data_52790
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52790
_Entry.Title
;
Low pH backbone and methyl group (Ile CD1, Leu CD1/CD2, Val CG1/CG2, Thr CG2) assignments of S64V-EmrE, drug free
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2025-01-02
_Entry.Accession_date 2025-01-02
_Entry.Last_release_date 2025-01-02
_Entry.Original_release_date 2025-01-02
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details
;
Backbone and methyl group (Ile CD1, Leu CD1/CD2, Val CG1/CG2, Thr CG2) chemical shift assignments of S64V-EmrE in isotropic bicelles, 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 Ashley Hiett . B. . 0000-0001-9891-7471 52790
2 Marco Tonelli . . . 0000-0002-7700-5745 52790
3 Katherine Henzler-Wildman . A. . 0000-0002-5295-2121 52790
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52790
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 747 52790
'15N chemical shifts' 216 52790
'1H chemical shifts' 666 52790
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 . . 2025-04-01 2025-01-02 update author 'update assignments' 52790
1 . . 2025-03-06 2025-01-02 original author 'original release' 52790
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 52793 'Low pH backbone and sidechain assignments of S64V EmrE in lipid bilayers' 52790
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52790
_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. . . 52790 1
2 Ashley Hiett . B. . . 52790 1
3 Marco Tonelli . . . . 52790 1
4 Songlin Wang . . . . 52790 1
5 Chad Rienstra . M. . . 52790 1
6 Katherine Henzler-Wildman . A. . . 52790 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52790
_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 . . . 52790 1
2 'S64V-EmrE, Chain B' 1 $entity_1 . . yes native yes no . . . 52790 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52790
_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 . 52790 1
2 . ASN . 52790 1
3 . PRO . 52790 1
4 . TYR . 52790 1
5 . ILE . 52790 1
6 . TYR . 52790 1
7 . LEU . 52790 1
8 . GLY . 52790 1
9 . GLY . 52790 1
10 . ALA . 52790 1
11 . ILE . 52790 1
12 . LEU . 52790 1
13 . ALA . 52790 1
14 . GLU . 52790 1
15 . VAL . 52790 1
16 . ILE . 52790 1
17 . GLY . 52790 1
18 . THR . 52790 1
19 . THR . 52790 1
20 . LEU . 52790 1
21 . MET . 52790 1
22 . LYS . 52790 1
23 . PHE . 52790 1
24 . SER . 52790 1
25 . GLU . 52790 1
26 . GLY . 52790 1
27 . PHE . 52790 1
28 . THR . 52790 1
29 . ARG . 52790 1
30 . LEU . 52790 1
31 . TRP . 52790 1
32 . PRO . 52790 1
33 . SER . 52790 1
34 . VAL . 52790 1
35 . GLY . 52790 1
36 . THR . 52790 1
37 . ILE . 52790 1
38 . ILE . 52790 1
39 . CYS . 52790 1
40 . TYR . 52790 1
41 . CYS . 52790 1
42 . ALA . 52790 1
43 . SER . 52790 1
44 . PHE . 52790 1
45 . TRP . 52790 1
46 . LEU . 52790 1
47 . LEU . 52790 1
48 . ALA . 52790 1
49 . GLN . 52790 1
50 . THR . 52790 1
51 . LEU . 52790 1
52 . ALA . 52790 1
53 . TYR . 52790 1
54 . ILE . 52790 1
55 . PRO . 52790 1
56 . THR . 52790 1
57 . GLY . 52790 1
58 . ILE . 52790 1
59 . ALA . 52790 1
60 . TYR . 52790 1
61 . ALA . 52790 1
62 . ILE . 52790 1
63 . TRP . 52790 1
64 . VAL . 52790 1
65 . GLY . 52790 1
66 . VAL . 52790 1
67 . GLY . 52790 1
68 . ILE . 52790 1
69 . VAL . 52790 1
70 . LEU . 52790 1
71 . ILE . 52790 1
72 . SER . 52790 1
73 . LEU . 52790 1
74 . LEU . 52790 1
75 . SER . 52790 1
76 . TRP . 52790 1
77 . GLY . 52790 1
78 . PHE . 52790 1
79 . PHE . 52790 1
80 . GLY . 52790 1
81 . GLN . 52790 1
82 . ARG . 52790 1
83 . LEU . 52790 1
84 . ASP . 52790 1
85 . LEU . 52790 1
86 . PRO . 52790 1
87 . ALA . 52790 1
88 . ILE . 52790 1
89 . ILE . 52790 1
90 . GLY . 52790 1
91 . MET . 52790 1
92 . MET . 52790 1
93 . LEU . 52790 1
94 . ILE . 52790 1
95 . CYS . 52790 1
96 . ALA . 52790 1
97 . GLY . 52790 1
98 . VAL . 52790 1
99 . LEU . 52790 1
100 . ILE . 52790 1
101 . ILE . 52790 1
102 . ASN . 52790 1
103 . LEU . 52790 1
104 . LEU . 52790 1
105 . SER . 52790 1
106 . ARG . 52790 1
107 . SER . 52790 1
108 . THR . 52790 1
109 . PRO . 52790 1
110 . HIS . 52790 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 52790 1
. ASN 2 2 52790 1
. PRO 3 3 52790 1
. TYR 4 4 52790 1
. ILE 5 5 52790 1
. TYR 6 6 52790 1
. LEU 7 7 52790 1
. GLY 8 8 52790 1
. GLY 9 9 52790 1
. ALA 10 10 52790 1
. ILE 11 11 52790 1
. LEU 12 12 52790 1
. ALA 13 13 52790 1
. GLU 14 14 52790 1
. VAL 15 15 52790 1
. ILE 16 16 52790 1
. GLY 17 17 52790 1
. THR 18 18 52790 1
. THR 19 19 52790 1
. LEU 20 20 52790 1
. MET 21 21 52790 1
. LYS 22 22 52790 1
. PHE 23 23 52790 1
. SER 24 24 52790 1
. GLU 25 25 52790 1
. GLY 26 26 52790 1
. PHE 27 27 52790 1
. THR 28 28 52790 1
. ARG 29 29 52790 1
. LEU 30 30 52790 1
. TRP 31 31 52790 1
. PRO 32 32 52790 1
. SER 33 33 52790 1
. VAL 34 34 52790 1
. GLY 35 35 52790 1
. THR 36 36 52790 1
. ILE 37 37 52790 1
. ILE 38 38 52790 1
. CYS 39 39 52790 1
. TYR 40 40 52790 1
. CYS 41 41 52790 1
. ALA 42 42 52790 1
. SER 43 43 52790 1
. PHE 44 44 52790 1
. TRP 45 45 52790 1
. LEU 46 46 52790 1
. LEU 47 47 52790 1
. ALA 48 48 52790 1
. GLN 49 49 52790 1
. THR 50 50 52790 1
. LEU 51 51 52790 1
. ALA 52 52 52790 1
. TYR 53 53 52790 1
. ILE 54 54 52790 1
. PRO 55 55 52790 1
. THR 56 56 52790 1
. GLY 57 57 52790 1
. ILE 58 58 52790 1
. ALA 59 59 52790 1
. TYR 60 60 52790 1
. ALA 61 61 52790 1
. ILE 62 62 52790 1
. TRP 63 63 52790 1
. VAL 64 64 52790 1
. GLY 65 65 52790 1
. VAL 66 66 52790 1
. GLY 67 67 52790 1
. ILE 68 68 52790 1
. VAL 69 69 52790 1
. LEU 70 70 52790 1
. ILE 71 71 52790 1
. SER 72 72 52790 1
. LEU 73 73 52790 1
. LEU 74 74 52790 1
. SER 75 75 52790 1
. TRP 76 76 52790 1
. GLY 77 77 52790 1
. PHE 78 78 52790 1
. PHE 79 79 52790 1
. GLY 80 80 52790 1
. GLN 81 81 52790 1
. ARG 82 82 52790 1
. LEU 83 83 52790 1
. ASP 84 84 52790 1
. LEU 85 85 52790 1
. PRO 86 86 52790 1
. ALA 87 87 52790 1
. ILE 88 88 52790 1
. ILE 89 89 52790 1
. GLY 90 90 52790 1
. MET 91 91 52790 1
. MET 92 92 52790 1
. LEU 93 93 52790 1
. ILE 94 94 52790 1
. CYS 95 95 52790 1
. ALA 96 96 52790 1
. GLY 97 97 52790 1
. VAL 98 98 52790 1
. LEU 99 99 52790 1
. ILE 100 100 52790 1
. ILE 101 101 52790 1
. ASN 102 102 52790 1
. LEU 103 103 52790 1
. LEU 104 104 52790 1
. SER 105 105 52790 1
. ARG 106 106 52790 1
. SER 107 107 52790 1
. THR 108 108 52790 1
. PRO 109 109 52790 1
. HIS 110 110 52790 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 52790
_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 . . . . . . . . . . . . . 52790 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 52790
_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 . . . 52790 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52790
_Sample.ID 1
_Sample.Name '2H/15N ILVTA-13CH3-methyl S64V-EmrE'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'pH 5.8 @ 45C, in 3:1 DHPC:DMPC isotropic bicelles'
_Sample.Aggregate_sample_number 2
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 S64V-EmrE '[U-15N; U-2H; methyl-ILVTA-13C]' . . 1 $entity_1 . . 0.6 . . mM . . . . 52790 1
2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 52790 1
3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 52790 1
4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 52790 1
5 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52790 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 52790
_Sample.ID 2
_Sample.Name '13C-Leu/Val S64V-EmrE'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'pH 5.8 @ 45C, in 3:1 DMPC:DHPC isotropic bicelles'
_Sample.Aggregate_sample_number 3
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 S64V-EmrE '[U-15N; U-13C]-Leu; [U-15N; U-13C]-Val' . . 1 $entity_1 . . 0.8 . . mM . . . . 52790 2
2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 52790 2
3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 52790 2
4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 52790 2
5 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52790 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 52790
_Sample.ID 3
_Sample.Name 'U-CND S64V-EmrE'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'pH 5.8 @ 45C, in 3:1 DMPC:DHPC isotropic bicelles'
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 S64V-EmrE '[U-15N; U-13C; U-2H]' . . 1 $entity_1 . . 1 . . mM . . . . 52790 3
2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 52790 3
3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 52790 3
4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 52790 3
5 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52790 3
stop_
save_
save_sample_4
_Sample.Sf_category sample
_Sample.Sf_framecode sample_4
_Sample.Entry_ID 52790
_Sample.ID 4
_Sample.Name '2H/15N ILVT-13CH3-methyl S64V-EmrE'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'pH 5.8 @ 45C, in 3:1 DMPC:DHPC isotropic bicelles'
_Sample.Aggregate_sample_number 4
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 S64V-EmrE '[U-15N; U-2H; methyl-ILVT-13C]' . . 1 $entity_1 . . 1.1 . . mM . . . . 52790 4
2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 52790 4
3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 52790 4
4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 52790 4
5 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52790 4
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 52790
_Sample_condition_list.ID 1
_Sample_condition_list.Name emre_solution_45C_lowpH
_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 52790 1
temperature 318.15 . K 52790 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52790
_Software.ID 1
_Software.Type .
_Software.Name CcpNMR
_Software.Version 3.2.5
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'data analysis' . 52790 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52790
_Software.ID 2
_Software.Type .
_Software.Name NMRPipe
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 52790 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 52790
_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 . 52790 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 52790
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name Fleckvieh
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 52790
_NMR_spectrometer.ID 2
_NMR_spectrometer.Name Gelbvieh
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model 'VNMRS DD'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_3
_NMR_spectrometer.Entry_ID 52790
_NMR_spectrometer.ID 3
_NMR_spectrometer.Name Telemark
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750
save_
save_NMR_spectrometer_4
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_4
_NMR_spectrometer.Entry_ID 52790
_NMR_spectrometer.ID 4
_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_5
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_5
_NMR_spectrometer.Entry_ID 52790
_NMR_spectrometer.ID 5
_NMR_spectrometer.Name Kurgan
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list_1
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list_1
_Experiment_list.Entry_ID 52790
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NUS_flag
_Experiment.Interleaved_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Details
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52790 1
2 '3D HNCA' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52790 1
3 '3D HNCO' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52790 1
4 '3D HN(CA)CB' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52790 1
5 '4D CC NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52790 1
6 '3D CC NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52790 1
7 '3D CCH-TOCSY' no yes no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 52790 1
8 '3D CC NOESY' no yes no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 52790 1
9 '3D 15N-13C NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 52790 1
10 '3D 13C-15N NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52790 1
11 '3D 13C-15N NOESY' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52790 1
12 '3D CC NOESY' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52790 1
stop_
save_
save_computing_platform_1
_Computing_platform.Sf_category computing_platform
_Computing_platform.Sf_framecode computing_platform_1
_Computing_platform.Entry_ID 52790
_Computing_platform.ID 1
_Computing_platform.Name NMRbox
_Computing_platform.Reference_ID .
_Computing_platform.Site UConn
_Computing_platform.Site_reference_ID .
_Computing_platform.Details 'processing via NMRPipe'
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 52790
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name 'Sodium 2,2-dimethyl-2-silapentane-5-sulfonate (DSS)'
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl carbon' . . . . ppm 0 internal direct 1 . . . . . 52790 1
H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52790 1
N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 52790 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 52790
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name VITAL_culled_BMRB
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 52790 1
2 '3D HNCA' . . . 52790 1
3 '3D HNCO' . . . 52790 1
4 '3D HN(CA)CB' . . . 52790 1
5 '4D CC NOESY' . . . 52790 1
6 '3D CC NOESY' . . . 52790 1
7 '3D CCH-TOCSY' . . . 52790 1
8 '3D CC NOESY' . . . 52790 1
9 '3D 15N-13C NOESY' . . . 52790 1
10 '3D 13C-15N NOESY' . . . 52790 1
11 '3D 13C-15N NOESY' . . . 52790 1
12 '3D CC NOESY' . . . 52790 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 . . 52790 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 13 174.8894487 . . 1 . . . . . 1 MET C . 52790 1
2 . 1 . 1 1 1 MET CA C 13 54.77421305 . . 1 . . . . . 1 MET CA . 52790 1
3 . 1 . 1 1 1 MET CB C 13 32.71208522 . . 1 . . . . . 1 MET CB . 52790 1
4 . 1 . 1 2 2 ASN H H 1 8.36607739 0.01002687833 . 1 . . . . . 2 ASN H . 52790 1
5 . 1 . 1 2 2 ASN CA C 13 51.01586997 . . 1 . . . . . 2 ASN CA . 52790 1
6 . 1 . 1 2 2 ASN CB C 13 38.42282944 . . 1 . . . . . 2 ASN CB . 52790 1
7 . 1 . 1 2 2 ASN N N 15 122.5223705 0.05028234992 . 1 . . . . . 2 ASN N . 52790 1
8 . 1 . 1 3 3 PRO C C 13 177.7665742 . . 1 . . . . . 3 PRO C . 52790 1
9 . 1 . 1 3 3 PRO CA C 13 64.36985861 . . 1 . . . . . 3 PRO CA . 52790 1
10 . 1 . 1 3 3 PRO CB C 13 31.11838916 . . 1 . . . . . 3 PRO CB . 52790 1
11 . 1 . 1 4 4 TYR H H 1 8.049911138 0.02556034296 . 1 . . . . . 4 TYR H . 52790 1
12 . 1 . 1 4 4 TYR C C 13 178.3951088 . . 1 . . . . . 4 TYR C . 52790 1
13 . 1 . 1 4 4 TYR CA C 13 61.02511949 0.01299871001 . 1 . . . . . 4 TYR CA . 52790 1
14 . 1 . 1 4 4 TYR CB C 13 36.29790136 . . 1 . . . . . 4 TYR CB . 52790 1
15 . 1 . 1 4 4 TYR N N 15 116.3157335 0.05135035831 . 1 . . . . . 4 TYR N . 52790 1
16 . 1 . 1 5 5 ILE H H 1 7.764340998 0.01228591028 . 1 . . . . . 5 ILE H . 52790 1
17 . 1 . 1 5 5 ILE HD11 H 1 0.9131083291 0.006455835419 . 1 . . . . . 5 ILE HD1# . 52790 1
18 . 1 . 1 5 5 ILE HD12 H 1 0.9131083291 0.006455835419 . 1 . . . . . 5 ILE HD1# . 52790 1
19 . 1 . 1 5 5 ILE HD13 H 1 0.9131083291 0.006455835419 . 1 . . . . . 5 ILE HD1# . 52790 1
20 . 1 . 1 5 5 ILE C C 13 178.2593063 . . 1 . . . . . 5 ILE C . 52790 1
21 . 1 . 1 5 5 ILE CA C 13 64.26544703 0.002644524951 . 1 . . . . . 5 ILE CA . 52790 1
22 . 1 . 1 5 5 ILE CB C 13 36.06335758 . . 1 . . . . . 5 ILE CB . 52790 1
23 . 1 . 1 5 5 ILE CD1 C 13 11.63377787 0.01487091031 . 1 . . . . . 5 ILE CD1 . 52790 1
24 . 1 . 1 5 5 ILE N N 15 120.4983772 0.140670442 . 1 . . . . . 5 ILE N . 52790 1
25 . 1 . 1 6 6 TYR H H 1 7.122853598 0.02334804309 . 1 . . . . . 6 TYR H . 52790 1
26 . 1 . 1 6 6 TYR C C 13 178.2000499 . . 1 . . . . . 6 TYR C . 52790 1
27 . 1 . 1 6 6 TYR CA C 13 61.05601544 0.01789724499 . 1 . . . . . 6 TYR CA . 52790 1
28 . 1 . 1 6 6 TYR CB C 13 36.61807719 0.054559815 . 1 . . . . . 6 TYR CB . 52790 1
29 . 1 . 1 6 6 TYR N N 15 119.2050399 0.07906579251 . 1 . . . . . 6 TYR N . 52790 1
30 . 1 . 1 7 7 LEU H H 1 7.878515538 0.01662922551 . 1 . . . . . 7 LEU H . 52790 1
31 . 1 . 1 7 7 LEU HD11 H 1 1.145301403 0.007728268612 . 1 . . . . . 7 LEU HD1# . 52790 1
32 . 1 . 1 7 7 LEU HD12 H 1 1.145301403 0.007728268612 . 1 . . . . . 7 LEU HD1# . 52790 1
33 . 1 . 1 7 7 LEU HD13 H 1 1.145301403 0.007728268612 . 1 . . . . . 7 LEU HD1# . 52790 1
34 . 1 . 1 7 7 LEU HD21 H 1 1.046692155 0.006779530149 . 1 . . . . . 7 LEU HD2# . 52790 1
35 . 1 . 1 7 7 LEU HD22 H 1 1.046692155 0.006779530149 . 1 . . . . . 7 LEU HD2# . 52790 1
36 . 1 . 1 7 7 LEU HD23 H 1 1.046692155 0.006779530149 . 1 . . . . . 7 LEU HD2# . 52790 1
