1 94 94 ILE C C 13 178.240 0.090 . 1 . . . . . 94 I C . 52793 4
534 . 2 . 1 94 94 ILE CA C 13 65.616 0.020 . 1 . . . . . 94 I CA . 52793 4
535 . 2 . 1 94 94 ILE CG1 C 13 29.303 0.068 . 1 . . . . . 94 I CG1 . 52793 4
536 . 2 . 1 94 94 ILE CG2 C 13 17.311 0.036 . 1 . . . . . 94 I CG2 . 52793 4
537 . 2 . 1 95 95 CYS C C 13 176.454 0.095 . 1 . . . . . 95 C C . 52793 4
538 . 2 . 1 95 95 CYS CB C 13 26.745 0.193 . 1 . . . . . 95 C CB . 52793 4
539 . 2 . 1 95 95 CYS N N 15 116.618 0.000 . 1 . . . . . 95 C N . 52793 4
540 . 2 . 1 96 96 ALA C C 13 178.690 0.029 . 1 . . . . . 96 A C . 52793 4
541 . 2 . 1 96 96 ALA CA C 13 55.422 0.007 . 1 . . . . . 96 A CA . 52793 4
542 . 2 . 1 96 96 ALA CB C 13 18.372 0.062 . 1 . . . . . 96 A CB . 52793 4
543 . 2 . 1 96 96 ALA N N 15 120.428 0.064 . 1 . . . . . 96 A N . 52793 4
544 . 2 . 1 97 97 GLY C C 13 175.040 0.038 . 1 . . . . . 97 G C . 52793 4
545 . 2 . 1 98 98 VAL C C 13 177.583 0.000 . 1 . . . . . 98 V C . 52793 4
546 . 2 . 1 98 98 VAL CG2 C 13 23.327 0.034 . 2 . . . . . 98 V CG2 . 52793 4
547 . 2 . 1 99 99 LEU C C 13 178.133 0.000 . 1 . . . . . 99 L C . 52793 4
548 . 2 . 1 99 99 LEU CA C 13 58.210 0.020 . 1 . . . . . 99 L CA . 52793 4
549 . 2 . 1 99 99 LEU N N 15 119.802 0.000 . 1 . . . . . 99 L N . 52793 4
550 . 2 . 1 100 100 ILE C C 13 177.939 0.004 . 1 . . . . . 100 I C . 52793 4
551 . 2 . 1 100 100 ILE CA C 13 66.201 0.078 . 1 . . . . . 100 I CA . 52793 4
552 . 2 . 1 100 100 ILE CG1 C 13 29.690 0.000 . 1 . . . . . 100 I CG1 . 52793 4
553 . 2 . 1 100 100 ILE CG2 C 13 17.306 0.001 . 1 . . . . . 100 I CG2 . 52793 4
554 . 2 . 1 100 100 ILE N N 15 119.009 0.000 . 1 . . . . . 100 I N . 52793 4
555 . 2 . 1 101 101 ILE C C 13 177.622 0.000 . 1 . . . . . 101 I C . 52793 4
556 . 2 . 1 101 101 ILE N N 15 118.493 0.036 . 1 . . . . . 101 I N . 52793 4
557 . 2 . 1 102 102 ASN C C 13 176.470 0.028 . 1 . . . . . 102 N C . 52793 4
558 . 2 . 1 102 102 ASN CA C 13 56.602 0.000 . 1 . . . . . 102 N CA . 52793 4
559 . 2 . 1 102 102 ASN CB C 13 39.986 0.000 . 1 . . . . . 102 N CB . 52793 4
560 . 2 . 1 103 103 LEU CA C 13 55.668 0.000 . 1 . . . . . 103 L CA . 52793 4
561 . 2 . 1 105 105 SER CA C 13 57.466 0.000 . 1 . . . . . 105 S CA . 52793 4
562 . 2 . 1 106 106 ARG C C 13 177.573 0.023 . 1 . . . . . 106 R C . 52793 4
563 . 2 . 1 107 107 SER CA C 13 58.367 0.005 . 1 . . . . . 107 S CA . 52793 4
564 . 2 . 1 107 107 SER CB C 13 64.372 0.000 . 1 . . . . . 107 S CB . 52793 4
565 . 2 . 1 107 107 SER N N 15 117.415 0.000 . 1 . . . . . 107 S N . 52793 4
566 . 2 . 1 108 108 THR CA C 13 58.215 0.000 . 1 . . . . . 108 T CA . 52793 4
567 . 2 . 1 108 108 THR CB C 13 68.827 0.120 . 1 . . . . . 108 T CB . 52793 4
568 . 2 . 1 108 108 THR CG2 C 13 22.216 0.035 . 1 . . . . . 108 T CG2 . 52793 4
569 . 2 . 1 109 109 PRO C C 13 175.934 0.000 . 1 . . . . . 109 P C . 52793 4
570 . 2 . 1 109 109 PRO CB C 13 31.794 0.027 . 1 . . . . . 109 P CB . 52793 4
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