37 . 1 . 1 7 7 LEU C C 13 178.9840758 . . 1 . . . . . 7 LEU C . 52790 1
38 . 1 . 1 7 7 LEU CA C 13 57.40350564 0.01131916502 . 1 . . . . . 7 LEU CA . 52790 1
39 . 1 . 1 7 7 LEU CB C 13 40.82172793 0.008354395013 . 1 . . . . . 7 LEU CB . 52790 1
40 . 1 . 1 7 7 LEU CD1 C 13 22.09098749 0.06805118221 . 1 . . . . . 7 LEU CD1 . 52790 1
41 . 1 . 1 7 7 LEU CD2 C 13 25.4287017 0.05588695281 . 1 . . . . . 7 LEU CD2 . 52790 1
42 . 1 . 1 7 7 LEU N N 15 119.9803428 0.1351535643 . 1 . . . . . 7 LEU N . 52790 1
43 . 1 . 1 8 8 GLY H H 1 8.6897412 0.01625306497 . 1 . . . . . 8 GLY H . 52790 1
44 . 1 . 1 8 8 GLY C C 13 175.7478271 . . 1 . . . . . 8 GLY C . 52790 1
45 . 1 . 1 8 8 GLY CA C 13 47.2073337 . . 1 . . . . . 8 GLY CA . 52790 1
46 . 1 . 1 8 8 GLY N N 15 106.6004917 0.07419042944 . 1 . . . . . 8 GLY N . 52790 1
47 . 1 . 1 9 9 GLY H H 1 8.799083051 0.01147705499 . 1 . . . . . 9 GLY H . 52790 1
48 . 1 . 1 9 9 GLY C C 13 174.4475573 . . 1 . . . . . 9 GLY C . 52790 1
49 . 1 . 1 9 9 GLY CA C 13 47.40434051 0.03443858 . 1 . . . . . 9 GLY CA . 52790 1
50 . 1 . 1 9 9 GLY N N 15 109.6460077 0.05070901335 . 1 . . . . . 9 GLY N . 52790 1
51 . 1 . 1 10 10 ALA H H 1 8.922518041 0.01184126315 . 1 . . . . . 10 ALA H . 52790 1
52 . 1 . 1 10 10 ALA HB1 H 1 1.875106604 0.006676831585 . 1 . . . . . 10 ALA HB# . 52790 1
53 . 1 . 1 10 10 ALA HB2 H 1 1.875106604 0.006676831585 . 1 . . . . . 10 ALA HB# . 52790 1
54 . 1 . 1 10 10 ALA HB3 H 1 1.875106604 0.006676831585 . 1 . . . . . 10 ALA HB# . 52790 1
55 . 1 . 1 10 10 ALA C C 13 182.297777 . . 1 . . . . . 10 ALA C . 52790 1
56 . 1 . 1 10 10 ALA CA C 13 55.39435122 0.006252355005 . 1 . . . . . 10 ALA CA . 52790 1
57 . 1 . 1 10 10 ALA CB C 13 17.74685969 0.0529306524 . 1 . . . . . 10 ALA CB . 52790 1
58 . 1 . 1 10 10 ALA N N 15 124.9815406 0.04700644819 . 1 . . . . . 10 ALA N . 52790 1
59 . 1 . 1 11 11 ILE H H 1 8.633476475 0.01111663625 . 1 . . . . . 11 ILE H . 52790 1
60 . 1 . 1 11 11 ILE HD11 H 1 0.8554092294 0.005846960414 . 1 . . . . . 11 ILE HD1# . 52790 1
61 . 1 . 1 11 11 ILE HD12 H 1 0.8554092294 0.005846960414 . 1 . . . . . 11 ILE HD1# . 52790 1
62 . 1 . 1 11 11 ILE HD13 H 1 0.8554092294 0.005846960414 . 1 . . . . . 11 ILE HD1# . 52790 1
63 . 1 . 1 11 11 ILE C C 13 177.4311736 . . 1 . . . . . 11 ILE C . 52790 1
64 . 1 . 1 11 11 ILE CA C 13 64.48326603 0 . 1 . . . . . 11 ILE CA . 52790 1
65 . 1 . 1 11 11 ILE CB C 13 37.5312397 0.038066295 . 1 . . . . . 11 ILE CB . 52790 1
66 . 1 . 1 11 11 ILE CD1 C 13 13.66122598 0.04184388857 . 1 . . . . . 11 ILE CD1 . 52790 1
67 . 1 . 1 11 11 ILE N N 15 122.2459488 0.1766585458 . 1 . . . . . 11 ILE N . 52790 1
68 . 1 . 1 12 12 LEU H H 1 8.425858695 0.01731999847 . 1 . . . . . 12 LEU H . 52790 1
69 . 1 . 1 12 12 LEU HD11 H 1 0.8290733989 0.009574649869 . 1 . . . . . 12 LEU HD1# . 52790 1
70 . 1 . 1 12 12 LEU HD12 H 1 0.8290733989 0.009574649869 . 1 . . . . . 12 LEU HD1# . 52790 1
71 . 1 . 1 12 12 LEU HD13 H 1 0.8290733989 0.009574649869 . 1 . . . . . 12 LEU HD1# . 52790 1
72 . 1 . 1 12 12 LEU HD21 H 1 0.7939763881 0.006893278508 . 1 . . . . . 12 LEU HD2# . 52790 1
73 . 1 . 1 12 12 LEU HD22 H 1 0.7939763881 0.006893278508 . 1 . . . . . 12 LEU HD2# . 52790 1
74 . 1 . 1 12 12 LEU HD23 H 1 0.7939763881 0.006893278508 . 1 . . . . . 12 LEU HD2# . 52790 1
75 . 1 . 1 12 12 LEU C C 13 178.4155849 . . 1 . . . . . 12 LEU C . 52790 1
76 . 1 . 1 12 12 LEU CA C 13 58.21599713 0.003363760054 . 1 . . . . . 12 LEU CA . 52790 1
77 . 1 . 1 12 12 LEU CB C 13 40.47557888 0.1113267168 . 1 . . . . . 12 LEU CB . 52790 1
78 . 1 . 1 12 12 LEU CD1 C 13 23.46502902 0.05705391795 . 1 . . . . . 12 LEU CD1 . 52790 1
79 . 1 . 1 12 12 LEU CD2 C 13 23.26916888 0.07202168304 . 1 . . . . . 12 LEU CD2 . 52790 1
80 . 1 . 1 12 12 LEU N N 15 121.0774194 0.113180485 . 1 . . . . . 12 LEU N . 52790 1
81 . 1 . 1 13 13 ALA H H 1 8.563888884 0.01589160889 . 1 . . . . . 13 ALA H . 52790 1
82 . 1 . 1 13 13 ALA HB1 H 1 1.636720225 0.008464804304 . 1 . . . . . 13 ALA HB# . 52790 1
83 . 1 . 1 13 13 ALA HB2 H 1 1.636720225 0.008464804304 . 1 . . . . . 13 ALA HB# . 52790 1
84 . 1 . 1 13 13 ALA HB3 H 1 1.636720225 0.008464804304 . 1 . . . . . 13 ALA HB# . 52790 1
85 . 1 . 1 13 13 ALA C C 13 178.8865667 . . 1 . . . . . 13 ALA C . 52790 1
86 . 1 . 1 13 13 ALA CA C 13 55.48963045 0.01072806498 . 1 . . . . . 13 ALA CA . 52790 1
87 . 1 . 1 13 13 ALA CB C 13 16.5423077 0.04220500511 . 1 . . . . . 13 ALA CB . 52790 1
88 . 1 . 1 13 13 ALA N N 15 119.7567859 0.1202279576 . 1 . . . . . 13 ALA N . 52790 1
89 . 1 . 1 14 14 GLU H H 1 7.907836179 0.009604576603 . 1 . . . . . 14 GLU H . 52790 1
90 . 1 . 1 14 14 GLU C C 13 178.4428518 . . 1 . . . . . 14 GLU C . 52790 1
91 . 1 . 1 14 14 GLU CA C 13 58.49340673 0.039149405 . 1 . . . . . 14 GLU CA . 52790 1
92 . 1 . 1 14 14 GLU CB C 13 27.21268051 0.019318055 . 1 . . . . . 14 GLU CB . 52790 1
93 . 1 . 1 14 14 GLU N N 15 120.0126541 0.04623244823 . 1 . . . . . 14 GLU N . 52790 1
94 . 1 . 1 15 15 VAL H H 1 8.505379044 0.01065463144 . 1 . . . . . 15 VAL H . 52790 1
95 . 1 . 1 15 15 VAL HG11 H 1 0.7898301419 0.01081466846 . 1 . . . . . 15 VAL HG1# . 52790 1
96 . 1 . 1 15 15 VAL HG12 H 1 0.7898301419 0.01081466846 . 1 . . . . . 15 VAL HG1# . 52790 1
97 . 1 . 1 15 15 VAL HG13 H 1 0.7898301419 0.01081466846 . 1 . . . . . 15 VAL HG1# . 52790 1
98 . 1 . 1 15 15 VAL HG21 H 1 1.076652328 0.009994849114 . 1 . . . . . 15 VAL HG2# . 52790 1
99 . 1 . 1 15 15 VAL HG22 H 1 1.076652328 0.009994849114 . 1 . . . . . 15 VAL HG2# . 52790 1
100 . 1 . 1 15 15 VAL HG23 H 1 1.076652328 0.009994849114 . 1 . . . . . 15 VAL HG2# . 52790 1
101 . 1 . 1 15 15 VAL C C 13 178.6917718 . . 1 . . . . . 15 VAL C . 52790 1
102 . 1 . 1 15 15 VAL CA C 13 65.32762775 0.04872771093 . 1 . . . . . 15 VAL CA . 52790 1
103 . 1 . 1 15 15 VAL CB C 13 30.83268355 0.03081683982 . 1 . . . . . 15 VAL CB . 52790 1
104 . 1 . 1 15 15 VAL CG1 C 13 20.62848955 0.04880604408 . 1 . . . . . 15 VAL CG1 . 52790 1
105 . 1 . 1 15 15 VAL CG2 C 13 22.2601773 0.05315594487 . 1 . . . . . 15 VAL CG2 . 52790 1
106 . 1 . 1 15 15 VAL N N 15 121.7217584 0.1055027319 . 1 . . . . . 15 VAL N . 52790 1
107 . 1 . 1 16 16 ILE H H 1 8.750949451 0.02403494547 . 1 . . . . . 16 ILE H . 52790 1
108 . 1 . 1 16 16 ILE HD11 H 1 0.6778270449 0.006811208673 . 1 . . . . . 16 ILE HD1# . 52790 1
109 . 1 . 1 16 16 ILE HD12 H 1 0.6778270449 0.006811208673 . 1 . . . . . 16 ILE HD1# . 52790 1
110 . 1 . 1 16 16 ILE HD13 H 1 0.6778270449 0.006811208673 . 1 . . . . . 16 ILE HD1# . 52790 1
111 . 1 . 1 16 16 ILE C C 13 177.9651857 . . 1 . . . . . 16 ILE C . 52790 1
112 . 1 . 1 16 16 ILE CA C 13 64.39568628 0.006602614865 . 1 . . . . . 16 ILE CA . 52790 1
113 . 1 . 1 16 16 ILE CB C 13 35.94585406 0.04637671 . 1 . . . . . 16 ILE CB . 52790 1
114 . 1 . 1 16 16 ILE CD1 C 13 10.94023291 0.06270383475 . 1 . . . . . 16 ILE CD1 . 52790 1
115 . 1 . 1 16 16 ILE N N 15 122.2522677 0.06313116812 . 1 . . . . . 16 ILE N . 52790 1
116 . 1 . 1 17 17 GLY H H 1 8.542026115 0.01745747593 . 1 . . . . . 17 GLY H . 52790 1
117 . 1 . 1 17 17 GLY C C 13 174.1469746 . . 1 . . . . . 17 GLY C . 52790 1
118 . 1 . 1 17 17 GLY CA C 13 47.42227003 0.00814551498 . 1 . . . . . 17 GLY CA . 52790 1
119 . 1 . 1 17 17 GLY N N 15 108.120232 0.07595253224 . 1 . . . . . 17 GLY N . 52790 1
120 . 1 . 1 18 18 THR H H 1 7.563255906 0.01195638448 . 1 . . . . . 18 THR H . 52790 1
121 . 1 . 1 18 18 THR HG21 H 1 0.9629326406 0.009606386695 . 1 . . . . . 18 THR HG2# . 52790 1
122 . 1 . 1 18 18 THR HG22 H 1 0.9629326406 0.009606386695 . 1 . . . . . 18 THR HG2# . 52790 1
123 . 1 . 1 18 18 THR HG23 H 1 0.9629326406 0.009606386695 . 1 . . . . . 18 THR HG2# . 52790 1
124 . 1 . 1 18 18 THR C C 13 174.8878997 . . 1 . . . . . 18 THR C . 52790 1
125 . 1 . 1 18 18 THR CA C 13 66.13359465 0.006053520122 . 1 . . . . . 18 THR CA . 52790 1
126 . 1 . 1 18 18 THR CB C 13 67.90620658 . . 1 . . . . . 18 THR CB . 52790 1
127 . 1 . 1 18 18 THR CG2 C 13 21.78169911 0.04450893894 . 1 . . . . . 18 THR CG2 . 52790 1
128 . 1 . 1 18 18 THR N N 15 116.7523516 0.2579233944 . 1 . . . . . 18 THR N . 52790 1
129 . 1 . 1 19 19 THR H H 1 7.510347127 0.0135513209 . 1 . . . . . 19 THR H . 52790 1
130 . 1 . 1 19 19 THR HG21 H 1 1.202829243 0.008264399669 . 1 . . . . . 19 THR HG2# . 52790 1
131 . 1 . 1 19 19 THR HG22 H 1 1.202829243 0.008264399669 . 1 . . . . . 19 THR HG2# . 52790 1
132 . 1 . 1 19 19 THR HG23 H 1 1.202829243 0.008264399669 . 1 . . . . . 19 THR HG2# . 52790 1
133 . 1 . 1 19 19 THR C C 13 177.0468683 . . 1 . . . . . 19 THR C . 52790 1
134 . 1 . 1 19 19 THR CA C 13 67.0370225 0.005361925097 . 1 . . . . . 19 THR CA . 52790 1
135 . 1 . 1 19 19 THR CB C 13 67.81086878 0.03747019501 . 1 . . . . . 19 THR CB . 52790 1
136 . 1 . 1 19 19 THR CG2 C 13 20.72754503 0.05307335279 . 1 . . . . . 19 THR CG2 . 52790 1
137 . 1 . 1 19 19 THR N N 15 117.3709359 0.08075185541 . 1 . . . . . 19 THR N . 52790 1
138 . 1 . 1 20 20 LEU H H 1 8.535426388 0.009996941596 . 1 . . . . . 20 LEU H . 52790 1
139 . 1 . 1 20 20 LEU HD11 H 1 0.7354824336 0.0085130458 . 1 . . . . . 20 LEU HD1# . 52790 1
140 . 1 . 1 20 20 LEU HD12 H 1 0.7354824336 0.0085130458 . 1 . . . . . 20 LEU HD1# . 52790 1
141 . 1 . 1 20 20 LEU HD13 H 1 0.7354824336 0.0085130458 . 1 . . . . . 20 LEU HD1# . 52790 1
142 . 1 . 1 20 20 LEU HD21 H 1 0.7833306435 0.00794384561 . 1 . . . . . 20 LEU HD2# . 52790 1
143 . 1 . 1 20 20 LEU HD22 H 1 0.7833306435 0.00794384561 . 1 . . . . . 20 LEU HD2# . 52790 1
144 . 1 . 1 20 20 LEU HD23 H 1 0.7833306435 0.00794384561 . 1 . . . . . 20 LEU HD2# . 52790 1
145 . 1 . 1 20 20 LEU C C 13 178.4941796 . . 1 . . . . . 20 LEU C . 52790 1
146 . 1 . 1 20 20 LEU CA C 13 57.71523117 0.01223601499 . 1 . . . . . 20 LEU CA . 52790 1
147 . 1 . 1 20 20 LEU CB C 13 39.91179295 0.06986571501 . 1 . . . . . 20 LEU CB . 52790 1
148 . 1 . 1 20 20 LEU CD1 C 13 25.66402419 0.1202954135 . 1 . . . . . 20 LEU CD1 . 52790 1
149 . 1 . 1 20 20 LEU CD2 C 13 22.55355899 0.04705128006 . 1 . . . . . 20 LEU CD2 . 52790 1
150 . 1 . 1 20 20 LEU N N 15 121.6397789 0.06766678023 . 1 . . . . . 20 LEU N . 52790 1
151 . 1 . 1 21 21 MET H H 1 8.049223745 0.009324871543 . 1 . . . . . 21 MET H . 52790 1
152 . 1 . 1 21 21 MET C C 13 181.5683201 . . 1 . . . . . 21 MET C . 52790 1
153 . 1 . 1 21 21 MET CA C 13 59.38114821 . . 1 . . . . . 21 MET CA . 52790 1
154 . 1 . 1 21 21 MET CB C 13 32.06593825 0.007193049999 . 1 . . . . . 21 MET CB . 52790 1
155 . 1 . 1 21 21 MET N N 15 121.4475901 0.0664426962 . 1 . . . . . 21 MET N . 52790 1
156 . 1 . 1 22 22 LYS H H 1 7.583677971 0.01562030109 . 1 . . . . . 22 LYS H . 52790 1
157 . 1 . 1 22 22 LYS C C 13 178.198323 . . 1 . . . . . 22 LYS C . 52790 1
158 . 1 . 1 22 22 LYS CA C 13 59.5254178 . . 1 . . . . . 22 LYS CA . 52790 1
159 . 1 . 1 22 22 LYS CB C 13 29.99445952 0.0713424 . 1 . . . . . 22 LYS CB . 52790 1
160 . 1 . 1 22 22 LYS N N 15 124.7759675 0.05185017361 . 1 . . . . . 22 LYS N . 52790 1
161 . 1 . 1 23 23 PHE H H 1 7.501677221 0.01971785542 . 1 . . . . . 23 PHE H . 52790 1
162 . 1 . 1 23 23 PHE C C 13 176.0658296 . . 1 . . . . . 23 PHE C . 52790 1
163 . 1 . 1 23 23 PHE CA C 13 59.80017832 0.014841155 . 1 . . . . . 23 PHE CA . 52790 1
164 . 1 . 1 23 23 PHE CB C 13 38.50401602 0.02267055499 . 1 . . . . . 23 PHE CB . 52790 1
165 . 1 . 1 23 23 PHE N N 15 118.9576602 0.07810221514 . 1 . . . . . 23 PHE N . 52790 1
166 . 1 . 1 24 24 SER H H 1 7.986262384 0.01191185255 . 1 . . . . . 24 SER H . 52790 1
167 . 1 . 1 24 24 SER C C 13 173.5854769 . . 1 . . . . . 24 SER C . 52790 1
168 . 1 . 1 24 24 SER CA C 13 60.5628508 0.00547451502 . 1 . . . . . 24 SER CA . 52790 1
169 . 1 . 1 24 24 SER CB C 13 63.38333139 0.007403014961 . 1 . . . . . 24 SER CB . 52790 1
170 . 1 . 1 24 24 SER N N 15 113.6861184 0.06049210889 . 1 . . . . . 24 SER N . 52790 1
171 . 1 . 1 25 25 GLU H H 1 7.73556992 0.01110181007 . 1 . . . . . 25 GLU H . 52790 1
172 . 1 . 1 25 25 GLU C C 13 177.924396 . . 1 . . . . . 25 GLU C . 52790 1
173 . 1 . 1 25 25 GLU CA C 13 55.98949423 0.004154194978 . 1 . . . . . 25 GLU CA . 52790 1
174 . 1 . 1 25 25 GLU CB C 13 25.89514849 0.046785055 . 1 . . . . . 25 GLU CB . 52790 1
175 . 1 . 1 25 25 GLU N N 15 121.2280397 0.06227321138 . 1 . . . . . 25 GLU N . 52790 1
176 . 1 . 1 26 26 GLY H H 1 9.428731629 0.008883562721 . 1 . . . . . 26 GLY H . 52790 1
177 . 1 . 1 26 26 GLY C C 13 174.8675833 . . 1 . . . . . 26 GLY C . 52790 1
178 . 1 . 1 26 26 GLY CA C 13 46.00511465 0.0003688001741 . 1 . . . . . 26 GLY CA . 52790 1
179 . 1 . 1 26 26 GLY N N 15 112.0607127 0.04435861687 . 1 . . . . . 26 GLY N . 52790 1
180 . 1 . 1 27 27 PHE H H 1 7.952787029 0.0185718128 . 1 . . . . . 27 PHE H . 52790 1
181 . 1 . 1 27 27 PHE C C 13 173.897225 . . 1 . . . . . 27 PHE C . 52790 1
182 . 1 . 1 27 27 PHE CA C 13 59.54788867 . . 1 . . . . . 27 PHE CA . 52790 1
183 . 1 . 1 27 27 PHE CB C 13 35.70358052 . . 1 . . . . . 27 PHE CB . 52790 1
184 . 1 . 1 27 27 PHE N N 15 113.8804925 0.03696857947 . 1 . . . . . 27 PHE N . 52790 1
185 . 1 . 1 28 28 THR H H 1 7.567588261 0.01094062833 . 1 . . . . . 28 THR H . 52790 1
186 . 1 . 1 28 28 THR HG21 H 1 1.36823245 0.004834497659 . 1 . . . . . 28 THR HG2# . 52790 1
187 . 1 . 1 28 28 THR HG22 H 1 1.36823245 0.004834497659 . 1 . . . . . 28 THR HG2# . 52790 1
188 . 1 . 1 28 28 THR HG23 H 1 1.36823245 0.004834497659 . 1 . . . . . 28 THR HG2# . 52790 1
189 . 1 . 1 28 28 THR C C 13 175.1040718 . . 1 . . . . . 28 THR C . 52790 1
190 . 1 . 1 28 28 THR CA C 13 62.05388159 0.002457949998 . 1 . . . . . 28 THR CA . 52790 1
191 . 1 . 1 28 28 THR CB C 13 70.34816172 0.005949695013 . 1 . . . . . 28 THR CB . 52790 1
192 . 1 . 1 28 28 THR CG2 C 13 20.74353417 0.02023974294 . 1 . . . . . 28 THR CG2 . 52790 1
193 . 1 . 1 28 28 THR N N 15 102.3833856 0.09041458816 . 1 . . . . . 28 THR N . 52790 1
194 . 1 . 1 29 29 ARG H H 1 7.404356346 0.03407485073 . 1 . . . . . 29 ARG H . 52790 1
195 . 1 . 1 29 29 ARG C C 13 178.1674347 . . 1 . . . . . 29 ARG C . 52790 1
196 . 1 . 1 29 29 ARG CA C 13 54.05359493 0.003337205073 . 1 . . . . . 29 ARG CA . 52790 1
197 . 1 . 1 29 29 ARG CB C 13 30.29795863 0.0235825 . 1 . . . . . 29 ARG CB . 52790 1
198 . 1 . 1 29 29 ARG N N 15 120.0037001 0.1615154361 . 1 . . . . . 29 ARG N . 52790 1
199 . 1 . 1 30 30 LEU H H 1 9.079431325 0.01848985835 . 1 . . . . . 30 LEU H . 52790 1
200 . 1 . 1 30 30 LEU HD11 H 1 0.5610065533 0.01072057182 . 1 . . . . . 30 LEU HD1# . 52790 1
201 . 1 . 1 30 30 LEU HD12 H 1 0.5610065533 0.01072057182 . 1 . . . . . 30 LEU HD1# . 52790 1
202 . 1 . 1 30 30 LEU HD13 H 1 0.5610065533 0.01072057182 . 1 . . . . . 30 LEU HD1# . 52790 1
203 . 1 . 1 30 30 LEU HD21 H 1 0.3762933298 0.01771290852 . 1 . . . . . 30 LEU HD2# . 52790 1
204 . 1 . 1 30 30 LEU HD22 H 1 0.3762933298 0.01771290852 . 1 . . . . . 30 LEU HD2# . 52790 1
205 . 1 . 1 30 30 LEU HD23 H 1 0.3762933298 0.01771290852 . 1 . . . . . 30 LEU HD2# . 52790 1
206 . 1 . 1 30 30 LEU C C 13 177.4537636 . . 1 . . . . . 30 LEU C . 52790 1
207 . 1 . 1 30 30 LEU CA C 13 59.96508669 0.008722619986 . 1 . . . . . 30 LEU CA . 52790 1
208 . 1 . 1 30 30 LEU CB C 13 40.9876203 0.08887338672 . 1 . . . . . 30 LEU CB . 52790 1
209 . 1 . 1 30 30 LEU CD1 C 13 22.3367392 0.06630182479 . 1 . . . . . 30 LEU CD1 . 52790 1
210 . 1 . 1 30 30 LEU CD2 C 13 24.28171798 0.06389342558 . 1 . . . . . 30 LEU CD2 . 52790 1
211 . 1 . 1 30 30 LEU N N 15 131.3895808 0.06977275514 . 1 . . . . . 30 LEU N . 52790 1
212 . 1 . 1 31 31 TRP H H 1 9.330467957 0.01936534996 . 1 . . . . . 31 TRP H . 52790 1
213 . 1 . 1 31 31 TRP HE1 H 1 10.44312233 0.01457750577 . 1 . . . . . 31 TRP HE1 . 52790 1
214 . 1 . 1 31 31 TRP CA C 13 61.7014376 . . 1 . . . . . 31 TRP CA . 52790 1
215 . 1 . 1 31 31 TRP CB C 13 26.16738591 . . 1 . . . . . 31 TRP CB . 52790 1
216 . 1 . 1 31 31 TRP N N 15 119.2189147 0.102415561 . 1 . . . . . 31 TRP N . 52790 1
217 . 1 . 1 31 31 TRP NE1 N 15 130.0065854 0.08128482542 . 1 . . . . . 31 TRP NE1 . 52790 1
218 . 1 . 1 32 32 PRO C C 13 179.4700503 . . 1 . . . . . 32 PRO C . 52790 1
219 . 1 . 1 32 32 PRO CA C 13 65.24471536 . . 1 . . . . . 32 PRO CA . 52790 1
220 . 1 . 1 32 32 PRO CB C 13 30.42737707 . . 1 . . . . . 32 PRO CB . 52790 1
221 . 1 . 1 33 33 SER H H 1 7.451506647 0.006482268406 . 1 . . . . . 33 SER H . 52790 1
222 . 1 . 1 33 33 SER HA H 1 4.809901908 0.01565429063 . 1 . . . . . 33 SER HA . 52790 1
223 . 1 . 1 33 33 SER C C 13 175.0664798 . . 1 . . . . . 33 SER C . 52790 1
224 . 1 . 1 33 33 SER CA C 13 63.82435473 0.009201530015 . 1 . . . . . 33 SER CA . 52790 1
225 . 1 . 1 33 33 SER CB C 13 61.73341906 0.06918872 . 1 . . . . . 33 SER CB . 52790 1
226 . 1 . 1 33 33 SER N N 15 116.2684024 0.05741306977 . 1 . . . . . 33 SER N . 52790 1
227 . 1 . 1 34 34 VAL H H 1 8.39443083 0.01111440483 . 1 . . . . . 34 VAL H . 52790 1
228 . 1 . 1 34 34 VAL HG11 H 1 0.9448798807 0.005967040693 . 1 . . . . . 34 VAL HG1# . 52790 1
229 . 1 . 1 34 34 VAL HG12 H 1 0.9448798807 0.005967040693 . 1 . . . . . 34 VAL HG1# . 52790 1
230 . 1 . 1 34 34 VAL HG13 H 1 0.9448798807 0.005967040693 . 1 . . . . . 34 VAL HG1# . 52790 1
231 . 1 . 1 34 34 VAL HG21 H 1 0.8848367801 0.006549793552 . 1 . . . . . 34 VAL HG2# . 52790 1
232 . 1 . 1 34 34 VAL HG22 H 1 0.8848367801 0.006549793552 . 1 . . . . . 34 VAL HG2# . 52790 1
233 . 1 . 1 34 34 VAL HG23 H 1 0.8848367801 0.006549793552 . 1 . . . . . 34 VAL HG2# . 52790 1
234 . 1 . 1 34 34 VAL C C 13 178.5012072 . . 1 . . . . . 34 VAL C . 52790 1
235 . 1 . 1 34 34 VAL CA C 13 66.54078175 0.01824339549 . 1 . . . . . 34 VAL CA . 52790 1
236 . 1 . 1 34 34 VAL CB C 13 30.85277315 0 . 1 . . . . . 34 VAL CB . 52790 1
237 . 1 . 1 34 34 VAL CG1 C 13 20.63064935 0.04341107872 . 1 . . . . . 34 VAL CG1 . 52790 1
238 . 1 . 1 34 34 VAL CG2 C 13 22.12960749 0.04139181632 . 1 . . . . . 34 VAL CG2 . 52790 1
239 . 1 . 1 34 34 VAL N N 15 122.0301888 0.1372208889 . 1 . . . . . 34 VAL N . 52790 1
240 . 1 . 1 35 35 GLY H H 1 8.846152218 0.008850797696 . 1 . . . . . 35 GLY H . 52790 1
241 . 1 . 1 35 35 GLY C C 13 174.5835405 . . 1 . . . . . 35 GLY C . 52790 1
242 . 1 . 1 35 35 GLY CA C 13 47.72731976 0 . 1 . . . . . 35 GLY CA . 52790 1
243 . 1 . 1 35 35 GLY N N 15 105.0975565 0.108857896 . 1 . . . . . 35 GLY N . 52790 1
244 . 1 . 1 36 36 THR H H 1 8.220316106 0.008229579295 . 1 . . . . . 36 THR H . 52790 1
245 . 1 . 1 36 36 THR HG21 H 1 1.090573819 0.01236696691 . 1 . . . . . 36 THR HG2# . 52790 1
246 . 1 . 1 36 36 THR HG22 H 1 1.090573819 0.01236696691 . 1 . . . . . 36 THR HG2# . 52790 1
247 . 1 . 1 36 36 THR HG23 H 1 1.090573819 0.01236696691 . 1 . . . . . 36 THR HG2# . 52790 1
248 . 1 . 1 36 36 THR C C 13 175.155844 . . 1 . . . . . 36 THR C . 52790 1
249 . 1 . 1 36 36 THR CA C 13 68.46398393 0.01252162996 . 1 . . . . . 36 THR CA . 52790 1
250 . 1 . 1 36 36 THR CG2 C 13 20.92276454 0.06583427568 . 1 . . . . . 36 THR CG2 . 52790 1
251 . 1 . 1 36 36 THR N N 15 121.2256095 0.1122832634 . 1 . . . . . 36 THR N . 52790 1
252 . 1 . 1 37 37 ILE H H 1 7.45762671 0.009041466801 . 1 . . . . . 37 ILE H . 52790 1
253 . 1 . 1 37 37 ILE HD11 H 1 0.8828696656 0.009372032391 . 1 . . . . . 37 ILE HD1# . 52790 1
254 . 1 . 1 37 37 ILE HD12 H 1 0.8828696656 0.009372032391 . 1 . . . . . 37 ILE HD1# . 52790 1
255 . 1 . 1 37 37 ILE HD13 H 1 0.8828696656 0.009372032391 . 1 . . . . . 37 ILE HD1# . 52790 1
256 . 1 . 1 37 37 ILE C C 13 178.2201291 . . 1 . . . . . 37 ILE C . 52790 1
257 . 1 . 1 37 37 ILE CA C 13 65.14233649 . . 1 . . . . . 37 ILE CA . 52790 1
258 . 1 . 1 37 37 ILE CB C 13 37.3603654 . . 1 . . . . . 37 ILE CB . 52790 1
259 . 1 . 1 37 37 ILE CD1 C 13 12.13381145 0.05315655187 . 1 . . . . . 37 ILE CD1 . 52790 1
260 . 1 . 1 37 37 ILE N N 15 119.4657939 0.1841081254 . 1 . . . . . 37 ILE N . 52790 1
261 . 1 . 1 38 38 ILE H H 1 8.323086236 0.02073471732 . 1 . . . . . 38 ILE H . 52790 1
262 . 1 . 1 38 38 ILE HD11 H 1 0.7804367451 0.005676148162 . 1 . . . . . 38 ILE HD1# . 52790 1
263 . 1 . 1 38 38 ILE HD12 H 1 0.7804367451 0.005676148162 . 1 . . . . . 38 ILE HD1# . 52790 1
264 . 1 . 1 38 38 ILE HD13 H 1 0.7804367451 0.005676148162 . 1 . . . . . 38 ILE HD1# . 52790 1
265 . 1 . 1 38 38 ILE C C 13 177.674711 . . 1 . . . . . 38 ILE C . 52790 1
266 . 1 . 1 38 38 ILE CA C 13 65.40131422 . . 1 . . . . . 38 ILE CA . 52790 1
267 . 1 . 1 38 38 ILE CB C 13 36.83160324 0.049096535 . 1 . . . . . 38 ILE CB . 52790 1
268 . 1 . 1 38 38 ILE CD1 C 13 12.45117795 0.01651276421 . 1 . . . . . 38 ILE CD1 . 52790 1
269 . 1 . 1 38 38 ILE N N 15 118.5821376 0.04795486458 . 1 . . . . . 38 ILE N . 52790 1
270 . 1 . 1 39 39 CYS H H 1 8.248555857 0.01660061406 . 1 . . . . . 39 CYS H . 52790 1
271 . 1 . 1 39 39 CYS C C 13 177.5624071 . . 1 . . . . . 39 CYS C . 52790 1
272 . 1 . 1 39 39 CYS CA C 13 65.38270735 0.040144465 . 1 . . . . . 39 CYS CA . 52790 1
273 . 1 . 1 39 39 CYS CB C 13 25.92218883 0.017979785 . 1 . . . . . 39 CYS CB . 52790 1
274 . 1 . 1 39 39 CYS N N 15 116.1974714 0.05198348769 . 1 . . . . . 39 CYS N . 52790 1
275 . 1 . 1 40 40 TYR H H 1 8.455946166 0.006438203413 . 1 . . . . . 40 TYR H . 52790 1
276 . 1 . 1 40 40 TYR C C 13 178.3367083 . . 1 . . . . . 40 TYR C . 52790 1
277 . 1 . 1 40 40 TYR CA C 13 60.88631091 0.001763015101 . 1 . . . . . 40 TYR CA . 52790 1
278 . 1 . 1 40 40 TYR CB C 13 36.09067295 . . 1 . . . . . 40 TYR CB . 52790 1
279 . 1 . 1 40 40 TYR N N 15 118.9855214 0.09511279633 . 1 . . . . . 40 TYR N . 52790 1
280 . 1 . 1 41 41 CYS H H 1 8.419598973 0.01229982201 . 1 . . . . . 41 CYS H . 52790 1
281 . 1 . 1 41 41 CYS C C 13 176.5268891 . . 1 . . . . . 41 CYS C . 52790 1
282 . 1 . 1 41 41 CYS CA C 13 65.03488374 0.003378269951 . 1 . . . . . 41 CYS CA . 52790 1
283 . 1 . 1 41 41 CYS CB C 13 26.16347517 0.041017805 . 1 . . . . . 41 CYS CB . 52790 1
284 . 1 . 1 41 41 CYS N N 15 117.323361 0.09187305319 . 1 . . . . . 41 CYS N . 52790 1
285 . 1 . 1 42 42 ALA H H 1 8.377384398 0.01264530278 . 1 . . . . . 42 ALA H . 52790 1
286 . 1 . 1 42 42 ALA HB1 H 1 1.438448449 0.008209820928 . 1 . . . . . 42 ALA HB# . 52790 1
287 . 1 . 1 42 42 ALA HB2 H 1 1.438448449 0.008209820928 . 1 . . . . . 42 ALA HB# . 52790 1
288 . 1 . 1 42 42 ALA HB3 H 1 1.438448449 0.008209820928 . 1 . . . . . 42 ALA HB# . 52790 1
289 . 1 . 1 42 42 ALA C C 13 178.5846968 . . 1 . . . . . 42 ALA C . 52790 1
290 . 1 . 1 42 42 ALA CA C 13 54.94227523 0.01146455001 . 1 . . . . . 42 ALA CA . 52790 1
291 . 1 . 1 42 42 ALA CB C 13 16.74687951 0.02408772106 . 1 . . . . . 42 ALA CB . 52790 1
292 . 1 . 1 42 42 ALA N N 15 119.3404852 0.04540497484 . 1 . . . . . 42 ALA N . 52790 1
293 . 1 . 1 43 43 SER H H 1 8.546349502 0.008222977343 . 1 . . . . . 43 SER H . 52790 1
294 . 1 . 1 43 43 SER C C 13 176.5140042 . . 1 . . . . . 43 SER C . 52790 1
295 . 1 . 1 43 43 SER CA C 13 63.00567487 0.01008630497 . 1 . . . . . 43 SER CA . 52790 1
296 . 1 . 1 43 43 SER CB C 13 63.84397056 0.057073165 . 1 . . . . . 43 SER CB . 52790 1
297 . 1 . 1 43 43 SER N N 15 112.4923303 0.03244459863 . 1 . . . . . 43 SER N . 52790 1
298 . 1 . 1 44 44 PHE H H 1 8.177441216 0.008508178985 . 1 . . . . . 44 PHE H . 52790 1
299 . 1 . 1 44 44 PHE C C 13 177.5321522 . . 1 . . . . . 44 PHE C . 52790 1
300 . 1 . 1 44 44 PHE CA C 13 60.00329865 0.018907235 . 1 . . . . . 44 PHE CA . 52790 1
301 . 1 . 1 44 44 PHE CB C 13 37.79200997 0.03172703501 . 1 . . . . . 44 PHE CB . 52790 1
302 . 1 . 1 44 44 PHE N N 15 116.5420961 0.1179446978 . 1 . . . . . 44 PHE N . 52790 1
303 . 1 . 1 45 45 TRP H H 1 8.369433233 0.008502612537 . 1 . . . . . 45 TRP H . 52790 1
304 . 1 . 1 45 45 TRP HE1 H 1 10.47134325 0.0112535056 . 1 . . . . . 45 TRP HE1 . 52790 1
305 . 1 . 1 45 45 TRP C C 13 178.3672696 . . 1 . . . . . 45 TRP C . 52790 1
306 . 1 . 1 45 45 TRP CA C 13 62.23054975 0.01794933 . 1 . . . . . 45 TRP CA . 52790 1
307 . 1 . 1 45 45 TRP CB C 13 28.55915542 0.03588165 . 1 . . . . . 45 TRP CB . 52790 1
308 . 1 . 1 45 45 TRP N N 15 120.7790338 0.07970145173 . 1 . . . . . 45 TRP N . 52790 1
309 . 1 . 1 45 45 TRP NE1 N 15 131.1605774 0.05371805389 . 1 . . . . . 45 TRP NE1 . 52790 1
310 . 1 . 1 46 46 LEU H H 1 8.827655399 0.0143730369 . 1 . . . . . 46 LEU H . 52790 1
311 . 1 . 1 46 46 LEU HD11 H 1 0.8128213236 0.007171566173 . 1 . . . . . 46 LEU HD1# . 52790 1
312 . 1 . 1 46 46 LEU HD12 H 1 0.8128213236 0.007171566173 . 1 . . . . . 46 LEU HD1# . 52790 1
313 . 1 . 1 46 46 LEU HD13 H 1 0.8128213236 0.007171566173 . 1 . . . . . 46 LEU HD1# . 52790 1
314 . 1 . 1 46 46 LEU HD21 H 1 1.081260555 0.009782923921 . 1 . . . . . 46 LEU HD2# . 52790 1
315 . 1 . 1 46 46 LEU HD22 H 1 1.081260555 0.009782923921 . 1 . . . . . 46 LEU HD2# . 52790 1
316 . 1 . 1 46 46 LEU HD23 H 1 1.081260555 0.009782923921 . 1 . . . . . 46 LEU HD2# . 52790 1
317 . 1 . 1 46 46 LEU C C 13 179.3926332 . . 1 . . . . . 46 LEU C . 52790 1
318 . 1 . 1 46 46 LEU CA C 13 57.87663191 0.04780491 . 1 . . . . . 46 LEU CA . 52790 1
319 . 1 . 1 46 46 LEU CB C 13 40.75796651 0.1276587578 . 1 . . . . . 46 LEU CB . 52790 1
320 . 1 . 1 46 46 LEU CD1 C 13 24.58971942 0.07147443616 . 1 . . . . . 46 LEU CD1 . 52790 1
321 . 1 . 1 46 46 LEU CD2 C 13 23.57040008 0.07349496379 . 1 . . . . . 46 LEU CD2 . 52790 1
322 . 1 . 1 46 46 LEU N N 15 118.7066124 0.03818689639 . 1 . . . . . 46 LEU N . 52790 1
323 . 1 . 1 47 47 LEU H H 1 8.408606628 0.01378948617 . 1 . . . . . 47 LEU H . 52790 1
324 . 1 . 1 47 47 LEU HD11 H 1 0.3162742306 0.005653208019 . 1 . . . . . 47 LEU HD1# . 52790 1
325 . 1 . 1 47 47 LEU HD12 H 1 0.3162742306 0.005653208019 . 1 . . . . . 47 LEU HD1# . 52790 1
326 . 1 . 1 47 47 LEU HD13 H 1 0.3162742306 0.005653208019 . 1 . . . . . 47 LEU HD1# . 52790 1
327 . 1 . 1 47 47 LEU HD21 H 1 -0.09265429519 0.007044149974 . 1 . . . . . 47 LEU HD2# . 52790 1
328 . 1 . 1 47 47 LEU HD22 H 1 -0.09265429519 0.007044149974 . 1 . . . . . 47 LEU HD2# . 52790 1
329 . 1 . 1 47 47 LEU HD23 H 1 -0.09265429519 0.007044149974 . 1 . . . . . 47 LEU HD2# . 52790 1
330 . 1 . 1 47 47 LEU C C 13 179.0963491 . . 1 . . . . . 47 LEU C . 52790 1
331 . 1 . 1 47 47 LEU CA C 13 57.35451375 0.00837032002 . 1 . . . . . 47 LEU CA . 52790 1
332 . 1 . 1 47 47 LEU CB C 13 40.78788688 0.05658046809 . 1 . . . . . 47 LEU CB . 52790 1
333 . 1 . 1 47 47 LEU CD1 C 13 21.92449309 0.04510380251 . 1 . . . . . 47 LEU CD1 . 52790 1
334 . 1 . 1 47 47 LEU CD2 C 13 23.14667528 0.05400635429 . 1 . . . . . 47 LEU CD2 . 52790 1
335 . 1 . 1 47 47 LEU N N 15 121.1797703 0.1115113864 . 1 . . . . . 47 LEU N . 52790 1
336 . 1 . 1 48 48 ALA H H 1 8.216641191 0.01542469881 . 1 . . . . . 48 ALA H . 52790 1
337 . 1 . 1 48 48 ALA HB1 H 1 1.336336354 0.004542392153 . 1 . . . . . 48 ALA HB# . 52790 1
338 . 1 . 1 48 48 ALA HB2 H 1 1.336336354 0.004542392153 . 1 . . . . . 48 ALA HB# . 52790 1
339 . 1 . 1 48 48 ALA HB3 H 1 1.336336354 0.004542392153 . 1 . . . . . 48 ALA HB# . 52790 1
340 . 1 . 1 48 48 ALA C C 13 179.9556857 . . 1 . . . . . 48 ALA C . 52790 1
341 . 1 . 1 48 48 ALA CA C 13 54.66891268 0.05129725501 . 1 . . . . . 48 ALA CA . 52790 1
342 . 1 . 1 48 48 ALA CB C 13 16.5826866 0.03841234931 . 1 . . . . . 48 ALA CB . 52790 1
343 . 1 . 1 48 48 ALA N N 15 121.3858607 0.07966185956 . 1 . . . . . 48 ALA N . 52790 1
344 . 1 . 1 49 49 GLN H H 1 7.374397226 0.008734478335 . 1 . . . . . 49 GLN H . 52790 1
345 . 1 . 1 49 49 GLN C C 13 178.2389598 . . 1 . . . . . 49 GLN C . 52790 1
346 . 1 . 1 49 49 GLN CA C 13 56.44833023 0.02984207001 . 1 . . . . . 49 GLN CA . 52790 1
347 . 1 . 1 49 49 GLN CB C 13 26.66932099 0.066404 . 1 . . . . . 49 GLN CB . 52790 1
348 . 1 . 1 49 49 GLN N N 15 114.5171166 0.07238741311 . 1 . . . . . 49 GLN N . 52790 1
349 . 1 . 1 50 50 THR H H 1 7.579691595 0.006393120404 . 1 . . . . . 50 THR H . 52790 1
350 . 1 . 1 50 50 THR HG21 H 1 1.326232685 0.006041158868 . 1 . . . . . 50 THR HG2# . 52790 1
351 . 1 . 1 50 50 THR HG22 H 1 1.326232685 0.006041158868 . 1 . . . . . 50 THR HG2# . 52790 1
352 . 1 . 1 50 50 THR HG23 H 1 1.326232685 0.006041158868 . 1 . . . . . 50 THR HG2# . 52790 1
353 . 1 . 1 50 50 THR C C 13 176.6960409 . . 1 . . . . . 50 THR C . 52790 1
354 . 1 . 1 50 50 THR CA C 13 65.50115062 0 . 1 . . . . . 50 THR CA . 52790 1
355 . 1 . 1 50 50 THR CB C 13 68.63665061 0.066404 . 1 . . . . . 50 THR CB . 52790 1
356 . 1 . 1 50 50 THR CG2 C 13 22.40717299 0.03426586815 . 1 . . . . . 50 THR CG2 . 52790 1
357 . 1 . 1 50 50 THR N N 15 111.2313008 0.1432931478 . 1 . . . . . 50 THR N . 52790 1
358 . 1 . 1 51 51 LEU H H 1 7.204311257 0.0112556514 . 1 . . . . . 51 LEU H . 52790 1
359 . 1 . 1 51 51 LEU HD11 H 1 0.8304309398 0.004279505339 . 1 . . . . . 51 LEU HD1# . 52790 1
360 . 1 . 1 51 51 LEU HD12 H 1 0.8304309398 0.004279505339 . 1 . . . . . 51 LEU HD1# . 52790 1
361 . 1 . 1 51 51 LEU HD13 H 1 0.8304309398 0.004279505339 . 1 . . . . . 51 LEU HD1# . 52790 1
362 . 1 . 1 51 51 LEU HD21 H 1 0.694105813 0.006500508254 . 1 . . . . . 51 LEU HD2# . 52790 1
363 . 1 . 1 51 51 LEU HD22 H 1 0.694105813 0.006500508254 . 1 . . . . . 51 LEU HD2# . 52790 1
364 . 1 . 1 51 51 LEU HD23 H 1 0.694105813 0.006500508254 . 1 . . . . . 51 LEU HD2# . 52790 1
365 . 1 . 1 51 51 LEU C C 13 177.1739674 . . 1 . . . . . 51 LEU C . 52790 1
366 . 1 . 1 51 51 LEU CA C 13 55.94869527 0 . 1 . . . . . 51 LEU CA . 52790 1
367 . 1 . 1 51 51 LEU CB C 13 39.40706021 0.1106385632 . 1 . . . . . 51 LEU CB . 52790 1
368 . 1 . 1 51 51 LEU CD1 C 13 24.56553111 0.02203914596 . 1 . . . . . 51 LEU CD1 . 52790 1
369 . 1 . 1 51 51 LEU CD2 C 13 21.9396583 0.04212093078 . 1 . . . . . 51 LEU CD2 . 52790 1
370 . 1 . 1 51 51 LEU N N 15 119.9704754 0.05004841473 . 1 . . . . . 51 LEU N . 52790 1
371 . 1 . 1 52 52 ALA H H 1 7.126888896 0.006084706906 . 1 . . . . . 52 ALA H . 52790 1
372 . 1 . 1 52 52 ALA HB1 H 1 1.348441677 0.002242946252 . 1 . . . . . 52 ALA HB# . 52790 1
373 . 1 . 1 52 52 ALA HB2 H 1 1.348441677 0.002242946252 . 1 . . . . . 52 ALA HB# . 52790 1
374 . 1 . 1 52 52 ALA HB3 H 1 1.348441677 0.002242946252 . 1 . . . . . 52 ALA HB# . 52790 1
375 . 1 . 1 52 52 ALA C C 13 177.495409 . . 1 . . . . . 52 ALA C . 52790 1
376 . 1 . 1 52 52 ALA CA C 13 52.89504151 0 . 1 . . . . . 52 ALA CA . 52790 1
377 . 1 . 1 52 52 ALA CB C 13 17.46100128 0.1616682276 . 1 . . . . . 52 ALA CB . 52790 1
378 . 1 . 1 52 52 ALA N N 15 118.8194172 0.06890404337 . 1 . . . . . 52 ALA N . 52790 1
379 . 1 . 1 53 53 TYR H H 1 7.756423446 0.009848894823 . 1 . . . . . 53 TYR H . 52790 1
380 . 1 . 1 53 53 TYR C C 13 174.9168649 . . 1 . . . . . 53 TYR C . 52790 1
381 . 1 . 1 53 53 TYR CA C 13 58.18021148 0.03914941 . 1 . . . . . 53 TYR CA . 52790 1
382 . 1 . 1 53 53 TYR CB C 13 41.61022157 0 . 1 . . . . . 53 TYR CB . 52790 1
383 . 1 . 1 53 53 TYR N N 15 113.8657493 0.0812869933 . 1 . . . . . 53 TYR N . 52790 1
384 . 1 . 1 54 54 ILE H H 1 7.83175972 0.01318455661 . 1 . . . . . 54 ILE H . 52790 1
385 . 1 . 1 54 54 ILE HD11 H 1 0.5369018243 0.009808888015 . 1 . . . . . 54 ILE HD1# . 52790 1
386 . 1 . 1 54 54 ILE HD12 H 1 0.5369018243 0.009808888015 . 1 . . . . . 54 ILE HD1# . 52790 1
387 . 1 . 1 54 54 ILE HD13 H 1 0.5369018243 0.009808888015 . 1 . . . . . 54 ILE HD1# . 52790 1
388 . 1 . 1 54 54 ILE CA C 13 57.43637274 . . 1 . . . . . 54 ILE CA . 52790 1
389 . 1 . 1 54 54 ILE CB C 13 39.7509095 . . 1 . . . . . 54 ILE CB . 52790 1
390 . 1 . 1 54 54 ILE CD1 C 13 12.25052373 0.04021922956 . 1 . . . . . 54 ILE CD1 . 52790 1
391 . 1 . 1 54 54 ILE N N 15 119.1876061 0.08014731309 . 1 . . . . . 54 ILE N . 52790 1
392 . 1 . 1 55 55 PRO C C 13 177.7633697 . . 1 . . . . . 55 PRO C . 52790 1
393 . 1 . 1 55 55 PRO CA C 13 62.76069212 . . 1 . . . . . 55 PRO CA . 52790 1
394 . 1 . 1 55 55 PRO CB C 13 31.91523719 . . 1 . . . . . 55 PRO CB . 52790 1
395 . 1 . 1 56 56 THR H H 1 8.208885638 0.007300120816 . 1 . . . . . 56 THR H . 52790 1
396 . 1 . 1 56 56 THR HG21 H 1 1.209823379 0.004485931379 . 1 . . . . . 56 THR HG2# . 52790 1
397 . 1 . 1 56 56 THR HG22 H 1 1.209823379 0.004485931379 . 1 . . . . . 56 THR HG2# . 52790 1
398 . 1 . 1 56 56 THR HG23 H 1 1.209823379 0.004485931379 . 1 . . . . . 56 THR HG2# . 52790 1
399 . 1 . 1 56 56 THR C C 13 175.7812839 . . 1 . . . . . 56 THR C . 52790 1
400 . 1 . 1 56 56 THR CA C 13 65.85349529 0.03914940499 . 1 . . . . . 56 THR CA . 52790 1
401 . 1 . 1 56 56 THR CB C 13 68.17182259 0 . 1 . . . . . 56 THR CB . 52790 1
402 . 1 . 1 56 56 THR CG2 C 13 21.3428077 0.02473217197 . 1 . . . . . 56 THR CG2 . 52790 1
403 . 1 . 1 56 56 THR N N 15 118.3736823 0.06714599108 . 1 . . . . . 56 THR N . 52790 1
404 . 1 . 1 57 57 GLY H H 1 8.789536443 0.01299732584 . 1 . . . . . 57 GLY H . 52790 1
405 . 1 . 1 57 57 GLY C C 13 176.1236804 . . 1 . . . . . 57 GLY C . 52790 1
406 . 1 . 1 57 57 GLY CA C 13 47.25752688 0 . 1 . . . . . 57 GLY CA . 52790 1
407 . 1 . 1 57 57 GLY N N 15 107.1673804 0.09592614761 . 1 . . . . . 57 GLY N . 52790 1
408 . 1 . 1 58 58 ILE H H 1 6.90754895 0.01577107373 . 1 . . . . . 58 ILE H . 52790 1
409 . 1 . 1 58 58 ILE HD11 H 1 0.9468684543 0.01000251625 . 1 . . . . . 58 ILE HD1# . 52790 1
410 . 1 . 1 58 58 ILE HD12 H 1 0.9468684543 0.01000251625 . 1 . . . . . 58 ILE HD1# . 52790 1
411 . 1 . 1 58 58 ILE HD13 H 1 0.9468684543 0.01000251625 . 1 . . . . . 58 ILE HD1# . 52790 1
412 . 1 . 1 58 58 ILE C C 13 176.9142814 . . 1 . . . . . 58 ILE C . 52790 1
413 . 1 . 1 58 58 ILE CA C 13 64.39417699 0.01079023501 . 1 . . . . . 58 ILE CA . 52790 1
414 . 1 . 1 58 58 ILE CB C 13 36.89553738 0.066404005 . 1 . . . . . 58 ILE CB . 52790 1
415 . 1 . 1 58 58 ILE CD1 C 13 12.24023837 0.03436860407 . 1 . . . . . 58 ILE CD1 . 52790 1
416 . 1 . 1 58 58 ILE N N 15 119.4610471 0.09615422428 . 1 . . . . . 58 ILE N . 52790 1
417 . 1 . 1 59 59 ALA H H 1 7.931078171 0.01247754317 . 1 . . . . . 59 ALA H . 52790 1
418 . 1 . 1 59 59 ALA HB1 H 1 1.216607112 0.005394602514 . 1 . . . . . 59 ALA HB# . 52790 1
419 . 1 . 1 59 59 ALA HB2 H 1 1.216607112 0.005394602514 . 1 . . . . . 59 ALA HB# . 52790 1
420 . 1 . 1 59 59 ALA HB3 H 1 1.216607112 0.005394602514 . 1 . . . . . 59 ALA HB# . 52790 1
421 . 1 . 1 59 59 ALA C C 13 179.450115 . . 1 . . . . . 59 ALA C . 52790 1
422 . 1 . 1 59 59 ALA CA C 13 55.51805179 0.03914941 . 1 . . . . . 59 ALA CA . 52790 1
423 . 1 . 1 59 59 ALA CB C 13 17.25288564 0.04617131689 . 1 . . . . . 59 ALA CB . 52790 1
424 . 1 . 1 59 59 ALA N N 15 121.4142857 0.06059624665 . 1 . . . . . 59 ALA N . 52790 1
425 . 1 . 1 60 60 TYR H H 1 8.709873261 0.006017038162 . 1 . . . . . 60 TYR H . 52790 1
426 . 1 . 1 60 60 TYR C C 13 177.8171208 . . 1 . . . . . 60 TYR C . 52790 1
427 . 1 . 1 60 60 TYR CA C 13 60.88951952 0.007998949995 . 1 . . . . . 60 TYR CA . 52790 1
428 . 1 . 1 60 60 TYR CB C 13 37.36204292 0.001677519967 . 1 . . . . . 60 TYR CB . 52790 1
429 . 1 . 1 60 60 TYR N N 15 115.1407514 0.06966671931 . 1 . . . . . 60 TYR N . 52790 1
430 . 1 . 1 61 61 ALA H H 1 8.147290351 0.01530154761 . 1 . . . . . 61 ALA H . 52790 1
431 . 1 . 1 61 61 ALA HB1 H 1 1.607819254 0.007133884377 . 1 . . . . . 61 ALA HB# . 52790 1
432 . 1 . 1 61 61 ALA HB2 H 1 1.607819254 0.007133884377 . 1 . . . . . 61 ALA HB# . 52790 1
433 . 1 . 1 61 61 ALA HB3 H 1 1.607819254 0.007133884377 . 1 . . . . . 61 ALA HB# . 52790 1
434 . 1 . 1 61 61 ALA C C 13 180.0338279 . . 1 . . . . . 61 ALA C . 52790 1
435 . 1 . 1 61 61 ALA CA C 13 55.26521531 0.02104755 . 1 . . . . . 61 ALA CA . 52790 1
436 . 1 . 1 61 61 ALA CB C 13 18.13337812 0.06578573248 . 1 . . . . . 61 ALA CB . 52790 1
437 . 1 . 1 61 61 ALA N N 15 119.6570885 0.07194708116 . 1 . . . . . 61 ALA N . 52790 1
438 . 1 . 1 62 62 ILE H H 1 8.16820925 0.01520533215 . 1 . . . . . 62 ILE H . 52790 1
439 . 1 . 1 62 62 ILE HD11 H 1 0.8389847437 0.00629517458 . 1 . . . . . 62 ILE HD1# . 52790 1
440 . 1 . 1 62 62 ILE HD12 H 1 0.8389847437 0.00629517458 . 1 . . . . . 62 ILE HD1# . 52790 1
441 . 1 . 1 62 62 ILE HD13 H 1 0.8389847437 0.00629517458 . 1 . . . . . 62 ILE HD1# . 52790 1
442 . 1 . 1 62 62 ILE C C 13 177.1567309 . . 1 . . . . . 62 ILE C . 52790 1
443 . 1 . 1 62 62 ILE CA C 13 64.87169553 0.004881249956 . 1 . . . . . 62 ILE CA . 52790 1
444 . 1 . 1 62 62 ILE CB C 13 36.80666182 0.000402459601 . 1 . . . . . 62 ILE CB . 52790 1
445 . 1 . 1 62 62 ILE CD1 C 13 12.38117953 0.05132688825 . 1 . . . . . 62 ILE CD1 . 52790 1
446 . 1 . 1 62 62 ILE N N 15 116.0675731 0.1363584133 . 1 . . . . . 62 ILE N . 52790 1
447 . 1 . 1 63 63 TRP H H 1 8.708898098 0.01153280613 . 1 . . . . . 63 TRP H . 52790 1
448 . 1 . 1 63 63 TRP HE1 H 1 8.776015444 0.002197435368 . 1 . . . . . 63 TRP HE1 . 52790 1
449 . 1 . 1 63 63 TRP C C 13 181.0420709 . . 1 . . . . . 63 TRP C . 52790 1
450 . 1 . 1 63 63 TRP CA C 13 61.80307079 0.02027712999 . 1 . . . . . 63 TRP CA . 52790 1
451 . 1 . 1 63 63 TRP CB C 13 28.92705708 0.066404 . 1 . . . . . 63 TRP CB . 52790 1
452 . 1 . 1 63 63 TRP N N 15 121.3405225 0.05722655537 . 1 . . . . . 63 TRP N . 52790 1
453 . 1 . 1 63 63 TRP NE1 N 15 126.5065465 0.04435907673 . 1 . . . . . 63 TRP NE1 . 52790 1
454 . 1 . 1 64 64 VAL H H 1 9.192745395 0.01485443271 . 1 . . . . . 64 VAL H . 52790 1
455 . 1 . 1 64 64 VAL HG11 H 1 0.9244135697 0.009409155613 . 1 . . . . . 64 VAL HG1# . 52790 1
456 . 1 . 1 64 64 VAL HG12 H 1 0.9244135697 0.009409155613 . 1 . . . . . 64 VAL HG1# . 52790 1
457 . 1 . 1 64 64 VAL HG13 H 1 0.9244135697 0.009409155613 . 1 . . . . . 64 VAL HG1# . 52790 1
458 . 1 . 1 64 64 VAL HG21 H 1 1.167623417 0.01289733121 . 1 . . . . . 64 VAL HG2# . 52790 1
459 . 1 . 1 64 64 VAL HG22 H 1 1.167623417 0.01289733121 . 1 . . . . . 64 VAL HG2# . 52790 1
460 . 1 . 1 64 64 VAL HG23 H 1 1.167623417 0.01289733121 . 1 . . . . . 64 VAL HG2# . 52790 1
461 . 1 . 1 64 64 VAL C C 13 177.4124665 . . 1 . . . . . 64 VAL C . 52790 1
462 . 1 . 1 64 64 VAL CA C 13 64.90341057 0.0583782694 . 1 . . . . . 64 VAL CA . 52790 1
463 . 1 . 1 64 64 VAL CB C 13 31.39575668 0.0439833991 . 1 . . . . . 64 VAL CB . 52790 1
464 . 1 . 1 64 64 VAL CG1 C 13 22.01740991 0.06726870361 . 1 . . . . . 64 VAL CG1 . 52790 1
465 . 1 . 1 64 64 VAL CG2 C 13 22.20566712 0.05200981223 . 1 . . . . . 64 VAL CG2 . 52790 1
466 . 1 . 1 64 64 VAL N N 15 119.6207822 0.1201015052 . 1 . . . . . 64 VAL N . 52790 1
467 . 1 . 1 65 65 GLY H H 1 8.448292763 0.01302882973 . 1 . . . . . 65 GLY H . 52790 1
468 . 1 . 1 65 65 GLY C C 13 174.8009218 . . 1 . . . . . 65 GLY C . 52790 1
469 . 1 . 1 65 65 GLY CA C 13 47.03784351 0.01521308 . 1 . . . . . 65 GLY CA . 52790 1
470 . 1 . 1 65 65 GLY N N 15 109.5337112 0.1165024578 . 1 . . . . . 65 GLY N . 52790 1
471 . 1 . 1 66 66 VAL H H 1 8.582167081 0.01089484737 . 1 . . . . . 66 VAL H . 52790 1
472 . 1 . 1 66 66 VAL HG11 H 1 0.9022136607 0.00730340696 . 1 . . . . . 66 VAL HG1# . 52790 1
473 . 1 . 1 66 66 VAL HG12 H 1 0.9022136607 0.00730340696 . 1 . . . . . 66 VAL HG1# . 52790 1
474 . 1 . 1 66 66 VAL HG13 H 1 0.9022136607 0.00730340696 . 1 . . . . . 66 VAL HG1# . 52790 1
475 . 1 . 1 66 66 VAL HG21 H 1 1.045830683 0.006402082571 . 1 . . . . . 66 VAL HG2# . 52790 1
476 . 1 . 1 66 66 VAL HG22 H 1 1.045830683 0.006402082571 . 1 . . . . . 66 VAL HG2# . 52790 1
477 . 1 . 1 66 66 VAL HG23 H 1 1.045830683 0.006402082571 . 1 . . . . . 66 VAL HG2# . 52790 1
478 . 1 . 1 66 66 VAL C C 13 178.2534724 . . 1 . . . . . 66 VAL C . 52790 1
479 . 1 . 1 66 66 VAL CA C 13 65.97094351 0 . 1 . . . . . 66 VAL CA . 52790 1
480 . 1 . 1 66 66 VAL CB C 13 29.36661179 0.01789721222 . 1 . . . . . 66 VAL CB . 52790 1
481 . 1 . 1 66 66 VAL CG1 C 13 22.02137897 0.04127244794 . 1 . . . . . 66 VAL CG1 . 52790 1
482 . 1 . 1 66 66 VAL CG2 C 13 23.55668008 0.05424748003 . 1 . . . . . 66 VAL CG2 . 52790 1
483 . 1 . 1 66 66 VAL N N 15 118.215967 0.06370196443 . 1 . . . . . 66 VAL N . 52790 1
484 . 1 . 1 67 67 GLY H H 1 7.000580027 0.01055342543 . 1 . . . . . 67 GLY H . 52790 1
485 . 1 . 1 67 67 GLY C C 13 174.3140236 . . 1 . . . . . 67 GLY C . 52790 1
486 . 1 . 1 67 67 GLY CA C 13 47.06177984 0.03914941 . 1 . . . . . 67 GLY CA . 52790 1
487 . 1 . 1 67 67 GLY N N 15 105.8771031 0.06516870494 . 1 . . . . . 67 GLY N . 52790 1
488 . 1 . 1 68 68 ILE H H 1 8.757977511 0.01167198712 . 1 . . . . . 68 ILE H . 52790 1
489 . 1 . 1 68 68 ILE HD11 H 1 0.914060322 0.008035515306 . 1 . . . . . 68 ILE HD1# . 52790 1
490 . 1 . 1 68 68 ILE HD12 H 1 0.914060322 0.008035515306 . 1 . . . . . 68 ILE HD1# . 52790 1
491 . 1 . 1 68 68 ILE HD13 H 1 0.914060322 0.008035515306 . 1 . . . . . 68 ILE HD1# . 52790 1
492 . 1 . 1 68 68 ILE C C 13 179.0059514 . . 1 . . . . . 68 ILE C . 52790 1
493 . 1 . 1 68 68 ILE CA C 13 66.20583995 0 . 1 . . . . . 68 ILE CA . 52790 1
494 . 1 . 1 68 68 ILE CB C 13 37.62598141 . . 1 . . . . . 68 ILE CB . 52790 1
495 . 1 . 1 68 68 ILE CD1 C 13 13.04991653 0.06051290437 . 1 . . . . . 68 ILE CD1 . 52790 1
496 . 1 . 1 68 68 ILE N N 15 121.0434341 0.1083182782 . 1 . . . . . 68 ILE N . 52790 1
497 . 1 . 1 69 69 VAL H H 1 7.466145682 0.01830895149 . 1 . . . . . 69 VAL H . 52790 1
498 . 1 . 1 69 69 VAL HG11 H 1 0.871313982 0.009425267153 . 1 . . . . . 69 VAL HG1# . 52790 1
499 . 1 . 1 69 69 VAL HG12 H 1 0.871313982 0.009425267153 . 1 . . . . . 69 VAL HG1# . 52790 1
500 . 1 . 1 69 69 VAL HG13 H 1 0.871313982 0.009425267153 . 1 . . . . . 69 VAL HG1# . 52790 1
501 . 1 . 1 69 69 VAL HG21 H 1 1.097580714 0.00764051057 . 1 . . . . . 69 VAL HG2# . 52790 1
502 . 1 . 1 69 69 VAL HG22 H 1 1.097580714 0.00764051057 . 1 . . . . . 69 VAL HG2# . 52790 1
503 . 1 . 1 69 69 VAL HG23 H 1 1.097580714 0.00764051057 . 1 . . . . . 69 VAL HG2# . 52790 1
504 . 1 . 1 69 69 VAL C C 13 177.6780473 . . 1 . . . . . 69 VAL C . 52790 1
505 . 1 . 1 69 69 VAL CA C 13 66.87518102 0.02226063053 . 1 . . . . . 69 VAL CA . 52790 1
506 . 1 . 1 69 69 VAL CB C 13 30.94430613 0.0598991134 . 1 . . . . . 69 VAL CB . 52790 1
507 . 1 . 1 69 69 VAL CG1 C 13 20.43089457 0.05328047052 . 1 . . . . . 69 VAL CG1 . 52790 1
508 . 1 . 1 69 69 VAL CG2 C 13 21.9801336 0.05047168831 . 1 . . . . . 69 VAL CG2 . 52790 1
509 . 1 . 1 69 69 VAL N N 15 119.5648506 0.04756378203 . 1 . . . . . 69 VAL N . 52790 1
510 . 1 . 1 70 70 LEU H H 1 8.5751844 0.01516320039 . 1 . . . . . 70 LEU H . 52790 1
511 . 1 . 1 70 70 LEU HD11 H 1 0.7558844221 0.003925272459 . 1 . . . . . 70 LEU HD1# . 52790 1
512 . 1 . 1 70 70 LEU HD12 H 1 0.7558844221 0.003925272459 . 1 . . . . . 70 LEU HD1# . 52790 1
513 . 1 . 1 70 70 LEU HD13 H 1 0.7558844221 0.003925272459 . 1 . . . . . 70 LEU HD1# . 52790 1
514 . 1 . 1 70 70 LEU HD21 H 1 0.7637931487 0.004662596273 . 1 . . . . . 70 LEU HD2# . 52790 1
515 . 1 . 1 70 70 LEU HD22 H 1 0.7637931487 0.004662596273 . 1 . . . . . 70 LEU HD2# . 52790 1
516 . 1 . 1 70 70 LEU HD23 H 1 0.7637931487 0.004662596273 . 1 . . . . . 70 LEU HD2# . 52790 1
517 . 1 . 1 70 70 LEU C C 13 179.3600591 . . 1 . . . . . 70 LEU C . 52790 1
518 . 1 . 1 70 70 LEU CA C 13 57.75958505 0.06828176 . 1 . . . . . 70 LEU CA . 52790 1
519 . 1 . 1 70 70 LEU CB C 13 41.12815574 0.1061556509 . 1 . . . . . 70 LEU CB . 52790 1
520 . 1 . 1 70 70 LEU CD1 C 13 24.87915757 0.0359214931 . 1 . . . . . 70 LEU CD1 . 52790 1
521 . 1 . 1 70 70 LEU CD2 C 13 21.61959468 0.03715021908 . 1 . . . . . 70 LEU CD2 . 52790 1
522 . 1 . 1 70 70 LEU N N 15 118.0981376 0.09048096785 . 1 . . . . . 70 LEU N . 52790 1
523 . 1 . 1 71 71 ILE H H 1 9.032283445 0.01525950822 . 1 . . . . . 71 ILE H . 52790 1
524 . 1 . 1 71 71 ILE HD11 H 1 0.06212650264 0.007125500274 . 1 . . . . . 71 ILE HD1# . 52790 1
525 . 1 . 1 71 71 ILE HD12 H 1 0.06212650264 0.007125500274 . 1 . . . . . 71 ILE HD1# . 52790 1
526 . 1 . 1 71 71 ILE HD13 H 1 0.06212650264 0.007125500274 . 1 . . . . . 71 ILE HD1# . 52790 1
527 . 1 . 1 71 71 ILE C C 13 179.537113 . . 1 . . . . . 71 ILE C . 52790 1
528 . 1 . 1 71 71 ILE CA C 13 65.58128167 0.001832234976 . 1 . . . . . 71 ILE CA . 52790 1
529 . 1 . 1 71 71 ILE CB C 13 37.22539537 0.002162030103 . 1 . . . . . 71 ILE CB . 52790 1
530 . 1 . 1 71 71 ILE CD1 C 13 12.47238255 0.0469358157 . 1 . . . . . 71 ILE CD1 . 52790 1
531 . 1 . 1 71 71 ILE N N 15 119.7952539 0.1549561257 . 1 . . . . . 71 ILE N . 52790 1
532 . 1 . 1 72 72 SER H H 1 7.866004948 0.015209227 . 1 . . . . . 72 SER H . 52790 1
533 . 1 . 1 72 72 SER C C 13 176.5714606 . . 1 . . . . . 72 SER C . 52790 1
534 . 1 . 1 72 72 SER CA C 13 63.07388737 0 . 1 . . . . . 72 SER CA . 52790 1
535 . 1 . 1 72 72 SER CB C 13 62.06265436 0 . 1 . . . . . 72 SER CB . 52790 1
536 . 1 . 1 72 72 SER N N 15 118.4650638 0.06796984116 . 1 . . . . . 72 SER N . 52790 1
537 . 1 . 1 73 73 LEU H H 1 8.359620999 0.01280546755 . 1 . . . . . 73 LEU H . 52790 1
538 . 1 . 1 73 73 LEU HD11 H 1 0.8489189283 0.007163175624 . 1 . . . . . 73 LEU HD1# . 52790 1
539 . 1 . 1 73 73 LEU HD12 H 1 0.8489189283 0.007163175624 . 1 . . . . . 73 LEU HD1# . 52790 1
540 . 1 . 1 73 73 LEU HD13 H 1 0.8489189283 0.007163175624 . 1 . . . . . 73 LEU HD1# . 52790 1
541 . 1 . 1 73 73 LEU HD21 H 1 0.8470482521 0.006753219287 . 1 . . . . . 73 LEU HD2# . 52790 1
542 . 1 . 1 73 73 LEU HD22 H 1 0.8470482521 0.006753219287 . 1 . . . . . 73 LEU HD2# . 52790 1
543 . 1 . 1 73 73 LEU HD23 H 1 0.8470482521 0.006753219287 . 1 . . . . . 73 LEU HD2# . 52790 1
544 . 1 . 1 73 73 LEU C C 13 178.3862628 . . 1 . . . . . 73 LEU C . 52790 1
545 . 1 . 1 73 73 LEU CA C 13 58.14106207 . . 1 . . . . . 73 LEU CA . 52790 1
546 . 1 . 1 73 73 LEU CB C 13 41.497116 0.019702435 . 1 . . . . . 73 LEU CB . 52790 1
547 . 1 . 1 73 73 LEU CD1 C 13 24.49816198 0.06691342694 . 1 . . . . . 73 LEU CD1 . 52790 1
548 . 1 . 1 73 73 LEU CD2 C 13 23.17811398 0.03469420504 . 1 . . . . . 73 LEU CD2 . 52790 1
549 . 1 . 1 73 73 LEU N N 15 123.9118784 0.04360016438 . 1 . . . . . 73 LEU N . 52790 1
550 . 1 . 1 74 74 LEU H H 1 8.637144741 0.01025226924 . 1 . . . . . 74 LEU H . 52790 1
551 . 1 . 1 74 74 LEU HD11 H 1 0.7298198896 0.008034698912 . 1 . . . . . 74 LEU HD1# . 52790 1
552 . 1 . 1 74 74 LEU HD12 H 1 0.7298198896 0.008034698912 . 1 . . . . . 74 LEU HD1# . 52790 1
553 . 1 . 1 74 74 LEU HD13 H 1 0.7298198896 0.008034698912 . 1 . . . . . 74 LEU HD1# . 52790 1
554 . 1 . 1 74 74 LEU HD21 H 1 0.7570104222 0.009349561878 . 1 . . . . . 74 LEU HD2# . 52790 1
555 . 1 . 1 74 74 LEU HD22 H 1 0.7570104222 0.009349561878 . 1 . . . . . 74 LEU HD2# . 52790 1
556 . 1 . 1 74 74 LEU HD23 H 1 0.7570104222 0.009349561878 . 1 . . . . . 74 LEU HD2# . 52790 1
557 . 1 . 1 74 74 LEU C C 13 179.0944783 . . 1 . . . . . 74 LEU C . 52790 1
558 . 1 . 1 74 74 LEU CA C 13 58.01867671 0.03421227 . 1 . . . . . 74 LEU CA . 52790 1
559 . 1 . 1 74 74 LEU CB C 13 40.33114145 0.1575858667 . 1 . . . . . 74 LEU CB . 52790 1
560 . 1 . 1 74 74 LEU CD1 C 13 24.2549602 0.06407464832 . 1 . . . . . 74 LEU CD1 . 52790 1
561 . 1 . 1 74 74 LEU CD2 C 13 23.2541273 0.04906041757 . 1 . . . . . 74 LEU CD2 . 52790 1
562 . 1 . 1 74 74 LEU N N 15 119.1697955 0.03053430909 . 1 . . . . . 74 LEU N . 52790 1
563 . 1 . 1 75 75 SER H H 1 8.24404622 0.01156219448 . 1 . . . . . 75 SER H . 52790 1
564 . 1 . 1 75 75 SER C C 13 176.7927779 . . 1 . . . . . 75 SER C . 52790 1
565 . 1 . 1 75 75 SER CA C 13 62.73492243 0.025769695 . 1 . . . . . 75 SER CA . 52790 1
566 . 1 . 1 75 75 SER N N 15 115.223981 0.07776906227 . 1 . . . . . 75 SER N . 52790 1
567 . 1 . 1 76 76 TRP H H 1 7.785385473 0.01855444218 . 1 . . . . . 76 TRP H . 52790 1
568 . 1 . 1 76 76 TRP HE1 H 1 10.43801227 0.009402297009 . 1 . . . . . 76 TRP HE1 . 52790 1
569 . 1 . 1 76 76 TRP C C 13 177.7223108 . . 1 . . . . . 76 TRP C . 52790 1
570 . 1 . 1 76 76 TRP CA C 13 59.20962545 0.01627153501 . 1 . . . . . 76 TRP CA . 52790 1
571 . 1 . 1 76 76 TRP CB C 13 28.02366746 0.0006960350201 . 1 . . . . . 76 TRP CB . 52790 1
572 . 1 . 1 76 76 TRP N N 15 125.0546636 0.1219868995 . 1 . . . . . 76 TRP N . 52790 1
573 . 1 . 1 76 76 TRP NE1 N 15 130.8177722 0.06244376461 . 1 . . . . . 76 TRP NE1 . 52790 1
574 . 1 . 1 77 77 GLY H H 1 8.205987411 0.03335568678 . 1 . . . . . 77 GLY H . 52790 1
575 . 1 . 1 77 77 GLY C C 13 173.7385985 . . 1 . . . . . 77 GLY C . 52790 1
576 . 1 . 1 77 77 GLY CA C 13 47.03058709 0.007348759987 . 1 . . . . . 77 GLY CA . 52790 1
577 . 1 . 1 77 77 GLY N N 15 103.9436572 0.04265504199 . 1 . . . . . 77 GLY N . 52790 1
578 . 1 . 1 78 78 PHE H H 1 8.471723229 0.009373580408 . 1 . . . . . 78 PHE H . 52790 1
579 . 1 . 1 78 78 PHE C C 13 176.615724 . . 1 . . . . . 78 PHE C . 52790 1
580 . 1 . 1 78 78 PHE CA C 13 58.55811519 0.02555905001 . 1 . . . . . 78 PHE CA . 52790 1
581 . 1 . 1 78 78 PHE CB C 13 38.12080757 . . 1 . . . . . 78 PHE CB . 52790 1
582 . 1 . 1 78 78 PHE N N 15 114.4540865 0.067936398 . 1 . . . . . 78 PHE N . 52790 1
583 . 1 . 1 79 79 PHE H H 1 6.827580843 0.01591976913 . 1 . . . . . 79 PHE H . 52790 1
584 . 1 . 1 79 79 PHE C C 13 176.5714606 . . 1 . . . . . 79 PHE C . 52790 1
585 . 1 . 1 79 79 PHE CA C 13 55.24400594 0 . 1 . . . . . 79 PHE CA . 52790 1
586 . 1 . 1 79 79 PHE CB C 13 38.88765747 0.066404005 . 1 . . . . . 79 PHE CB . 52790 1
587 . 1 . 1 79 79 PHE N N 15 112.3306324 0.06044034772 . 1 . . . . . 79 PHE N . 52790 1
588 . 1 . 1 80 80 GLY H H 1 7.469945832 0.007115808773 . 1 . . . . . 80 GLY H . 52790 1
589 . 1 . 1 80 80 GLY C C 13 175.0665026 . . 1 . . . . . 80 GLY C . 52790 1
590 . 1 . 1 80 80 GLY CA C 13 46.39623992 0 . 1 . . . . . 80 GLY CA . 52790 1
591 . 1 . 1 80 80 GLY N N 15 108.8335676 0.05646704637 . 1 . . . . . 80 GLY N . 52790 1
592 . 1 . 1 81 81 GLN H H 1 7.693427868 0.0551673095 . 1 . . . . . 81 GLN H . 52790 1
593 . 1 . 1 81 81 GLN C C 13 174.1369698 . . 1 . . . . . 81 GLN C . 52790 1
594 . 1 . 1 81 81 GLN CA C 13 55.24400594 . . 1 . . . . . 81 GLN CA . 52790 1
595 . 1 . 1 81 81 GLN CB C 13 25.40764494 0 . 1 . . . . . 81 GLN CB . 52790 1
596 . 1 . 1 81 81 GLN N N 15 119.5564504 0.0599696019 . 1 . . . . . 81 GLN N . 52790 1
597 . 1 . 1 82 82 ARG H H 1 7.757339192 0.01033884104 . 1 . . . . . 82 ARG H . 52790 1
598 . 1 . 1 82 82 ARG C C 13 175.2435565 . . 1 . . . . . 82 ARG C . 52790 1
599 . 1 . 1 82 82 ARG CA C 13 55.36615919 0.03265055631 . 1 . . . . . 82 ARG CA . 52790 1
600 . 1 . 1 82 82 ARG CB C 13 29.80169309 0.009417788049 . 1 . . . . . 82 ARG CB . 52790 1
601 . 1 . 1 82 82 ARG N N 15 125.8241213 0.09398057412 . 1 . . . . . 82 ARG N . 52790 1
602 . 1 . 1 83 83 LEU H H 1 6.475173084 0.05495496083 . 1 . . . . . 83 LEU H . 52790 1
603 . 1 . 1 83 83 LEU HD11 H 1 0.8986351284 0.006396963283 . 1 . . . . . 83 LEU HD1# . 52790 1
604 . 1 . 1 83 83 LEU HD12 H 1 0.8986351284 0.006396963283 . 1 . . . . . 83 LEU HD1# . 52790 1
605 . 1 . 1 83 83 LEU HD13 H 1 0.8986351284 0.006396963283 . 1 . . . . . 83 LEU HD1# . 52790 1
606 . 1 . 1 83 83 LEU HD21 H 1 0.7884482029 0.005070265521 . 1 . . . . . 83 LEU HD2# . 52790 1
607 . 1 . 1 83 83 LEU HD22 H 1 0.7884482029 0.005070265521 . 1 . . . . . 83 LEU HD2# . 52790 1
608 . 1 . 1 83 83 LEU HD23 H 1 0.7884482029 0.005070265521 . 1 . . . . . 83 LEU HD2# . 52790 1
609 . 1 . 1 83 83 LEU C C 13 174.8451853 . . 1 . . . . . 83 LEU C . 52790 1
610 . 1 . 1 83 83 LEU CA C 13 52.81254056 0.005942730194 . 1 . . . . . 83 LEU CA . 52790 1
611 . 1 . 1 83 83 LEU CB C 13 43.03082522 0.05713827602 . 1 . . . . . 83 LEU CB . 52790 1
612 . 1 . 1 83 83 LEU CD1 C 13 25.24667201 0.06398119185 . 1 . . . . . 83 LEU CD1 . 52790 1
613 . 1 . 1 83 83 LEU CD2 C 13 21.37230645 0.06539980721 . 1 . . . . . 83 LEU CD2 . 52790 1
614 . 1 . 1 83 83 LEU N N 15 122.7643727 0.08840528267 . 1 . . . . . 83 LEU N . 52790 1
615 . 1 . 1 84 84 ASP H H 1 7.480774144 0.02524611477 . 1 . . . . . 84 ASP H . 52790 1
616 . 1 . 1 84 84 ASP C C 13 175.4495136 . . 1 . . . . . 84 ASP C . 52790 1
617 . 1 . 1 84 84 ASP CA C 13 51.01586997 0 . 1 . . . . . 84 ASP CA . 52790 1
618 . 1 . 1 84 84 ASP CB C 13 41.07898955 0 . 1 . . . . . 84 ASP CB . 52790 1
619 . 1 . 1 84 84 ASP N N 15 119.0568892 0.06187187652 . 1 . . . . . 84 ASP N . 52790 1
620 . 1 . 1 85 85 LEU H H 1 8.737272417 0.02059102099 . 1 . . . . . 85 LEU H . 52790 1
621 . 1 . 1 85 85 LEU HD11 H 1 0.9748977201 0.006574679735 . 1 . . . . . 85 LEU HD1# . 52790 1
622 . 1 . 1 85 85 LEU HD12 H 1 0.9748977201 0.006574679735 . 1 . . . . . 85 LEU HD1# . 52790 1
623 . 1 . 1 85 85 LEU HD13 H 1 0.9748977201 0.006574679735 . 1 . . . . . 85 LEU HD1# . 52790 1
624 . 1 . 1 85 85 LEU HD21 H 1 0.9384288951 0.006583624008 . 1 . . . . . 85 LEU HD2# . 52790 1
625 . 1 . 1 85 85 LEU HD22 H 1 0.9384288951 0.006583624008 . 1 . . . . . 85 LEU HD2# . 52790 1
626 . 1 . 1 85 85 LEU HD23 H 1 0.9384288951 0.006583624008 . 1 . . . . . 85 LEU HD2# . 52790 1
627 . 1 . 1 85 85 LEU CA C 13 59.31554429 . . 1 . . . . . 85 LEU CA . 52790 1
628 . 1 . 1 85 85 LEU CB C 13 37.98693527 0.1344340604 . 1 . . . . . 85 LEU CB . 52790 1
629 . 1 . 1 85 85 LEU CD1 C 13 23.25752733 0.03580349935 . 1 . . . . . 85 LEU CD1 . 52790 1
630 . 1 . 1 85 85 LEU CD2 C 13 24.1829408 0.02158230832 . 1 . . . . . 85 LEU CD2 . 52790 1
631 . 1 . 1 85 85 LEU N N 15 118.5746462 0.08635825714 . 1 . . . . . 85 LEU N . 52790 1
632 . 1 . 1 86 86 PRO C C 13 177.6207651 . . 1 . . . . . 86 PRO C . 52790 1
633 . 1 . 1 86 86 PRO CA C 13 66.28413876 . . 1 . . . . . 86 PRO CA . 52790 1
634 . 1 . 1 86 86 PRO CB C 13 30.45434914 . . 1 . . . . . 86 PRO CB . 52790 1
635 . 1 . 1 87 87 ALA H H 1 7.542439865 0.006868493248 . 1 . . . . . 87 ALA H . 52790 1
636 . 1 . 1 87 87 ALA HB1 H 1 1.717470839 0.007415714455 . 1 . . . . . 87 ALA HB# . 52790 1
637 . 1 . 1 87 87 ALA HB2 H 1 1.717470839 0.007415714455 . 1 . . . . . 87 ALA HB# . 52790 1
638 . 1 . 1 87 87 ALA HB3 H 1 1.717470839 0.007415714455 . 1 . . . . . 87 ALA HB# . 52790 1
639 . 1 . 1 87 87 ALA C C 13 179.1387418 . . 1 . . . . . 87 ALA C . 52790 1
640 . 1 . 1 87 87 ALA CA C 13 55.32230475 0 . 1 . . . . . 87 ALA CA . 52790 1
641 . 1 . 1 87 87 ALA CB C 13 17.87540953 0.04983540166 . 1 . . . . . 87 ALA CB . 52790 1
642 . 1 . 1 87 87 ALA N N 15 117.4312689 0.09341467743 . 1 . . . . . 87 ALA N . 52790 1
643 . 1 . 1 88 88 ILE H H 1 8.251061872 0.01151442777 . 1 . . . . . 88 ILE H . 52790 1
644 . 1 . 1 88 88 ILE HD11 H 1 0.7814403185 0.007197815939 . 1 . . . . . 88 ILE HD1# . 52790 1
645 . 1 . 1 88 88 ILE HD12 H 1 0.7814403185 0.007197815939 . 1 . . . . . 88 ILE HD1# . 52790 1
646 . 1 . 1 88 88 ILE HD13 H 1 0.7814403185 0.007197815939 . 1 . . . . . 88 ILE HD1# . 52790 1
647 . 1 . 1 88 88 ILE C C 13 178.2534724 . . 1 . . . . . 88 ILE C . 52790 1
648 . 1 . 1 88 88 ILE CA C 13 65.34455299 0 . 1 . . . . . 88 ILE CA . 52790 1
649 . 1 . 1 88 88 ILE CB C 13 37.26899774 0.04144034 . 1 . . . . . 88 ILE CB . 52790 1
650 . 1 . 1 88 88 ILE CD1 C 13 12.44760668 0.02816156863 . 1 . . . . . 88 ILE CD1 . 52790 1
651 . 1 . 1 88 88 ILE N N 15 118.2822155 0.06864361555 . 1 . . . . . 88 ILE N . 52790 1
652 . 1 . 1 89 89 ILE H H 1 8.772903383 0.01455731099 . 1 . . . . . 89 ILE H . 52790 1
653 . 1 . 1 89 89 ILE HD11 H 1 0.729706215 0.007663702123 . 1 . . . . . 89 ILE HD1# . 52790 1
654 . 1 . 1 89 89 ILE HD12 H 1 0.729706215 0.007663702123 . 1 . . . . . 89 ILE HD1# . 52790 1
655 . 1 . 1 89 89 ILE HD13 H 1 0.729706215 0.007663702123 . 1 . . . . . 89 ILE HD1# . 52790 1
656 . 1 . 1 89 89 ILE C C 13 178.3862628 . . 1 . . . . . 89 ILE C . 52790 1
657 . 1 . 1 89 89 ILE CA C 13 64.32852564 0.001857234883 . 1 . . . . . 89 ILE CA . 52790 1
658 . 1 . 1 89 89 ILE CB C 13 36.09868936 0.066404005 . 1 . . . . . 89 ILE CB . 52790 1
659 . 1 . 1 89 89 ILE CD1 C 13 11.49208626 0.02502174072 . 1 . . . . . 89 ILE CD1 . 52790 1
660 . 1 . 1 89 89 ILE N N 15 119.2984665 0.1630776889 . 1 . . . . . 89 ILE N . 52790 1
661 . 1 . 1 90 90 GLY H H 1 8.836193697 0.004243419281 . 1 . . . . . 90 GLY H . 52790 1
662 . 1 . 1 90 90 GLY C C 13 175.6861912 . . 1 . . . . . 90 GLY C . 52790 1
663 . 1 . 1 90 90 GLY CA C 13 47.57866085 0.007938720003 . 1 . . . . . 90 GLY CA . 52790 1
664 . 1 . 1 90 90 GLY N N 15 107.4616383 0.04436883315 . 1 . . . . . 90 GLY N . 52790 1
665 . 1 . 1 91 91 MET H H 1 8.628004915 0.006183119763 . 1 . . . . . 91 MET H . 52790 1
666 . 1 . 1 91 91 MET C C 13 178.4305263 . . 1 . . . . . 91 MET C . 52790 1
667 . 1 . 1 91 91 MET CA C 13 59.6229647 0.072523965 . 1 . . . . . 91 MET CA . 52790 1
668 . 1 . 1 91 91 MET CB C 13 32.76706234 0.05497712 . 1 . . . . . 91 MET CB . 52790 1
669 . 1 . 1 91 91 MET N N 15 120.6579411 0.07659188151 . 1 . . . . . 91 MET N . 52790 1
670 . 1 . 1 92 92 MET H H 1 8.576782767 0.006436072888 . 1 . . . . . 92 MET H . 52790 1
671 . 1 . 1 92 92 MET C C 13 178.2092089 . . 1 . . . . . 92 MET C . 52790 1
672 . 1 . 1 92 92 MET CA C 13 59.18038305 0.00426044995 . 1 . . . . . 92 MET CA . 52790 1
673 . 1 . 1 92 92 MET CB C 13 31.66876115 0.019139975 . 1 . . . . . 92 MET CB . 52790 1
674 . 1 . 1 92 92 MET N N 15 120.0587443 0.1303667019 . 1 . . . . . 92 MET N . 52790 1
675 . 1 . 1 93 93 LEU H H 1 8.254411783 0.01016024399 . 1 . . . . . 93 LEU H . 52790 1
676 . 1 . 1 93 93 LEU HD11 H 1 0.7414771766 0.005335523247 . 1 . . . . . 93 LEU HD1# . 52790 1
677 . 1 . 1 93 93 LEU HD12 H 1 0.7414771766 0.005335523247 . 1 . . . . . 93 LEU HD1# . 52790 1
678 . 1 . 1 93 93 LEU HD13 H 1 0.7414771766 0.005335523247 . 1 . . . . . 93 LEU HD1# . 52790 1
679 . 1 . 1 93 93 LEU HD21 H 1 0.7505275199 0.007649515631 . 1 . . . . . 93 LEU HD2# . 52790 1
680 . 1 . 1 93 93 LEU HD22 H 1 0.7505275199 0.007649515631 . 1 . . . . . 93 LEU HD2# . 52790 1
681 . 1 . 1 93 93 LEU HD23 H 1 0.7505275199 0.007649515631 . 1 . . . . . 93 LEU HD2# . 52790 1
682 . 1 . 1 93 93 LEU C C 13 178.7403705 . . 1 . . . . . 93 LEU C . 52790 1
683 . 1 . 1 93 93 LEU CA C 13 58.32554191 . . 1 . . . . . 93 LEU CA . 52790 1
684 . 1 . 1 93 93 LEU CB C 13 39.41859943 0.02110157539 . 1 . . . . . 93 LEU CB . 52790 1
685 . 1 . 1 93 93 LEU CD1 C 13 25.27083411 0.07651508115 . 1 . . . . . 93 LEU CD1 . 52790 1
686 . 1 . 1 93 93 LEU CD2 C 13 22.27469728 0.03413565909 . 1 . . . . . 93 LEU CD2 . 52790 1
687 . 1 . 1 93 93 LEU N N 15 120.4573546 0.04237260333 . 1 . . . . . 93 LEU N . 52790 1
688 . 1 . 1 94 94 ILE H H 1 7.956213287 0.006598821253 . 1 . . . . . 94 ILE H . 52790 1
689 . 1 . 1 94 94 ILE HD11 H 1 0.6981371531 0.006372546518 . 1 . . . . . 94 ILE HD1# . 52790 1
690 . 1 . 1 94 94 ILE HD12 H 1 0.6981371531 0.006372546518 . 1 . . . . . 94 ILE HD1# . 52790 1
691 . 1 . 1 94 94 ILE HD13 H 1 0.6981371531 0.006372546518 . 1 . . . . . 94 ILE HD1# . 52790 1
692 . 1 . 1 94 94 ILE C C 13 177.7223108 . . 1 . . . . . 94 ILE C . 52790 1
693 . 1 . 1 94 94 ILE CA C 13 65.47724999 0.04108819236 . 1 . . . . . 94 ILE CA . 52790 1
694 . 1 . 1 94 94 ILE CB C 13 37.51267514 0.033913135 . 1 . . . . . 94 ILE CB . 52790 1
695 . 1 . 1 94 94 ILE CD1 C 13 13.68620676 0.04439841678 . 1 . . . . . 94 ILE CD1 . 52790 1
696 . 1 . 1 94 94 ILE N N 15 118.5836548 0.05063432172 . 1 . . . . . 94 ILE N . 52790 1
697 . 1 . 1 95 95 CYS H H 1 8.424247115 0.00383491213 . 1 . . . . . 95 CYS H . 52790 1
698 . 1 . 1 95 95 CYS C C 13 176.5271971 . . 1 . . . . . 95 CYS C . 52790 1
699 . 1 . 1 95 95 CYS CA C 13 64.42457504 0.01960781998 . 1 . . . . . 95 CYS CA . 52790 1
700 . 1 . 1 95 95 CYS CB C 13 26.22839105 . . 1 . . . . . 95 CYS CB . 52790 1
701 . 1 . 1 95 95 CYS N N 15 116.8423231 0.07142980401 . 1 . . . . . 95 CYS N . 52790 1
702 . 1 . 1 96 96 ALA H H 1 8.800449208 0.009412960003 . 1 . . . . . 96 ALA H . 52790 1
703 . 1 . 1 96 96 ALA HB1 H 1 1.409139859 0.006446957056 . 1 . . . . . 96 ALA HB# . 52790 1
704 . 1 . 1 96 96 ALA HB2 H 1 1.409139859 0.006446957056 . 1 . . . . . 96 ALA HB# . 52790 1
705 . 1 . 1 96 96 ALA HB3 H 1 1.409139859 0.006446957056 . 1 . . . . . 96 ALA HB# . 52790 1
706 . 1 . 1 96 96 ALA C C 13 179.0059514 . . 1 . . . . . 96 ALA C . 52790 1
707 . 1 . 1 96 96 ALA CA C 13 54.93081068 0 . 1 . . . . . 96 ALA CA . 52790 1
708 . 1 . 1 96 96 ALA CB C 13 17.0706903 0.06749736827 . 1 . . . . . 96 ALA CB . 52790 1
709 . 1 . 1 96 96 ALA N N 15 120.0761775 0.05096995557 . 1 . . . . . 96 ALA N . 52790 1
710 . 1 . 1 97 97 GLY H H 1 8.540379717 0.007506637645 . 1 . . . . . 97 GLY H . 52790 1
711 . 1 . 1 97 97 GLY C C 13 175.1107661 . . 1 . . . . . 97 GLY C . 52790 1
712 . 1 . 1 97 97 GLY CA C 13 48.39285969 0.03914940499 . 1 . . . . . 97 GLY CA . 52790 1
713 . 1 . 1 97 97 GLY N N 15 105.670914 0.07246419065 . 1 . . . . . 97 GLY N . 52790 1
714 . 1 . 1 98 98 VAL H H 1 8.331466517 0.01376440142 . 1 . . . . . 98 VAL H . 52790 1
715 . 1 . 1 98 98 VAL HG11 H 1 0.9149146296 0.01072786587 . 1 . . . . . 98 VAL HG1# . 52790 1
716 . 1 . 1 98 98 VAL HG12 H 1 0.9149146296 0.01072786587 . 1 . . . . . 98 VAL HG1# . 52790 1
717 . 1 . 1 98 98 VAL HG13 H 1 0.9149146296 0.01072786587 . 1 . . . . . 98 VAL HG1# . 52790 1
718 . 1 . 1 98 98 VAL HG21 H 1 1.061055507 0.007447761831 . 1 . . . . . 98 VAL HG2# . 52790 1
719 . 1 . 1 98 98 VAL HG22 H 1 1.061055507 0.007447761831 . 1 . . . . . 98 VAL HG2# . 52790 1
720 . 1 . 1 98 98 VAL HG23 H 1 1.061055507 0.007447761831 . 1 . . . . . 98 VAL HG2# . 52790 1
721 . 1 . 1 98 98 VAL C C 13 178.5633167 . . 1 . . . . . 98 VAL C . 52790 1
722 . 1 . 1 98 98 VAL CA C 13 66.76595281 0.05864788395 . 1 . . . . . 98 VAL CA . 52790 1
723 . 1 . 1 98 98 VAL CB C 13 30.74591399 0.03595063958 . 1 . . . . . 98 VAL CB . 52790 1
724 . 1 . 1 98 98 VAL CG1 C 13 20.49424165 0.03745727201 . 1 . . . . . 98 VAL CG1 . 52790 1
725 . 1 . 1 98 98 VAL CG2 C 13 22.05670767 0.06353237856 . 1 . . . . . 98 VAL CG2 . 52790 1
726 . 1 . 1 98 98 VAL N N 15 120.6396629 0.06002282926 . 1 . . . . . 98 VAL N . 52790 1
727 . 1 . 1 99 99 LEU H H 1 8.117857523 0.01305113617 . 1 . . . . . 99 LEU H . 52790 1
728 . 1 . 1 99 99 LEU HD11 H 1 0.8561692869 0.005408822937 . 1 . . . . . 99 LEU HD1# . 52790 1
729 . 1 . 1 99 99 LEU HD12 H 1 0.8561692869 0.005408822937 . 1 . . . . . 99 LEU HD1# . 52790 1
730 . 1 . 1 99 99 LEU HD13 H 1 0.8561692869 0.005408822937 . 1 . . . . . 99 LEU HD1# . 52790 1
731 . 1 . 1 99 99 LEU HD21 H 1 0.8299635985 0.005184945713 . 1 . . . . . 99 LEU HD2# . 52790 1
732 . 1 . 1 99 99 LEU HD22 H 1 0.8299635985 0.005184945713 . 1 . . . . . 99 LEU HD2# . 52790 1
733 . 1 . 1 99 99 LEU HD23 H 1 0.8299635985 0.005184945713 . 1 . . . . . 99 LEU HD2# . 52790 1
734 . 1 . 1 99 99 LEU C C 13 178.187979 . . 1 . . . . . 99 LEU C . 52790 1
735 . 1 . 1 99 99 LEU CA C 13 58.55073549 0.06011947 . 1 . . . . . 99 LEU CA . 52790 1
736 . 1 . 1 99 99 LEU CB C 13 40.63658074 0.023200775 . 1 . . . . . 99 LEU CB . 52790 1
737 . 1 . 1 99 99 LEU CD1 C 13 24.1861785 0.05228926786 . 1 . . . . . 99 LEU CD1 . 52790 1
738 . 1 . 1 99 99 LEU CD2 C 13 23.33761938 0.03743686585 . 1 . . . . . 99 LEU CD2 . 52790 1
739 . 1 . 1 99 99 LEU N N 15 120.5079421 0.06052256344 . 1 . . . . . 99 LEU N . 52790 1
740 . 1 . 1 100 100 ILE H H 1 8.437699666 0.008400108015 . 1 . . . . . 100 ILE H . 52790 1
741 . 1 . 1 100 100 ILE HD11 H 1 0.7015833318 0.007238443736 . 1 . . . . . 100 ILE HD1# . 52790 1
742 . 1 . 1 100 100 ILE HD12 H 1 0.7015833318 0.007238443736 . 1 . . . . . 100 ILE HD1# . 52790 1
743 . 1 . 1 100 100 ILE HD13 H 1 0.7015833318 0.007238443736 . 1 . . . . . 100 ILE HD1# . 52790 1
744 . 1 . 1 100 100 ILE C C 13 177.6780473 . . 1 . . . . . 100 ILE C . 52790 1
745 . 1 . 1 100 100 ILE CA C 13 65.82132712 . . 1 . . . . . 100 ILE CA . 52790 1
746 . 1 . 1 100 100 ILE CB C 13 37.61074193 . . 1 . . . . . 100 ILE CB . 52790 1
747 . 1 . 1 100 100 ILE CD1 C 13 13.0624425 0.02448712127 . 1 . . . . . 100 ILE CD1 . 52790 1
748 . 1 . 1 100 100 ILE N N 15 119.2941738 0.1583722351 . 1 . . . . . 100 ILE N . 52790 1
749 . 1 . 1 101 101 ILE H H 1 8.020861122 0.01163921819 . 1 . . . . . 101 ILE H . 52790 1
750 . 1 . 1 101 101 ILE HD11 H 1 0.728960529 0.007899847522 . 1 . . . . . 101 ILE HD1# . 52790 1
751 . 1 . 1 101 101 ILE HD12 H 1 0.728960529 0.007899847522 . 1 . . . . . 101 ILE HD1# . 52790 1
752 . 1 . 1 101 101 ILE HD13 H 1 0.728960529 0.007899847522 . 1 . . . . . 101 ILE HD1# . 52790 1
753 . 1 . 1 101 101 ILE C C 13 176.704251 . . 1 . . . . . 101 ILE C . 52790 1
754 . 1 . 1 101 101 ILE CA C 13 65.61734063 0.03789120001 . 1 . . . . . 101 ILE CA . 52790 1
755 . 1 . 1 101 101 ILE CB C 13 38.09080943 0.066404 . 1 . . . . . 101 ILE CB . 52790 1
756 . 1 . 1 101 101 ILE CD1 C 13 13.34872679 0.06605402807 . 1 . . . . . 101 ILE CD1 . 52790 1
757 . 1 . 1 101 101 ILE N N 15 117.7441889 0.189951518 . 1 . . . . . 101 ILE N . 52790 1
758 . 1 . 1 102 102 ASN H H 1 7.44065875 0.008245898174 . 1 . . . . . 102 ASN H . 52790 1
759 . 1 . 1 102 102 ASN C C 13 175.8632451 . . 1 . . . . . 102 ASN C . 52790 1
760 . 1 . 1 102 102 ASN CA C 13 56.34018934 . . 1 . . . . . 102 ASN CA . 52790 1
761 . 1 . 1 102 102 ASN CB C 13 39.90763193 0.02391443 . 1 . . . . . 102 ASN CB . 52790 1
762 . 1 . 1 102 102 ASN N N 15 114.23103 0.081417987 . 1 . . . . . 102 ASN N . 52790 1
763 . 1 . 1 103 103 LEU H H 1 8.352400378 0.01556318202 . 1 . . . . . 103 LEU H . 52790 1
764 . 1 . 1 103 103 LEU HD11 H 1 0.846929985 0.008197514641 . 1 . . . . . 103 LEU HD1# . 52790 1
765 . 1 . 1 103 103 LEU HD12 H 1 0.846929985 0.008197514641 . 1 . . . . . 103 LEU HD1# . 52790 1
766 . 1 . 1 103 103 LEU HD13 H 1 0.846929985 0.008197514641 . 1 . . . . . 103 LEU HD1# . 52790 1
767 . 1 . 1 103 103 LEU HD21 H 1 0.8288472805 0.007730541022 . 1 . . . . . 103 LEU HD2# . 52790 1
768 . 1 . 1 103 103 LEU HD22 H 1 0.8288472805 0.007730541022 . 1 . . . . . 103 LEU HD2# . 52790 1
769 . 1 . 1 103 103 LEU HD23 H 1 0.8288472805 0.007730541022 . 1 . . . . . 103 LEU HD2# . 52790 1
770 . 1 . 1 103 103 LEU C C 13 177.5452569 . . 1 . . . . . 103 LEU C . 52790 1
771 . 1 . 1 103 103 LEU CA C 13 56.06614349 0.03914941 . 1 . . . . . 103 LEU CA . 52790 1
772 . 1 . 1 103 103 LEU CB C 13 41.74302957 . . 1 . . . . . 103 LEU CB . 52790 1
773 . 1 . 1 103 103 LEU CD1 C 13 24.80077826 0.0421806 . 1 . . . . . 103 LEU CD1 . 52790 1
774 . 1 . 1 103 103 LEU CD2 C 13 23.30643547 0.03711800094 . 1 . . . . . 103 LEU CD2 . 52790 1
775 . 1 . 1 103 103 LEU N N 15 115.4005485 0.07445202829 . 1 . . . . . 103 LEU N . 52790 1
776 . 1 . 1 104 104 LEU H H 1 7.64784078 0.00998367401 . 1 . . . . . 104 LEU H . 52790 1
777 . 1 . 1 104 104 LEU HD11 H 1 0.9065839807 0.008125436558 . 1 . . . . . 104 LEU HD1# . 52790 1
778 . 1 . 1 104 104 LEU HD12 H 1 0.9065839807 0.008125436558 . 1 . . . . . 104 LEU HD1# . 52790 1
779 . 1 . 1 104 104 LEU HD13 H 1 0.9065839807 0.008125436558 . 1 . . . . . 104 LEU HD1# . 52790 1
780 . 1 . 1 104 104 LEU HD21 H 1 0.8801874202 0.003000192203 . 1 . . . . . 104 LEU HD2# . 52790 1
781 . 1 . 1 104 104 LEU HD22 H 1 0.8801874202 0.003000192203 . 1 . . . . . 104 LEU HD2# . 52790 1
782 . 1 . 1 104 104 LEU HD23 H 1 0.8801874202 0.003000192203 . 1 . . . . . 104 LEU HD2# . 52790 1
783 . 1 . 1 104 104 LEU C C 13 176.6599875 . . 1 . . . . . 104 LEU C . 52790 1
784 . 1 . 1 104 104 LEU CA C 13 54.38271898 0 . 1 . . . . . 104 LEU CA . 52790 1
785 . 1 . 1 104 104 LEU CB C 13 42.4734736 0.066404 . 1 . . . . . 104 LEU CB . 52790 1
786 . 1 . 1 104 104 LEU CD1 C 13 25.07311019 0.09450508198 . 1 . . . . . 104 LEU CD1 . 52790 1
787 . 1 . 1 104 104 LEU CD2 C 13 22.31273274 0.05282866447 . 1 . . . . . 104 LEU CD2 . 52790 1
788 . 1 . 1 104 104 LEU N N 15 114.7039747 0.1093314158 . 1 . . . . . 104 LEU N . 52790 1
789 . 1 . 1 105 105 SER H H 1 7.104344471 0.04129954349 . 1 . . . . . 105 SER H . 52790 1
790 . 1 . 1 105 105 SER C C 13 175.28782 . . 1 . . . . . 105 SER C . 52790 1
791 . 1 . 1 105 105 SER CA C 13 57.71041859 0.03914941 . 1 . . . . . 105 SER CA . 52790 1
792 . 1 . 1 105 105 SER CB C 13 63.39073441 0 . 1 . . . . . 105 SER CB . 52790 1
793 . 1 . 1 105 105 SER N N 15 112.6831303 0.1025408384 . 1 . . . . . 105 SER N . 52790 1
794 . 1 . 1 106 106 ARG H H 1 9.296303393 0.0481090894 . 1 . . . . . 106 ARG H . 52790 1
795 . 1 . 1 106 106 ARG C C 13 176.4386702 . . 1 . . . . . 106 ARG C . 52790 1
796 . 1 . 1 106 106 ARG CA C 13 55.31283698 0.0132343593 . 1 . . . . . 106 ARG CA . 52790 1
797 . 1 . 1 106 106 ARG CB C 13 30.01861804 0.06806557328 . 1 . . . . . 106 ARG CB . 52790 1
798 . 1 . 1 106 106 ARG N N 15 127.1156452 0.103824856 . 1 . . . . . 106 ARG N . 52790 1
799 . 1 . 1 107 107 SER H H 1 8.379402216 0.04653615886 . 1 . . . . . 107 SER H . 52790 1
800 . 1 . 1 107 107 SER C C 13 174.2254967 . . 1 . . . . . 107 SER C . 52790 1
801 . 1 . 1 107 107 SER CA C 13 58.45425733 0 . 1 . . . . . 107 SER CA . 52790 1
802 . 1 . 1 107 107 SER CB C 13 63.2579264 0 . 1 . . . . . 107 SER CB . 52790 1
803 . 1 . 1 107 107 SER N N 15 117.1273887 0.1265064436 . 1 . . . . . 107 SER N . 52790 1
804 . 1 . 1 108 108 THR H H 1 7.804914569 0.04792981835 . 1 . . . . . 108 THR H . 52790 1
805 . 1 . 1 108 108 THR HG21 H 1 1.248205894 0.006809655339 . 1 . . . . . 108 THR HG2# . 52790 1
806 . 1 . 1 108 108 THR HG22 H 1 1.248205894 0.006809655339 . 1 . . . . . 108 THR HG2# . 52790 1
807 . 1 . 1 108 108 THR HG23 H 1 1.248205894 0.006809655339 . 1 . . . . . 108 THR HG2# . 52790 1
808 . 1 . 1 108 108 THR CA C 13 59.1884829 0.04876256895 . 1 . . . . . 108 THR CA . 52790 1
809 . 1 . 1 108 108 THR CB C 13 69.40433483 0.03724019136 . 1 . . . . . 108 THR CB . 52790 1
810 . 1 . 1 108 108 THR CG2 C 13 21.30621317 0.07080725237 . 1 . . . . . 108 THR CG2 . 52790 1
811 . 1 . 1 108 108 THR N N 15 117.21795 0.252752054 . 1 . . . . . 108 THR N . 52790 1
812 . 1 . 1 109 109 PRO C C 13 175.8672518 . . 1 . . . . . 109 PRO C . 52790 1
813 . 1 . 1 109 109 PRO CA C 13 63.09401632 . . 1 . . . . . 109 PRO CA . 52790 1
814 . 1 . 1 109 109 PRO CB C 13 31.09342653 . . 1 . . . . . 109 PRO CB . 52790 1
815 . 1 . 1 110 110 HIS H H 1 7.903251782 0.06534198062 . 1 . . . . . 110 HIS H . 52790 1
816 . 1 . 1 110 110 HIS CA C 13 56.72926908 . . 1 . . . . . 110 HIS CA . 52790 1
817 . 1 . 1 110 110 HIS CB C 13 29.88287712 . . 1 . . . . . 110 HIS CB . 52790 1
818 . 1 . 1 110 110 HIS N N 15 123.730463 0.04537515075 . 1 . . . . . 110 HIS N . 52790 1
819 . 2 . 1 1 1 MET C C 13 175.0479747 . . 1 . . . . . 1 MET C . 52790 1
820 . 2 . 1 1 1 MET CA C 13 54.77421305 . . 1 . . . . . 1 MET CA . 52790 1
821 . 2 . 1 1 1 MET CB C 13 32.57927722 . . 1 . . . . . 1 MET CB . 52790 1
822 . 2 . 1 2 2 ASN H H 1 8.181951841 0.02497915122 . 1 . . . . . 2 ASN H . 52790 1
823 . 2 . 1 2 2 ASN CA C 13 51.70587013 . . 1 . . . . . 2 ASN CA . 52790 1
824 . 2 . 1 2 2 ASN CB C 13 38.15721343 . . 1 . . . . . 2 ASN CB . 52790 1
825 . 2 . 1 2 2 ASN N N 15 121.7894397 0.08160187656 . 1 . . . . . 2 ASN N . 52790 1
826 . 2 . 1 3 3 PRO C C 13 177.9436281 . . 1 . . . . . 3 PRO C . 52790 1
827 . 2 . 1 3 3 PRO CA C 13 64.24836959 . . 1 . . . . . 3 PRO CA . 52790 1
828 . 2 . 1 3 3 PRO CB C 13 31.11838916 . . 1 . . . . . 3 PRO CB . 52790 1
829 . 2 . 1 4 4 TYR H H 1 8.323169739 0.035376277 . 1 . . . . . 4 TYR H . 52790 1
830 . 2 . 1 4 4 TYR C C 13 178.4305263 . . 1 . . . . . 4 TYR C . 52790 1
831 . 2 . 1 4 4 TYR CA C 13 61.74280753 0 . 1 . . . . . 4 TYR CA . 52790 1
832 . 2 . 1 4 4 TYR CB C 13 36.29790136 . . 1 . . . . . 4 TYR CB . 52790 1
833 . 2 . 1 4 4 TYR N N 15 116.433121 0.05288329838 . 1 . . . . . 4 TYR N . 52790 1
834 . 2 . 1 5 5 ILE H H 1 7.767877126 0.01840097184 . 1 . . . . . 5 ILE H . 52790 1
835 . 2 . 1 5 5 ILE C C 13 178.120682 . . 1 . . . . . 5 ILE C . 52790 1
836 . 2 . 1 5 5 ILE CA C 13 64.34028525 0.01029648502 . 1 . . . . . 5 ILE CA . 52790 1
837 . 2 . 1 5 5 ILE CB C 13 35.99086176 0.06637037 . 1 . . . . . 5 ILE CB . 52790 1
838 . 2 . 1 5 5 ILE CD1 C 13 11.63917176 0.04420696736 . 1 . . . . . 5 ILE CD1 . 52790 1
839 . 2 . 1 5 5 ILE N N 15 121.0547714 0.1531132901 . 1 . . . . . 5 ILE N . 52790 1
840 . 2 . 1 6 6 TYR H H 1 6.898524869 0.03285897495 . 1 . . . . . 6 TYR H . 52790 1
841 . 2 . 1 6 6 TYR C C 13 178.120682 . . 1 . . . . . 6 TYR C . 52790 1
842 . 2 . 1 6 6 TYR CA C 13 61.46876168 0.03914941 . 1 . . . . . 6 TYR CA . 52790 1
843 . 2 . 1 6 6 TYR CB C 13 36.88315275 0.054019365 . 1 . . . . . 6 TYR CB . 52790 1
844 . 2 . 1 6 6 TYR N N 15 118.881321 0.08285702622 . 1 . . . . . 6 TYR N . 52790 1
845 . 2 . 1 7 7 LEU H H 1 7.979054544 0.006175215294 . 1 . . . . . 7 LEU H . 52790 1
846 . 2 . 1 7 7 LEU HD11 H 1 1.094177062 0.007534295429 . 1 . . . . . 7 LEU HD1# . 52790 1
847 . 2 . 1 7 7 LEU HD12 H 1 1.094177062 0.007534295429 . 1 . . . . . 7 LEU HD1# . 52790 1
848 . 2 . 1 7 7 LEU HD13 H 1 1.094177062 0.007534295429 . 1 . . . . . 7 LEU HD1# . 52790 1
849 . 2 . 1 7 7 LEU HD21 H 1 1.025729187 0.008138758571 . 1 . . . . . 7 LEU HD2# . 52790 1
850 . 2 . 1 7 7 LEU HD22 H 1 1.025729187 0.008138758571 . 1 . . . . . 7 LEU HD2# . 52790 1
851 . 2 . 1 7 7 LEU HD23 H 1 1.025729187 0.008138758571 . 1 . . . . . 7 LEU HD2# . 52790 1
852 . 2 . 1 7 7 LEU C C 13 178.784634 . . 1 . . . . . 7 LEU C . 52790 1
853 . 2 . 1 7 7 LEU CA C 13 57.51467156 0 . 1 . . . . . 7 LEU CA . 52790 1
854 . 2 . 1 7 7 LEU CB C 13 41.1258776 . . 1 . . . . . 7 LEU CB . 52790 1
855 . 2 . 1 7 7 LEU CD1 C 13 22.33718837 0.04306800832 . 1 . . . . . 7 LEU CD1 . 52790 1
856 . 2 . 1 7 7 LEU CD2 C 13 25.32155788 0.05441314611 . 1 . . . . . 7 LEU CD2 . 52790 1
857 . 2 . 1 7 7 LEU N N 15 120.1588088 0.1344851038 . 1 . . . . . 7 LEU N . 52790 1
858 . 2 . 1 8 8 GLY H H 1 8.730291541 0.01060013072 . 1 . . . . . 8 GLY H . 52790 1
859 . 2 . 1 8 8 GLY C C 13 175.5976642 . . 1 . . . . . 8 GLY C . 52790 1
860 . 2 . 1 8 8 GLY CA C 13 47.17094064 0.008287420015 . 1 . . . . . 8 GLY CA . 52790 1
861 . 2 . 1 8 8 GLY N N 15 106.4354487 0.05594434781 . 1 . . . . . 8 GLY N . 52790 1
862 . 2 . 1 9 9 GLY H H 1 8.722058119 0.009932211589 . 1 . . . . . 9 GLY H . 52790 1
863 . 2 . 1 9 9 GLY C C 13 174.3584444 . . 1 . . . . . 9 GLY C . 52790 1
864 . 2 . 1 9 9 GLY CA C 13 47.50806095 0.01248078499 . 1 . . . . . 9 GLY CA . 52790 1
865 . 2 . 1 9 9 GLY N N 15 109.4397957 0.1052232576 . 1 . . . . . 9 GLY N . 52790 1
866 . 2 . 1 10 10 ALA H H 1 8.890352126 0.06079746541 . 1 . . . . . 10 ALA H . 52790 1
867 . 2 . 1 10 10 ALA HB1 H 1 1.858902213 0.005846422137 . 1 . . . . . 10 ALA HB# . 52790 1
868 . 2 . 1 10 10 ALA HB2 H 1 1.858902213 0.005846422137 . 1 . . . . . 10 ALA HB# . 52790 1
869 . 2 . 1 10 10 ALA HB3 H 1 1.858902213 0.005846422137 . 1 . . . . . 10 ALA HB# . 52790 1
870 . 2 . 1 10 10 ALA C C 13 182.2814481 . . 1 . . . . . 10 ALA C . 52790 1
871 . 2 . 1 10 10 ALA CA C 13 55.33138453 0.009079785021 . 1 . . . . . 10 ALA CA . 52790 1
872 . 2 . 1 10 10 ALA CB C 13 17.88380452 0.04453189479 . 1 . . . . . 10 ALA CB . 52790 1
873 . 2 . 1 10 10 ALA N N 15 124.9024744 0.05165905883 . 1 . . . . . 10 ALA N . 52790 1
874 . 2 . 1 11 11 ILE H H 1 8.59299305 0.01458914351 . 1 . . . . . 11 ILE H . 52790 1
875 . 2 . 1 11 11 ILE HD11 H 1 0.8590191793 0.006762449954 . 1 . . . . . 11 ILE HD1# . 52790 1
876 . 2 . 1 11 11 ILE HD12 H 1 0.8590191793 0.006762449954 . 1 . . . . . 11 ILE HD1# . 52790 1
877 . 2 . 1 11 11 ILE HD13 H 1 0.8590191793 0.006762449954 . 1 . . . . . 11 ILE HD1# . 52790 1
878 . 2 . 1 11 11 ILE C C 13 177.1468857 . . 1 . . . . . 11 ILE C . 52790 1
879 . 2 . 1 11 11 ILE CA C 13 64.40496722 0 . 1 . . . . . 11 ILE CA . 52790 1
880 . 2 . 1 11 11 ILE CB C 13 37.50747521 0.014301805 . 1 . . . . . 11 ILE CB . 52790 1
881 . 2 . 1 11 11 ILE CD1 C 13 13.68522245 0.03753975003 . 1 . . . . . 11 ILE CD1 . 52790 1
882 . 2 . 1 11 11 ILE N N 15 122.9563947 0.06432061635 . 1 . . . . . 11 ILE N . 52790 1
883 . 2 . 1 12 12 LEU H H 1 8.327545539 0.0151335896 . 1 . . . . . 12 LEU H . 52790 1
884 . 2 . 1 12 12 LEU HD11 H 1 0.8387992884 0.008775608733 . 1 . . . . . 12 LEU HD1# . 52790 1
885 . 2 . 1 12 12 LEU HD12 H 1 0.8387992884 0.008775608733 . 1 . . . . . 12 LEU HD1# . 52790 1
886 . 2 . 1 12 12 LEU HD13 H 1 0.8387992884 0.008775608733 . 1 . . . . . 12 LEU HD1# . 52790 1
887 . 2 . 1 12 12 LEU HD21 H 1 0.7989951861 0.00590472088 . 1 . . . . . 12 LEU HD2# . 52790 1
888 . 2 . 1 12 12 LEU HD22 H 1 0.7989951861 0.00590472088 . 1 . . . . . 12 LEU HD2# . 52790 1
889 . 2 . 1 12 12 LEU HD23 H 1 0.7989951861 0.00590472088 . 1 . . . . . 12 LEU HD2# . 52790 1
890 . 2 . 1 12 12 LEU C C 13 178.3419993 . . 1 . . . . . 12 LEU C . 52790 1
891 . 2 . 1 12 12 LEU CA C 13 58.14106207 0 . 1 . . . . . 12 LEU CA . 52790 1
892 . 2 . 1 12 12 LEU CB C 13 40.41494952 0 . 1 . . . . . 12 LEU CB . 52790 1
893 . 2 . 1 12 12 LEU CD1 C 13 23.5058366 0.05419557262 . 1 . . . . . 12 LEU CD1 . 52790 1
894 . 2 . 1 12 12 LEU CD2 C 13 23.14064363 0.04330909512 . 1 . . . . . 12 LEU CD2 . 52790 1
895 . 2 . 1 12 12 LEU N N 15 120.7136663 0.1246661825 . 1 . . . . . 12 LEU N . 52790 1
896 . 2 . 1 13 13 ALA H H 1 8.497518772 0.01048469675 . 1 . . . . . 13 ALA H . 52790 1
897 . 2 . 1 13 13 ALA HB1 H 1 1.566763083 0.007923854685 . 1 . . . . . 13 ALA HB# . 52790 1
898 . 2 . 1 13 13 ALA HB2 H 1 1.566763083 0.007923854685 . 1 . . . . . 13 ALA HB# . 52790 1
899 . 2 . 1 13 13 ALA HB3 H 1 1.566763083 0.007923854685 . 1 . . . . . 13 ALA HB# . 52790 1
900 . 2 . 1 13 13 ALA C C 13 178.6961071 . . 1 . . . . . 13 ALA C . 52790 1
901 . 2 . 1 13 13 ALA CA C 13 55.36145416 0.03914941 . 1 . . . . . 13 ALA CA . 52790 1
902 . 2 . 1 13 13 ALA CB C 13 16.485328 0.04694337918 . 1 . . . . . 13 ALA CB . 52790 1
903 . 2 . 1 13 13 ALA N N 15 119.3199882 0.04927750142 . 1 . . . . . 13 ALA N . 52790 1
904 . 2 . 1 14 14 GLU H H 1 7.759474939 0.01421342438 . 1 . . . . . 14 GLU H . 52790 1
905 . 2 . 1 14 14 GLU C C 13 177.8551012 . . 1 . . . . . 14 GLU C . 52790 1
906 . 2 . 1 14 14 GLU CA C 13 58.6061894 0.004665555077 . 1 . . . . . 14 GLU CA . 52790 1
907 . 2 . 1 14 14 GLU CB C 13 27.13414901 0 . 1 . . . . . 14 GLU CB . 52790 1
908 . 2 . 1 14 14 GLU N N 15 119.2638853 0.1283333877 . 1 . . . . . 14 GLU N . 52790 1
909 . 2 . 1 15 15 VAL H H 1 8.38562406 0.01139237184 . 1 . . . . . 15 VAL H . 52790 1
910 . 2 . 1 15 15 VAL HG11 H 1 0.826857403 0.006000014383 . 1 . . . . . 15 VAL HG1# . 52790 1
911 . 2 . 1 15 15 VAL HG12 H 1 0.826857403 0.006000014383 . 1 . . . . . 15 VAL HG1# . 52790 1
912 . 2 . 1 15 15 VAL HG13 H 1 0.826857403 0.006000014383 . 1 . . . . . 15 VAL HG1# . 52790 1
913 . 2 . 1 15 15 VAL HG21 H 1 1.144666252 0.007113084504 . 1 . . . . . 15 VAL HG2# . 52790 1
914 . 2 . 1 15 15 VAL HG22 H 1 1.144666252 0.007113084504 . 1 . . . . . 15 VAL HG2# . 52790 1
915 . 2 . 1 15 15 VAL HG23 H 1 1.144666252 0.007113084504 . 1 . . . . . 15 VAL HG2# . 52790 1
916 . 2 . 1 15 15 VAL C C 13 179.0944783 . . 1 . . . . . 15 VAL C . 52790 1
917 . 2 . 1 15 15 VAL CA C 13 66.14862333 0.1418281005 . 1 . . . . . 15 VAL CA . 52790 1
918 . 2 . 1 15 15 VAL CB C 13 30.77433626 0.03807190195 . 1 . . . . . 15 VAL CB . 52790 1
919 . 2 . 1 15 15 VAL CG1 C 13 20.45145921 0.06435354619 . 1 . . . . . 15 VAL CG1 . 52790 1
920 . 2 . 1 15 15 VAL CG2 C 13 23.09339896 0.06340335997 . 1 . . . . . 15 VAL CG2 . 52790 1
921 . 2 . 1 15 15 VAL N N 15 121.6852416 0.08193425212 . 1 . . . . . 15 VAL N . 52790 1
922 . 2 . 1 16 16 ILE H H 1 8.568982266 0.00861975393 . 1 . . . . . 16 ILE H . 52790 1
923 . 2 . 1 16 16 ILE HD11 H 1 0.7059300455 0.007296951816 . 1 . . . . . 16 ILE HD1# . 52790 1
924 . 2 . 1 16 16 ILE HD12 H 1 0.7059300455 0.007296951816 . 1 . . . . . 16 ILE HD1# . 52790 1
925 . 2 . 1 16 16 ILE HD13 H 1 0.7059300455 0.007296951816 . 1 . . . . . 16 ILE HD1# . 52790 1
926 . 2 . 1 16 16 ILE C C 13 177.9436281 . . 1 . . . . . 16 ILE C . 52790 1
927 . 2 . 1 16 16 ILE CA C 13 65.07050714 0.03914941001 . 1 . . . . . 16 ILE CA . 52790 1
928 . 2 . 1 16 16 ILE CB C 13 36.26069186 0.0372095 . 1 . . . . . 16 ILE CB . 52790 1
929 . 2 . 1 16 16 ILE CD1 C 13 11.51898398 0.04330784437 . 1 . . . . . 16 ILE CD1 . 52790 1
930 . 2 . 1 16 16 ILE N N 15 122.171864 0.1634222071 . 1 . . . . . 16 ILE N . 52790 1
931 . 2 . 1 17 17 GLY H H 1 8.5049021 0.01360068991 . 1 . . . . . 17 GLY H . 52790 1
932 . 2 . 1 17 17 GLY C C 13 174.5796045 . . 1 . . . . . 17 GLY C . 52790 1
933 . 2 . 1 17 17 GLY CA C 13 47.72731976 0 . 1 . . . . . 17 GLY CA . 52790 1
934 . 2 . 1 17 17 GLY N N 15 107.97222 0.07767785959 . 1 . . . . . 17 GLY N . 52790 1
935 . 2 . 1 18 18 THR H H 1 8.457219045 0.003910469808 . 1 . . . . . 18 THR H . 52790 1
936 . 2 . 1 18 18 THR HG21 H 1 1.150866722 0.008486653945 . 1 . . . . . 18 THR HG2# . 52790 1
937 . 2 . 1 18 18 THR HG22 H 1 1.150866722 0.008486653945 . 1 . . . . . 18 THR HG2# . 52790 1
938 . 2 . 1 18 18 THR HG23 H 1 1.150866722 0.008486653945 . 1 . . . . . 18 THR HG2# . 52790 1
939 . 2 . 1 18 18 THR C C 13 175.3763469 . . 1 . . . . . 18 THR C . 52790 1
940 . 2 . 1 18 18 THR CA C 13 66.44073639 0 . 1 . . . . . 18 THR CA . 52790 1
941 . 2 . 1 18 18 THR CB C 13 68.4374386 . . 1 . . . . . 18 THR CB . 52790 1
942 . 2 . 1 18 18 THR CG2 C 13 21.78583167 0.07074436419 . 1 . . . . . 18 THR CG2 . 52790 1
943 . 2 . 1 18 18 THR N N 15 118.8936862 0.1158859797 . 1 . . . . . 18 THR N . 52790 1
944 . 2 . 1 19 19 THR H H 1 7.787662897 0.006277958901 . 1 . . . . . 19 THR H . 52790 1
945 . 2 . 1 19 19 THR HG21 H 1 1.204515562 0.005822737923 . 1 . . . . . 19 THR HG2# . 52790 1
946 . 2 . 1 19 19 THR HG22 H 1 1.204515562 0.005822737923 . 1 . . . . . 19 THR HG2# . 52790 1
947 . 2 . 1 19 19 THR HG23 H 1 1.204515562 0.005822737923 . 1 . . . . . 19 THR HG2# . 52790 1
948 . 2 . 1 19 19 THR C C 13 176.1730893 . . 1 . . . . . 19 THR C . 52790 1
949 . 2 . 1 19 19 THR CA C 13 67.61521861 0 . 1 . . . . . 19 THR CA . 52790 1
950 . 2 . 1 19 19 THR CB C 13 68.3046306 . . 1 . . . . . 19 THR CB . 52790 1
951 . 2 . 1 19 19 THR CG2 C 13 20.57177277 0.05860411945 . 1 . . . . . 19 THR CG2 . 52790 1
952 . 2 . 1 19 19 THR N N 15 119.4540612 0.07828056974 . 1 . . . . . 19 THR N . 52790 1
953 . 2 . 1 20 20 LEU H H 1 8.267649066 0.01607584315 . 1 . . . . . 20 LEU H . 52790 1
954 . 2 . 1 20 20 LEU HD11 H 1 0.7872948136 0.005029437308 . 1 . . . . . 20 LEU HD1# . 52790 1
955 . 2 . 1 20 20 LEU HD12 H 1 0.7872948136 0.005029437308 . 1 . . . . . 20 LEU HD1# . 52790 1
956 . 2 . 1 20 20 LEU HD13 H 1 0.7872948136 0.005029437308 . 1 . . . . . 20 LEU HD1# . 52790 1
957 . 2 . 1 20 20 LEU HD21 H 1 0.8112922965 0.005219742607 . 1 . . . . . 20 LEU HD2# . 52790 1
958 . 2 . 1 20 20 LEU HD22 H 1 0.8112922965 0.005219742607 . 1 . . . . . 20 LEU HD2# . 52790 1
959 . 2 . 1 20 20 LEU HD23 H 1 0.8112922965 0.005219742607 . 1 . . . . . 20 LEU HD2# . 52790 1
960 . 2 . 1 20 20 LEU C C 13 178.9616879 . . 1 . . . . . 20 LEU C . 52790 1
961 . 2 . 1 20 20 LEU CA C 13 57.94949921 0.03496523 . 1 . . . . . 20 LEU CA . 52790 1
962 . 2 . 1 20 20 LEU CB C 13 39.91073759 0.1103718984 . 1 . . . . . 20 LEU CB . 52790 1
963 . 2 . 1 20 20 LEU CD1 C 13 25.731087 0.03179551772 . 1 . . . . . 20 LEU CD1 . 52790 1
964 . 2 . 1 20 20 LEU CD2 C 13 22.59738093 0.05404947386 . 1 . . . . . 20 LEU CD2 . 52790 1
965 . 2 . 1 20 20 LEU N N 15 120.6745476 0.1225295845 . 1 . . . . . 20 LEU N . 52790 1
966 . 2 . 1 21 21 MET H H 1 8.165430344 0.0246339563 . 1 . . . . . 21 MET H . 52790 1
967 . 2 . 1 21 21 MET C C 13 181.2633883 . . 1 . . . . . 21 MET C . 52790 1
968 . 2 . 1 21 21 MET CA C 13 59.15453935 0.002370914909 . 1 . . . . . 21 MET CA . 52790 1
969 . 2 . 1 21 21 MET CB C 13 31.38494651 . . 1 . . . . . 21 MET CB . 52790 1
970 . 2 . 1 21 21 MET N N 15 121.249039 0.04436371848 . 1 . . . . . 21 MET N . 52790 1
971 . 2 . 1 22 22 LYS H H 1 7.752513196 0.01821509602 . 1 . . . . . 22 LYS H . 52790 1
972 . 2 . 1 22 22 LYS C C 13 178.3419993 . . 1 . . . . . 22 LYS C . 52790 1
973 . 2 . 1 22 22 LYS CA C 13 58.68989435 . . 1 . . . . . 22 LYS CA . 52790 1
974 . 2 . 1 22 22 LYS CB C 13 30.58715714 0 . 1 . . . . . 22 LYS CB . 52790 1
975 . 2 . 1 22 22 LYS N N 15 122.454494 0.0901549751 . 1 . . . . . 22 LYS N . 52790 1
976 . 2 . 1 23 23 PHE H H 1 7.62591446 0.01037360112 . 1 . . . . . 23 PHE H . 52790 1
977 . 2 . 1 23 23 PHE C C 13 175.6861912 . . 1 . . . . . 23 PHE C . 52790 1
978 . 2 . 1 23 23 PHE CA C 13 58.61480371 0.003948749975 . 1 . . . . . 23 PHE CA . 52790 1
979 . 2 . 1 23 23 PHE CB C 13 38.2756203 0.01440114001 . 1 . . . . . 23 PHE CB . 52790 1
980 . 2 . 1 23 23 PHE N N 15 117.8607483 0.04642217878 . 1 . . . . . 23 PHE N . 52790 1
981 . 2 . 1 24 24 SER H H 1 7.917025187 0.02041646709 . 1 . . . . . 24 SER H . 52790 1
982 . 2 . 1 24 24 SER HA H 1 5.379942015 . . 1 . . . . . 24 SER HA . 52790 1
983 . 2 . 1 24 24 SER C C 13 173.782862 . . 1 . . . . . 24 SER C . 52790 1
984 . 2 . 1 24 24 SER CA C 13 60.17683124 0 . 1 . . . . . 24 SER CA . 52790 1
985 . 2 . 1 24 24 SER CB C 13 63.93244841 0.01048198502 . 1 . . . . . 24 SER CB . 52790 1
986 . 2 . 1 24 24 SER N N 15 115.0420255 0.06560919699 . 1 . . . . . 24 SER N . 52790 1
987 . 2 . 1 25 25 GLU H H 1 8.119723749 0.03153973086 . 1 . . . . . 25 GLU H . 52790 1
988 . 2 . 1 25 25 GLU C C 13 178.032155 . . 1 . . . . . 25 GLU C . 52790 1
989 . 2 . 1 25 25 GLU CA C 13 55.87039645 0 . 1 . . . . . 25 GLU CA . 52790 1
990 . 2 . 1 25 25 GLU CB C 13 26.21781298 0.013320005 . 1 . . . . . 25 GLU CB . 52790 1
991 . 2 . 1 25 25 GLU N N 15 122.0960527 0.2124397469 . 1 . . . . . 25 GLU N . 52790 1
992 . 2 . 1 26 26 GLY H H 1 9.166145485 0.02185020739 . 1 . . . . . 26 GLY H . 52790 1
993 . 2 . 1 26 26 GLY C C 13 174.7123949 . . 1 . . . . . 26 GLY C . 52790 1
994 . 2 . 1 26 26 GLY CA C 13 46.93367377 0.01065785001 . 1 . . . . . 26 GLY CA . 52790 1
995 . 2 . 1 26 26 GLY N N 15 112.9804194 0.0577415152 . 1 . . . . . 26 GLY N . 52790 1
996 . 2 . 1 27 27 PHE H H 1 7.937495471 0.005096005697 . 1 . . . . . 27 PHE H . 52790 1
997 . 2 . 1 27 27 PHE C C 13 174.2254967 . . 1 . . . . . 27 PHE C . 52790 1
998 . 2 . 1 27 27 PHE CA C 13 58.99487931 . . 1 . . . . . 27 PHE CA . 52790 1
999 . 2 . 1 27 27 PHE CB C 13 35.87031253 . . 1 . . . . . 27 PHE CB . 52790 1
1000 . 2 . 1 27 27 PHE N N 15 113.9641484 0.1370941171 . 1 . . . . . 27 PHE N . 52790 1
1001 . 2 . 1 28 28 THR H H 1 7.542330005 0.005387693018 . 1 . . . . . 28 THR H . 52790 1
1002 . 2 . 1 28 28 THR HG21 H 1 1.304500759 0.005247104682 . 1 . . . . . 28 THR HG2# . 52790 1
1003 . 2 . 1 28 28 THR HG22 H 1 1.304500759 0.005247104682 . 1 . . . . . 28 THR HG2# . 52790 1
1004 . 2 . 1 28 28 THR HG23 H 1 1.304500759 0.005247104682 . 1 . . . . . 28 THR HG2# . 52790 1
1005 . 2 . 1 28 28 THR C C 13 175.3763469 . . 1 . . . . . 28 THR C . 52790 1
1006 . 2 . 1 28 28 THR CA C 13 62.00090391 0.02319994 . 1 . . . . . 28 THR CA . 52790 1
1007 . 2 . 1 28 28 THR CB C 13 70.30240745 0.005656785027 . 1 . . . . . 28 THR CB . 52790 1
1008 . 2 . 1 28 28 THR CG2 C 13 20.63260919 0.03430102577 . 1 . . . . . 28 THR CG2 . 52790 1
1009 . 2 . 1 28 28 THR N N 15 102.4764332 0.05302756027 . 1 . . . . . 28 THR N . 52790 1
1010 . 2 . 1 29 29 ARG H H 1 7.571694776 0.0236416463 . 1 . . . . . 29 ARG H . 52790 1
1011 . 2 . 1 29 29 ARG C C 13 177.8551012 . . 1 . . . . . 29 ARG C . 52790 1
1012 . 2 . 1 29 29 ARG CA C 13 54.23213308 0.006011730027 . 1 . . . . . 29 ARG CA . 52790 1
1013 . 2 . 1 29 29 ARG CB C 13 30.05339574 0.002529379998 . 1 . . . . . 29 ARG CB . 52790 1
1014 . 2 . 1 29 29 ARG N N 15 120.7883913 0.04907494897 . 1 . . . . . 29 ARG N . 52790 1
1015 . 2 . 1 30 30 LEU H H 1 8.949942712 0.01380498906 . 1 . . . . . 30 LEU H . 52790 1
1016 . 2 . 1 30 30 LEU HD11 H 1 0.5712013987 0.005093714212 . 1 . . . . . 30 LEU HD1# . 52790 1
1017 . 2 . 1 30 30 LEU HD12 H 1 0.5712013987 0.005093714212 . 1 . . . . . 30 LEU HD1# . 52790 1
1018 . 2 . 1 30 30 LEU HD13 H 1 0.5712013987 0.005093714212 . 1 . . . . . 30 LEU HD1# . 52790 1
1019 . 2 . 1 30 30 LEU HD21 H 1 0.3891686626 0.01414236726 . 1 . . . . . 30 LEU HD2# . 52790 1
1020 . 2 . 1 30 30 LEU HD22 H 1 0.3891686626 0.01414236726 . 1 . . . . . 30 LEU HD2# . 52790 1
1021 . 2 . 1 30 30 LEU HD23 H 1 0.3891686626 0.01414236726 . 1 . . . . . 30 LEU HD2# . 52790 1
1022 . 2 . 1 30 30 LEU C C 13 177.5009934 . . 1 . . . . . 30 LEU C . 52790 1
1023 . 2 . 1 30 30 LEU CA C 13 59.72283596 0.015797595 . 1 . . . . . 30 LEU CA . 52790 1
1024 . 2 . 1 30 30 LEU CB C 13 41.21179755 0 . 1 . . . . . 30 LEU CB . 52790 1
1025 . 2 . 1 30 30 LEU CD1 C 13 22.33226125 0.04514768076 . 1 . . . . . 30 LEU CD1 . 52790 1
1026 . 2 . 1 30 30 LEU CD2 C 13 24.22418648 0.02730383507 . 1 . . . . . 30 LEU CD2 . 52790 1
1027 . 2 . 1 30 30 LEU N N 15 130.9689658 0.08219691935 . 1 . . . . . 30 LEU N . 52790 1
1028 . 2 . 1 31 31 TRP H H 1 9.218865523 0.008192954714 . 1 . . . . . 31 TRP H . 52790 1
1029 . 2 . 1 31 31 TRP HE1 H 1 10.40805121 0.01288676308 . 1 . . . . . 31 TRP HE1 . 52790 1
1030 . 2 . 1 31 31 TRP CA C 13 61.74280753 . . 1 . . . . . 31 TRP CA . 52790 1
1031 . 2 . 1 31 31 TRP CB C 13 26.20449297 . . 1 . . . . . 31 TRP CB . 52790 1
1032 . 2 . 1 31 31 TRP N N 15 118.707657 0.06063224755 . 1 . . . . . 31 TRP N . 52790 1
1033 . 2 . 1 31 31 TRP NE1 N 15 129.8719771 0.07385349475 . 1 . . . . . 31 TRP NE1 . 52790 1
1034 . 2 . 1 32 32 PRO C C 13 179.2272687 . . 1 . . . . . 32 PRO C . 52790 1
1035 . 2 . 1 32 32 PRO CA C 13 65.34455299 . . 1 . . . . . 32 PRO CA . 52790 1
1036 . 2 . 1 32 32 PRO CB C 13 30.45434914 . . 1 . . . . . 32 PRO CB . 52790 1
1037 . 2 . 1 33 33 SER H H 1 7.326916466 0.02376080646 . 1 . . . . . 33 SER H . 52790 1
1038 . 2 . 1 33 33 SER HA H 1 4.6073745 . . 1 . . . . . 33 SER HA . 52790 1
1039 . 2 . 1 33 33 SER C C 13 175.199293 . . 1 . . . . . 33 SER C . 52790 1
1040 . 2 . 1 33 33 SER CA C 13 63.54368026 0 . 1 . . . . . 33 SER CA . 52790 1
1041 . 2 . 1 33 33 SER CB C 13 61.53142234 0 . 1 . . . . . 33 SER CB . 52790 1
1042 . 2 . 1 33 33 SER N N 15 115.7957948 0.06106661463 . 1 . . . . . 33 SER N . 52790 1
1043 . 2 . 1 34 34 VAL H H 1 8.427988907 0.009499218526 . 1 . . . . . 34 VAL H . 52790 1
1044 . 2 . 1 34 34 VAL HG11 H 1 0.9468045577 0.005747718139 . 1 . . . . . 34 VAL HG1# . 52790 1
1045 . 2 . 1 34 34 VAL HG12 H 1 0.9468045577 0.005747718139 . 1 . . . . . 34 VAL HG1# . 52790 1
1046 . 2 . 1 34 34 VAL HG13 H 1 0.9468045577 0.005747718139 . 1 . . . . . 34 VAL HG1# . 52790 1
1047 . 2 . 1 34 34 VAL HG21 H 1 0.8854036958 0.004422227158 . 1 . . . . . 34 VAL HG2# . 52790 1
1048 . 2 . 1 34 34 VAL HG22 H 1 0.8854036958 0.004422227158 . 1 . . . . . 34 VAL HG2# . 52790 1
1049 . 2 . 1 34 34 VAL HG23 H 1 0.8854036958 0.004422227158 . 1 . . . . . 34 VAL HG2# . 52790 1
1050 . 2 . 1 34 34 VAL C C 13 178.5190532 . . 1 . . . . . 34 VAL C . 52790 1
1051 . 2 . 1 34 34 VAL CA C 13 66.5741985 0.0670799517 . 1 . . . . . 34 VAL CA . 52790 1
1052 . 2 . 1 34 34 VAL CB C 13 30.78121492 0.03670525961 . 1 . . . . . 34 VAL CB . 52790 1
1053 . 2 . 1 34 34 VAL CG1 C 13 20.62061545 0.04478535495 . 1 . . . . . 34 VAL CG1 . 52790 1
1054 . 2 . 1 34 34 VAL CG2 C 13 22.20045574 0.04245967918 . 1 . . . . . 34 VAL CG2 . 52790 1
1055 . 2 . 1 34 34 VAL N N 15 121.9137015 0.0642684178 . 1 . . . . . 34 VAL N . 52790 1
1056 . 2 . 1 35 35 GLY H H 1 8.837916102 0.007948216007 . 1 . . . . . 35 GLY H . 52790 1
1057 . 2 . 1 35 35 GLY C C 13 174.7566583 . . 1 . . . . . 35 GLY C . 52790 1
1058 . 2 . 1 35 35 GLY CA C 13 47.72731976 0 . 1 . . . . . 35 GLY CA . 52790 1
1059 . 2 . 1 35 35 GLY N N 15 105.4258477 0.0785978582 . 1 . . . . . 35 GLY N . 52790 1
1060 . 2 . 1 36 36 THR H H 1 8.311654633 0.005645778721 . 1 . . . . . 36 THR H . 52790 1
1061 . 2 . 1 36 36 THR HG21 H 1 1.197958767 0.004001603026 . 1 . . . . . 36 THR HG2# . 52790 1
1062 . 2 . 1 36 36 THR HG22 H 1 1.197958767 0.004001603026 . 1 . . . . . 36 THR HG2# . 52790 1
1063 . 2 . 1 36 36 THR HG23 H 1 1.197958767 0.004001603026 . 1 . . . . . 36 THR HG2# . 52790 1
1064 . 2 . 1 36 36 THR C C 13 175.5976642 . . 1 . . . . . 36 THR C . 52790 1
1065 . 2 . 1 36 36 THR CA C 13 68.64283979 0.009736594949 . 1 . . . . . 36 THR CA . 52790 1
1066 . 2 . 1 36 36 THR CB C 13 68.20391264 . . 1 . . . . . 36 THR CB . 52790 1
1067 . 2 . 1 36 36 THR CG2 C 13 20.96389117 0.052796817 . 1 . . . . . 36 THR CG2 . 52790 1
1068 . 2 . 1 36 36 THR N N 15 121.2958376 0.07032864028 . 1 . . . . . 36 THR N . 52790 1
1069 . 2 . 1 37 37 ILE H H 1 7.520254604 0.01484663029 . 1 . . . . . 37 ILE H . 52790 1
1070 . 2 . 1 37 37 ILE HD11 H 1 0.8441656025 0.005866164105 . 1 . . . . . 37 ILE HD1# . 52790 1
1071 . 2 . 1 37 37 ILE HD12 H 1 0.8441656025 0.005866164105 . 1 . . . . . 37 ILE HD1# . 52790 1
1072 . 2 . 1 37 37 ILE HD13 H 1 0.8441656025 0.005866164105 . 1 . . . . . 37 ILE HD1# . 52790 1
1073 . 2 . 1 37 37 ILE C C 13 178.3359123 . . 1 . . . . . 37 ILE C . 52790 1
1074 . 2 . 1 37 37 ILE CA C 13 65.07282088 0.006591104969 . 1 . . . . . 37 ILE CA . 52790 1
1075 . 2 . 1 37 37 ILE CB C 13 37.08951158 0.005237809988 . 1 . . . . . 37 ILE CB . 52790 1
1076 . 2 . 1 37 37 ILE CD1 C 13 11.89335333 0.07661599903 . 1 . . . . . 37 ILE CD1 . 52790 1
1077 . 2 . 1 37 37 ILE N N 15 119.5567755 0.06294571131 . 1 . . . . . 37 ILE N . 52790 1
1078 . 2 . 1 38 38 ILE H H 1 8.408269138 0.0186061273 . 1 . . . . . 38 ILE H . 52790 1
1079 . 2 . 1 38 38 ILE HD11 H 1 0.7771388316 0.00773913621 . 1 . . . . . 38 ILE HD1# . 52790 1
1080 . 2 . 1 38 38 ILE HD12 H 1 0.7771388316 0.00773913621 . 1 . . . . . 38 ILE HD1# . 52790 1
1081 . 2 . 1 38 38 ILE HD13 H 1 0.7771388316 0.00773913621 . 1 . . . . . 38 ILE HD1# . 52790 1
1082 . 2 . 1 38 38 ILE CD1 C 13 12.44237743 0.04023530912 . 1 . . . . . 38 ILE CD1 . 52790 1
1083 . 2 . 1 38 38 ILE N N 15 119.4086291 0.05869750669 . 1 . . . . . 38 ILE N . 52790 1
1084 . 2 . 1 39 39 CYS H H 1 8.313380026 0.02153250374 . 1 . . . . . 39 CYS H . 52790 1
1085 . 2 . 1 39 39 CYS C C 13 177.6337838 . . 1 . . . . . 39 CYS C . 52790 1
1086 . 2 . 1 39 39 CYS CA C 13 65.22710477 0.03914940999 . 1 . . . . . 39 CYS CA . 52790 1
1087 . 2 . 1 39 39 CYS CB C 13 25.87247296 0.066404 . 1 . . . . . 39 CYS CB . 52790 1
1088 . 2 . 1 39 39 CYS N N 15 116.5228634 0.05020765957 . 1 . . . . . 39 CYS N . 52790 1
1089 . 2 . 1 40 40 TYR H H 1 8.581301943 0.006958862899 . 1 . . . . . 40 TYR H . 52790 1
1090 . 2 . 1 40 40 TYR C C 13 178.3419993 . . 1 . . . . . 40 TYR C . 52790 1
1091 . 2 . 1 40 40 TYR CA C 13 61.2869567 0.01394205501 . 1 . . . . . 40 TYR CA . 52790 1
1092 . 2 . 1 40 40 TYR CB C 13 36.10294628 0.05455184758 . 1 . . . . . 40 TYR CB . 52790 1
1093 . 2 . 1 40 40 TYR N N 15 118.9093224 0.06188228226 . 1 . . . . . 40 TYR N . 52790 1
1094 . 2 . 1 41 41 CYS H H 1 8.595275294 0.005541752933 . 1 . . . . . 41 CYS H . 52790 1
1095 . 2 . 1 41 41 CYS C C 13 176.615724 . . 1 . . . . . 41 CYS C . 52790 1
1096 . 2 . 1 41 41 CYS CA C 13 65.05007882 0.01872108496 . 1 . . . . . 41 CYS CA . 52790 1
1097 . 2 . 1 41 41 CYS CB C 13 26.07168497 0 . 1 . . . . . 41 CYS CB . 52790 1
1098 . 2 . 1 41 41 CYS N N 15 117.9711285 0.124309231 . 1 . . . . . 41 CYS N . 52790 1
1099 . 2 . 1 42 42 ALA H H 1 8.295712104 0.007709788139 . 1 . . . . . 42 ALA H . 52790 1
1100 . 2 . 1 42 42 ALA HB1 H 1 1.440580314 0.004829195184 . 1 . . . . . 42 ALA HB# . 52790 1
1101 . 2 . 1 42 42 ALA HB2 H 1 1.440580314 0.004829195184 . 1 . . . . . 42 ALA HB# . 52790 1
1102 . 2 . 1 42 42 ALA HB3 H 1 1.440580314 0.004829195184 . 1 . . . . . 42 ALA HB# . 52790 1
1103 . 2 . 1 42 42 ALA C C 13 178.4747897 . . 1 . . . . . 42 ALA C . 52790 1
1104 . 2 . 1 42 42 ALA CA C 13 54.89166128 0.039149405 . 1 . . . . . 42 ALA CA . 52790 1
1105 . 2 . 1 42 42 ALA CB C 13 16.72993552 0.05276148693 . 1 . . . . . 42 ALA CB . 52790 1
1106 . 2 . 1 42 42 ALA N N 15 119.8344733 0.07555591637 . 1 . . . . . 42 ALA N . 52790 1
1107 . 2 . 1 43 43 SER H H 1 8.459079705 0.008739356912 . 1 . . . . . 43 SER H . 52790 1
1108 . 2 . 1 43 43 SER C C 13 176.8370414 . . 1 . . . . . 43 SER C . 52790 1
1109 . 2 . 1 43 43 SER CA C 13 63.03473797 0.039149405 . 1 . . . . . 43 SER CA . 52790 1
1110 . 2 . 1 43 43 SER CB C 13 63.74056948 0.04858893501 . 1 . . . . . 43 SER CB . 52790 1
1111 . 2 . 1 43 43 SER N N 15 112.2215784 0.04513200679 . 1 . . . . . 43 SER N . 52790 1
1112 . 2 . 1 44 44 PHE H H 1 8.283899383 0.00406144096 . 1 . . . . . 44 PHE H . 52790 1
1113 . 2 . 1 44 44 PHE C C 13 177.688612 . . 1 . . . . . 44 PHE C . 52790 1
1114 . 2 . 1 44 44 PHE CA C 13 60.80322176 0 . 1 . . . . . 44 PHE CA . 52790 1
1115 . 2 . 1 44 44 PHE CB C 13 37.82519342 0.066404 . 1 . . . . . 44 PHE CB . 52790 1
1116 . 2 . 1 44 44 PHE N N 15 116.2184902 0.04187993649 . 1 . . . . . 44 PHE N . 52790 1
1117 . 2 . 1 45 45 TRP H H 1 8.40837967 0.005829824335 . 1 . . . . . 45 TRP H . 52790 1
1118 . 2 . 1 45 45 TRP HE1 H 1 10.75559328 0.0111485919 . 1 . . . . . 45 TRP HE1 . 52790 1
1119 . 2 . 1 45 45 TRP C C 13 178.8288975 . . 1 . . . . . 45 TRP C . 52790 1
1120 . 2 . 1 45 45 TRP CA C 13 62.77084934 0.01015722002 . 1 . . . . . 45 TRP CA . 52790 1
1121 . 2 . 1 45 45 TRP CB C 13 28.26910591 0.06031515 . 1 . . . . . 45 TRP CB . 52790 1
1122 . 2 . 1 45 45 TRP N N 15 121.1666301 0.05735420581 . 1 . . . . . 45 TRP N . 52790 1
1123 . 2 . 1 45 45 TRP NE1 N 15 130.9940636 0.02505398426 . 1 . . . . . 45 TRP NE1 . 52790 1
1124 . 2 . 1 46 46 LEU H H 1 8.635158763 0.006144106464 . 1 . . . . . 46 LEU H . 52790 1
1125 . 2 . 1 46 46 LEU HD11 H 1 0.8191524408 0.004098402629 . 1 . . . . . 46 LEU HD1# . 52790 1
1126 . 2 . 1 46 46 LEU HD12 H 1 0.8191524408 0.004098402629 . 1 . . . . . 46 LEU HD1# . 52790 1
1127 . 2 . 1 46 46 LEU HD13 H 1 0.8191524408 0.004098402629 . 1 . . . . . 46 LEU HD1# . 52790 1
1128 . 2 . 1 46 46 LEU HD21 H 1 1.188200197 0.008981238628 . 1 . . . . . 46 LEU HD2# . 52790 1
1129 . 2 . 1 46 46 LEU HD22 H 1 1.188200197 0.008981238628 . 1 . . . . . 46 LEU HD2# . 52790 1
1130 . 2 . 1 46 46 LEU HD23 H 1 1.188200197 0.008981238628 . 1 . . . . . 46 LEU HD2# . 52790 1
1131 . 2 . 1 46 46 LEU C C 13 179.0944783 . . 1 . . . . . 46 LEU C . 52790 1
1132 . 2 . 1 46 46 LEU CA C 13 58.14321796 0.055392245 . 1 . . . . . 46 LEU CA . 52790 1
1133 . 2 . 1 46 46 LEU CB C 13 40.61828986 0.07053232872 . 1 . . . . . 46 LEU CB . 52790 1
1134 . 2 . 1 46 46 LEU CD1 C 13 24.59279932 0.06195197204 . 1 . . . . . 46 LEU CD1 . 52790 1
1135 . 2 . 1 46 46 LEU CD2 C 13 23.92119046 0.03551562266 . 1 . . . . . 46 LEU CD2 . 52790 1
1136 . 2 . 1 46 46 LEU N N 15 119.1471602 0.2017938323 . 1 . . . . . 46 LEU N . 52790 1
1137 . 2 . 1 47 47 LEU H H 1 8.634518713 0.01157546412 . 1 . . . . . 47 LEU H . 52790 1
1138 . 2 . 1 47 47 LEU HD11 H 1 0.4798215627 0.005533602654 . 1 . . . . . 47 LEU HD1# . 52790 1
1139 . 2 . 1 47 47 LEU HD12 H 1 0.4798215627 0.005533602654 . 1 . . . . . 47 LEU HD1# . 52790 1
1140 . 2 . 1 47 47 LEU HD13 H 1 0.4798215627 0.005533602654 . 1 . . . . . 47 LEU HD1# . 52790 1
1141 . 2 . 1 47 47 LEU HD21 H 1 -0.1176185578 0.03088653586 . 1 . . . . . 47 LEU HD2# . 52790 1
1142 . 2 . 1 47 47 LEU HD22 H 1 -0.1176185578 0.03088653586 . 1 . . . . . 47 LEU HD2# . 52790 1
1143 . 2 . 1 47 47 LEU HD23 H 1 -0.1176185578 0.03088653586 . 1 . . . . . 47 LEU HD2# . 52790 1
1144 . 2 . 1 47 47 LEU C C 13 180.1125381 . . 1 . . . . . 47 LEU C . 52790 1
1145 . 2 . 1 47 47 LEU CA C 13 57.16424764 0.04107016001 . 1 . . . . . 47 LEU CA . 52790 1
1146 . 2 . 1 47 47 LEU CB C 13 40.86573682 0.08053073627 . 1 . . . . . 47 LEU CB . 52790 1
1147 . 2 . 1 47 47 LEU CD1 C 13 22.20160641 0.04961147715 . 1 . . . . . 47 LEU CD1 . 52790 1
1148 . 2 . 1 47 47 LEU CD2 C 13 23.51019604 0.06310309005 . 1 . . . . . 47 LEU CD2 . 52790 1
1149 . 2 . 1 47 47 LEU N N 15 121.1968089 0.07240173637 . 1 . . . . . 47 LEU N . 52790 1
1150 . 2 . 1 48 48 ALA H H 1 8.768567722 0.008449604212 . 1 . . . . . 48 ALA H . 52790 1
1151 . 2 . 1 48 48 ALA HB1 H 1 1.370058914 0.006706165806 . 1 . . . . . 48 ALA HB# . 52790 1
1152 . 2 . 1 48 48 ALA HB2 H 1 1.370058914 0.006706165806 . 1 . . . . . 48 ALA HB# . 52790 1
1153 . 2 . 1 48 48 ALA HB3 H 1 1.370058914 0.006706165806 . 1 . . . . . 48 ALA HB# . 52790 1
1154 . 2 . 1 48 48 ALA C C 13 180.5994362 . . 1 . . . . . 48 ALA C . 52790 1
1155 . 2 . 1 48 48 ALA CA C 13 54.73506364 0.03914940501 . 1 . . . . . 48 ALA CA . 52790 1
1156 . 2 . 1 48 48 ALA CB C 13 17.59050923 0.03543980005 . 1 . . . . . 48 ALA CB . 52790 1
1157 . 2 . 1 48 48 ALA N N 15 121.1829023 0.06696929898 . 1 . . . . . 48 ALA N . 52790 1
1158 . 2 . 1 49 49 GLN H H 1 7.352985094 0.01799451547 . 1 . . . . . 49 GLN H . 52790 1
1159 . 2 . 1 49 49 GLN C C 13 177.5895203 . . 1 . . . . . 49 GLN C . 52790 1
1160 . 2 . 1 49 49 GLN CA C 13 56.03829965 0.01130556501 . 1 . . . . . 49 GLN CA . 52790 1
1161 . 2 . 1 49 49 GLN CB C 13 26.43352903 0.03657995 . 1 . . . . . 49 GLN CB . 52790 1
1162 . 2 . 1 49 49 GLN N N 15 114.910781 0.0920239826 . 1 . . . . . 49 GLN N . 52790 1
1163 . 2 . 1 50 50 THR H H 1 7.489470668 0.007004756352 . 1 . . . . . 50 THR H . 52790 1
1164 . 2 . 1 50 50 THR HG21 H 1 1.391275837 0.01002565336 . 1 . . . . . 50 THR HG2# . 52790 1
1165 . 2 . 1 50 50 THR HG22 H 1 1.391275837 0.01002565336 . 1 . . . . . 50 THR HG2# . 52790 1
1166 . 2 . 1 50 50 THR HG23 H 1 1.391275837 0.01002565336 . 1 . . . . . 50 THR HG2# . 52790 1
1167 . 2 . 1 50 50 THR C C 13 177.1468857 . . 1 . . . . . 50 THR C . 52790 1
1168 . 2 . 1 50 50 THR CA C 13 64.25897006 0.01060046999 . 1 . . . . . 50 THR CA . 52790 1
1169 . 2 . 1 50 50 THR CB C 13 69.12949803 0.02801939999 . 1 . . . . . 50 THR CB . 52790 1
1170 . 2 . 1 50 50 THR CG2 C 13 22.45724726 0.03279030982 . 1 . . . . . 50 THR CG2 . 52790 1
1171 . 2 . 1 50 50 THR N N 15 107.377417 0.0693443171 . 1 . . . . . 50 THR N . 52790 1
1172 . 2 . 1 51 51 LEU H H 1 6.853551351 0.01617133842 . 1 . . . . . 51 LEU H . 52790 1
1173 . 2 . 1 51 51 LEU HD11 H 1 0.7557233451 0.005839307546 . 1 . . . . . 51 LEU HD1# . 52790 1
1174 . 2 . 1 51 51 LEU HD12 H 1 0.7557233451 0.005839307546 . 1 . . . . . 51 LEU HD1# . 52790 1
1175 . 2 . 1 51 51 LEU HD13 H 1 0.7557233451 0.005839307546 . 1 . . . . . 51 LEU HD1# . 52790 1
1176 . 2 . 1 51 51 LEU HD21 H 1 0.7448434567 0.007830233123 . 1 . . . . . 51 LEU HD2# . 52790 1
1177 . 2 . 1 51 51 LEU HD22 H 1 0.7448434567 0.007830233123 . 1 . . . . . 51 LEU HD2# . 52790 1
1178 . 2 . 1 51 51 LEU HD23 H 1 0.7448434567 0.007830233123 . 1 . . . . . 51 LEU HD2# . 52790 1
1179 . 2 . 1 51 51 LEU C C 13 176.9255683 . . 1 . . . . . 51 LEU C . 52790 1
1180 . 2 . 1 51 51 LEU CA C 13 55.60001015 0.008164129998 . 1 . . . . . 51 LEU CA . 52790 1
1181 . 2 . 1 51 51 LEU CB C 13 38.46433691 0.1291184686 . 1 . . . . . 51 LEU CB . 52790 1
1182 . 2 . 1 51 51 LEU CD1 C 13 24.77623319 0.06896553288 . 1 . . . . . 51 LEU CD1 . 52790 1
1183 . 2 . 1 51 51 LEU CD2 C 13 21.0673384 0.05073649212 . 1 . . . . . 51 LEU CD2 . 52790 1
1184 . 2 . 1 51 51 LEU N N 15 117.936697 0.055195438 . 1 . . . . . 51 LEU N . 52790 1
1185 . 2 . 1 52 52 ALA H H 1 7.076423217 0.009041065397 . 1 . . . . . 52 ALA H . 52790 1
1186 . 2 . 1 52 52 ALA HB1 H 1 1.604081217 . . 1 . . . . . 52 ALA HB# . 52790 1
1187 . 2 . 1 52 52 ALA HB2 H 1 1.604081217 . . 1 . . . . . 52 ALA HB# . 52790 1
1188 . 2 . 1 52 52 ALA HB3 H 1 1.604081217 . . 1 . . . . . 52 ALA HB# . 52790 1
1189 . 2 . 1 52 52 ALA C C 13 177.1468857 . . 1 . . . . . 52 ALA C . 52790 1
1190 . 2 . 1 52 52 ALA CA C 13 52.69929448 0.03914940499 . 1 . . . . . 52 ALA CA . 52790 1
1191 . 2 . 1 52 52 ALA CB C 13 17.04190421 0.001645560646 . 1 . . . . . 52 ALA CB . 52790 1
1192 . 2 . 1 52 52 ALA N N 15 120.1776408 0.09892618494 . 1 . . . . . 52 ALA N . 52790 1
1193 . 2 . 1 53 53 TYR H H 1 7.548918444 0.00876534485 . 1 . . . . . 53 TYR H . 52790 1
1194 . 2 . 1 53 53 TYR CA C 13 57.96384183 0.02062260998 . 1 . . . . . 53 TYR CA . 52790 1
1195 . 2 . 1 53 53 TYR CB C 13 41.47741356 0 . 1 . . . . . 53 TYR CB . 52790 1
1196 . 2 . 1 53 53 TYR N N 15 113.1958117 0.07613056898 . 1 . . . . . 53 TYR N . 52790 1
1197 . 2 . 1 54 54 ILE H H 1 7.803985447 0.007384259459 . 1 . . . . . 54 ILE H . 52790 1
1198 . 2 . 1 54 54 ILE HD11 H 1 0.4602359514 0.00697489647 . 1 . . . . . 54 ILE HD1# . 52790 1
1199 . 2 . 1 54 54 ILE HD12 H 1 0.4602359514 0.00697489647 . 1 . . . . . 54 ILE HD1# . 52790 1
1200 . 2 . 1 54 54 ILE HD13 H 1 0.4602359514 0.00697489647 . 1 . . . . . 54 ILE HD1# . 52790 1
1201 . 2 . 1 54 54 ILE CA C 13 57.44569679 . . 1 . . . . . 54 ILE CA . 52790 1
1202 . 2 . 1 54 54 ILE CB C 13 39.9432246 . . 1 . . . . . 54 ILE CB . 52790 1
1203 . 2 . 1 54 54 ILE CD1 C 13 12.11362696 0.03765579408 . 1 . . . . . 54 ILE CD1 . 52790 1
1204 . 2 . 1 54 54 ILE N N 15 119.2459496 0.1178924788 . 1 . . . . . 54 ILE N . 52790 1
1205 . 2 . 1 55 55 PRO C C 13 176.9698318 . . 1 . . . . . 55 PRO C . 52790 1
1206 . 2 . 1 55 55 PRO CA C 13 63.230485 . . 1 . . . . . 55 PRO CA . 52790 1
1207 . 2 . 1 55 55 PRO CB C 13 32.0480452 . . 1 . . . . . 55 PRO CB . 52790 1
1208 . 2 . 1 56 56 THR H H 1 9.095306502 0.01302810055 . 1 . . . . . 56 THR H . 52790 1
1209 . 2 . 1 56 56 THR HG21 H 1 0.9648961704 0.003349012403 . 1 . . . . . 56 THR HG2# . 52790 1
1210 . 2 . 1 56 56 THR HG22 H 1 0.9648961704 0.003349012403 . 1 . . . . . 56 THR HG2# . 52790 1
1211 . 2 . 1 56 56 THR HG23 H 1 0.9648961704 0.003349012403 . 1 . . . . . 56 THR HG2# . 52790 1
1212 . 2 . 1 56 56 THR C C 13 175.9960355 . . 1 . . . . . 56 THR C . 52790 1
1213 . 2 . 1 56 56 THR CA C 13 66.94967869 0.03914940499 . 1 . . . . . 56 THR CA . 52790 1
1214 . 2 . 1 56 56 THR CB C 13 68.4374386 0 . 1 . . . . . 56 THR CB . 52790 1
1215 . 2 . 1 56 56 THR CG2 C 13 20.52616699 0.04320503475 . 1 . . . . . 56 THR CG2 . 52790 1
1216 . 2 . 1 56 56 THR N N 15 124.0604357 0.1252903141 . 1 . . . . . 56 THR N . 52790 1
1217 . 2 . 1 57 57 GLY H H 1 9.923861517 0.01133290636 . 1 . . . . . 57 GLY H . 52790 1
1218 . 2 . 1 57 57 GLY C C 13 175.28782 . . 1 . . . . . 57 GLY C . 52790 1
1219 . 2 . 1 57 57 GLY CA C 13 46.78773399 0 . 1 . . . . . 57 GLY CA . 52790 1
1220 . 2 . 1 57 57 GLY N N 15 106.6525389 0.09140975217 . 1 . . . . . 57 GLY N . 52790 1
1221 . 2 . 1 58 58 ILE H H 1 6.480337543 0.01221796297 . 1 . . . . . 58 ILE H . 52790 1
1222 . 2 . 1 58 58 ILE HD11 H 1 0.8465338522 0.006976687687 . 1 . . . . . 58 ILE HD1# . 52790 1
1223 . 2 . 1 58 58 ILE HD12 H 1 0.8465338522 0.006976687687 . 1 . . . . . 58 ILE HD1# . 52790 1
1224 . 2 . 1 58 58 ILE HD13 H 1 0.8465338522 0.006976687687 . 1 . . . . . 58 ILE HD1# . 52790 1
1225 . 2 . 1 58 58 ILE C C 13 176.7927779 . . 1 . . . . . 58 ILE C . 52790 1
1226 . 2 . 1 58 58 ILE CA C 13 63.54368026 0 . 1 . . . . . 58 ILE CA . 52790 1
1227 . 2 . 1 58 58 ILE CB C 13 36.69632538 0 . 1 . . . . . 58 ILE CB . 52790 1
1228 . 2 . 1 58 58 ILE CD1 C 13 11.77251391 0.02999174877 . 1 . . . . . 58 ILE CD1 . 52790 1
1229 . 2 . 1 58 58 ILE N N 15 117.8743709 0.1002732488 . 1 . . . . . 58 ILE N . 52790 1
1230 . 2 . 1 59 59 ALA H H 1 8.324184106 0.009548672706 . 1 . . . . . 59 ALA H . 52790 1
1231 . 2 . 1 59 59 ALA HB1 H 1 1.221895419 0.008654661296 . 1 . . . . . 59 ALA HB# . 52790 1
1232 . 2 . 1 59 59 ALA HB2 H 1 1.221895419 0.008654661296 . 1 . . . . . 59 ALA HB# . 52790 1
1233 . 2 . 1 59 59 ALA HB3 H 1 1.221895419 0.008654661296 . 1 . . . . . 59 ALA HB# . 52790 1
1234 . 2 . 1 59 59 ALA C C 13 178.784634 . . 1 . . . . . 59 ALA C . 52790 1
1235 . 2 . 1 59 59 ALA CA C 13 55.47383535 0.005067030048 . 1 . . . . . 59 ALA CA . 52790 1
1236 . 2 . 1 59 59 ALA CB C 13 17.19698715 0.07440078915 . 1 . . . . . 59 ALA CB . 52790 1
1237 . 2 . 1 59 59 ALA N N 15 121.8499746 0.0728730593 . 1 . . . . . 59 ALA N . 52790 1
1238 . 2 . 1 60 60 TYR H H 1 8.365644286 0.01537005877 . 1 . . . . . 60 TYR H . 52790 1
1239 . 2 . 1 60 60 TYR C C 13 176.8813048 . . 1 . . . . . 60 TYR C . 52790 1
1240 . 2 . 1 60 60 TYR CA C 13 62.45911444 0.003557799982 . 1 . . . . . 60 TYR CA . 52790 1
1241 . 2 . 1 60 60 TYR CB C 13 38.99683237 0.042770905 . 1 . . . . . 60 TYR CB . 52790 1
1242 . 2 . 1 60 60 TYR N N 15 115.8418796 0.1048165963 . 1 . . . . . 60 TYR N . 52790 1
1243 . 2 . 1 61 61 ALA H H 1 8.049080331 0.009714023844 . 1 . . . . . 61 ALA H . 52790 1
1244 . 2 . 1 61 61 ALA HB1 H 1 1.594994961 0.0095853195 . 1 . . . . . 61 ALA HB# . 52790 1
1245 . 2 . 1 61 61 ALA HB2 H 1 1.594994961 0.0095853195 . 1 . . . . . 61 ALA HB# . 52790 1
1246 . 2 . 1 61 61 ALA HB3 H 1 1.594994961 0.0095853195 . 1 . . . . . 61 ALA HB# . 52790 1
1247 . 2 . 1 61 61 ALA C C 13 179.9354842 . . 1 . . . . . 61 ALA C . 52790 1
1248 . 2 . 1 61 61 ALA CA C 13 55.11731638 0.029908075 . 1 . . . . . 61 ALA CA . 52790 1
1249 . 2 . 1 61 61 ALA CB C 13 17.48198485 0.06449619355 . 1 . . . . . 61 ALA CB . 52790 1
1250 . 2 . 1 61 61 ALA N N 15 118.3900925 0.05982141029 . 1 . . . . . 61 ALA N . 52790 1
1251 . 2 . 1 62 62 ILE H H 1 8.51414073 0.01340279133 . 1 . . . . . 62 ILE H . 52790 1
1252 . 2 . 1 62 62 ILE HD11 H 1 0.8982446585 0.01385336673 . 1 . . . . . 62 ILE HD1# . 52790 1
1253 . 2 . 1 62 62 ILE HD12 H 1 0.8982446585 0.01385336673 . 1 . . . . . 62 ILE HD1# . 52790 1
1254 . 2 . 1 62 62 ILE HD13 H 1 0.8982446585 0.01385336673 . 1 . . . . . 62 ILE HD1# . 52790 1
1255 . 2 . 1 62 62 ILE C C 13 176.9255683 . . 1 . . . . . 62 ILE C . 52790 1
1256 . 2 . 1 62 62 ILE CA C 13 65.93896593 0.03197758001 . 1 . . . . . 62 ILE CA . 52790 1
1257 . 2 . 1 62 62 ILE CB C 13 36.95765228 0.004289109976 . 1 . . . . . 62 ILE CB . 52790 1
1258 . 2 . 1 62 62 ILE CD1 C 13 12.74959543 0.07575602699 . 1 . . . . . 62 ILE CD1 . 52790 1
1259 . 2 . 1 62 62 ILE N N 15 117.0989643 0.09988657754 . 1 . . . . . 62 ILE N . 52790 1
1260 . 2 . 1 63 63 TRP H H 1 8.41294715 0.09745069397 . 1 . . . . . 63 TRP H . 52790 1
1261 . 2 . 1 63 63 TRP HE1 H 1 8.693296884 0.007289041603 . 1 . . . . . 63 TRP HE1 . 52790 1
1262 . 2 . 1 63 63 TRP C C 13 180.2453285 . . 1 . . . . . 63 TRP C . 52790 1
1263 . 2 . 1 63 63 TRP CA C 13 61.0381182 0 . 1 . . . . . 63 TRP CA . 52790 1
1264 . 2 . 1 63 63 TRP CB C 13 28.11231452 0.048509465 . 1 . . . . . 63 TRP CB . 52790 1
1265 . 2 . 1 63 63 TRP N N 15 121.8515112 0.08143483057 . 1 . . . . . 63 TRP N . 52790 1
1266 . 2 . 1 63 63 TRP NE1 N 15 126.135244 0.06981512442 . 1 . . . . . 63 TRP NE1 . 52790 1
1267 . 2 . 1 64 64 VAL H H 1 8.659664947 0.009564187139 . 1 . . . . . 64 VAL H . 52790 1
1268 . 2 . 1 64 64 VAL HG11 H 1 0.861813026 0.005070076824 . 1 . . . . . 64 VAL HG1# . 52790 1
1269 . 2 . 1 64 64 VAL HG12 H 1 0.861813026 0.005070076824 . 1 . . . . . 64 VAL HG1# . 52790 1
1270 . 2 . 1 64 64 VAL HG13 H 1 0.861813026 0.005070076824 . 1 . . . . . 64 VAL HG1# . 52790 1
1271 . 2 . 1 64 64 VAL HG21 H 1 0.8727092096 0.006187925528 . 1 . . . . . 64 VAL HG2# . 52790 1
1272 . 2 . 1 64 64 VAL HG22 H 1 0.8727092096 0.006187925528 . 1 . . . . . 64 VAL HG2# . 52790 1
1273 . 2 . 1 64 64 VAL HG23 H 1 0.8727092096 0.006187925528 . 1 . . . . . 64 VAL HG2# . 52790 1
1274 . 2 . 1 64 64 VAL C C 13 177.9878916 . . 1 . . . . . 64 VAL C . 52790 1
1275 . 2 . 1 64 64 VAL CA C 13 64.53055159 0.04955997282 . 1 . . . . . 64 VAL CA . 52790 1
1276 . 2 . 1 64 64 VAL CB C 13 31.37022831 0.02863981224 . 1 . . . . . 64 VAL CB . 52790 1
1277 . 2 . 1 64 64 VAL CG1 C 13 20.6921151 0.07583879651 . 1 . . . . . 64 VAL CG1 . 52790 1
1278 . 2 . 1 64 64 VAL CG2 C 13 21.41176571 0.07462153788 . 1 . . . . . 64 VAL CG2 . 52790 1
1279 . 2 . 1 64 64 VAL N N 15 120.3040901 0.07536979062 . 1 . . . . . 64 VAL N . 52790 1
1280 . 2 . 1 65 65 GLY H H 1 8.616571717 0.015945845 . 1 . . . . . 65 GLY H . 52790 1
1281 . 2 . 1 65 65 GLY C C 13 175.1550296 . . 1 . . . . . 65 GLY C . 52790 1
1282 . 2 . 1 65 65 GLY CA C 13 47.10092925 0 . 1 . . . . . 65 GLY CA . 52790 1
1283 . 2 . 1 65 65 GLY N N 15 108.1289932 0.08412387986 . 1 . . . . . 65 GLY N . 52790 1
1284 . 2 . 1 66 66 VAL H H 1 9.046963812 0.0251349911 . 1 . . . . . 66 VAL H . 52790 1
1285 . 2 . 1 66 66 VAL HG11 H 1 0.9321111742 0.007166369071 . 1 . . . . . 66 VAL HG1# . 52790 1
1286 . 2 . 1 66 66 VAL HG12 H 1 0.9321111742 0.007166369071 . 1 . . . . . 66 VAL HG1# . 52790 1
1287 . 2 . 1 66 66 VAL HG13 H 1 0.9321111742 0.007166369071 . 1 . . . . . 66 VAL HG1# . 52790 1
1288 . 2 . 1 66 66 VAL HG21 H 1 1.023296682 0.006958087465 . 1 . . . . . 66 VAL HG2# . 52790 1
1289 . 2 . 1 66 66 VAL HG22 H 1 1.023296682 0.006958087465 . 1 . . . . . 66 VAL HG2# . 52790 1
1290 . 2 . 1 66 66 VAL HG23 H 1 1.023296682 0.006958087465 . 1 . . . . . 66 VAL HG2# . 52790 1
1291 . 2 . 1 66 66 VAL C C 13 177.8993646 . . 1 . . . . . 66 VAL C . 52790 1
1292 . 2 . 1 66 66 VAL CA C 13 66.20113629 0.09031915841 . 1 . . . . . 66 VAL CA . 52790 1
1293 . 2 . 1 66 66 VAL CB C 13 29.21529481 0.08189825012 . 1 . . . . . 66 VAL CB . 52790 1
1294 . 2 . 1 66 66 VAL CG1 C 13 21.7418699 0.07333706493 . 1 . . . . . 66 VAL CG1 . 52790 1
1295 . 2 . 1 66 66 VAL CG2 C 13 24.52004075 0.05769215485 . 1 . . . . . 66 VAL CG2 . 52790 1
1296 . 2 . 1 66 66 VAL N N 15 120.1501112 0.1034975273 . 1 . . . . . 66 VAL N . 52790 1
1297 . 2 . 1 67 67 GLY H H 1 7.034538198 0.01000353712 . 1 . . . . . 67 GLY H . 52790 1
1298 . 2 . 1 67 67 GLY C C 13 174.535341 . . 1 . . . . . 67 GLY C . 52790 1
1299 . 2 . 1 67 67 GLY CA C 13 47.25752688 0 . 1 . . . . . 67 GLY CA . 52790 1
1300 . 2 . 1 67 67 GLY N N 15 106.4448953 0.0728773123 . 1 . . . . . 67 GLY N . 52790 1
1301 . 2 . 1 68 68 ILE H H 1 7.894989224 0.01579054952 . 1 . . . . . 68 ILE H . 52790 1
1302 . 2 . 1 68 68 ILE HD11 H 1 0.8758278452 0.009665126662 . 1 . . . . . 68 ILE HD1# . 52790 1
1303 . 2 . 1 68 68 ILE HD12 H 1 0.8758278452 0.009665126662 . 1 . . . . . 68 ILE HD1# . 52790 1
1304 . 2 . 1 68 68 ILE HD13 H 1 0.8758278452 0.009665126662 . 1 . . . . . 68 ILE HD1# . 52790 1
1305 . 2 . 1 68 68 ILE C C 13 178.9174244 . . 1 . . . . . 68 ILE C . 52790 1
1306 . 2 . 1 68 68 ILE CA C 13 64.48520634 0.001940304947 . 1 . . . . . 68 ILE CA . 52790 1
1307 . 2 . 1 68 68 ILE CB C 13 36.67960524 0.016720135 . 1 . . . . . 68 ILE CB . 52790 1
1308 . 2 . 1 68 68 ILE CD1 C 13 13.8074904 0.04270693869 . 1 . . . . . 68 ILE CD1 . 52790 1
1309 . 2 . 1 68 68 ILE N N 15 120.8987287 0.07191573728 . 1 . . . . . 68 ILE N . 52790 1
1310 . 2 . 1 69 69 VAL H H 1 7.716712796 0.01686976545 . 1 . . . . . 69 VAL H . 52790 1
1311 . 2 . 1 69 69 VAL HG11 H 1 0.8428274846 0.009181419657 . 1 . . . . . 69 VAL HG1# . 52790 1
1312 . 2 . 1 69 69 VAL HG12 H 1 0.8428274846 0.009181419657 . 1 . . . . . 69 VAL HG1# . 52790 1
1313 . 2 . 1 69 69 VAL HG13 H 1 0.8428274846 0.009181419657 . 1 . . . . . 69 VAL HG1# . 52790 1
1314 . 2 . 1 69 69 VAL HG21 H 1 1.127529869 0.005728169681 . 1 . . . . . 69 VAL HG2# . 52790 1
1315 . 2 . 1 69 69 VAL HG22 H 1 1.127529869 0.005728169681 . 1 . . . . . 69 VAL HG2# . 52790 1
1316 . 2 . 1 69 69 VAL HG23 H 1 1.127529869 0.005728169681 . 1 . . . . . 69 VAL HG2# . 52790 1
1317 . 2 . 1 69 69 VAL C C 13 177.0583587 . . 1 . . . . . 69 VAL C . 52790 1
1318 . 2 . 1 69 69 VAL CA C 13 67.04575819 0.04483931785 . 1 . . . . . 69 VAL CA . 52790 1
1319 . 2 . 1 69 69 VAL CB C 13 30.73331147 0.0518025318 . 1 . . . . . 69 VAL CB . 52790 1
1320 . 2 . 1 69 69 VAL CG1 C 13 20.27522097 0.07241252454 . 1 . . . . . 69 VAL CG1 . 52790 1
1321 . 2 . 1 69 69 VAL CG2 C 13 23.52129061 0.0467679078 . 1 . . . . . 69 VAL CG2 . 52790 1
1322 . 2 . 1 69 69 VAL N N 15 122.3274755 0.1181439795 . 1 . . . . . 69 VAL N . 52790 1
1323 . 2 . 1 70 70 LEU H H 1 8.244779467 0.01939363052 . 1 . . . . . 70 LEU H . 52790 1
1324 . 2 . 1 70 70 LEU HD11 H 1 0.7990788048 0.008292633972 . 1 . . . . . 70 LEU HD1# . 52790 1
1325 . 2 . 1 70 70 LEU HD12 H 1 0.7990788048 0.008292633972 . 1 . . . . . 70 LEU HD1# . 52790 1
1326 . 2 . 1 70 70 LEU HD13 H 1 0.7990788048 0.008292633972 . 1 . . . . . 70 LEU HD1# . 52790 1
1327 . 2 . 1 70 70 LEU HD21 H 1 0.7880452969 0.009319923582 . 1 . . . . . 70 LEU HD2# . 52790 1
1328 . 2 . 1 70 70 LEU HD22 H 1 0.7880452969 0.009319923582 . 1 . . . . . 70 LEU HD2# . 52790 1
1329 . 2 . 1 70 70 LEU HD23 H 1 0.7880452969 0.009319923582 . 1 . . . . . 70 LEU HD2# . 52790 1
1330 . 2 . 1 70 70 LEU C C 13 179.0502148 . . 1 . . . . . 70 LEU C . 52790 1
1331 . 2 . 1 70 70 LEU CA C 13 57.90769656 0.001530924888 . 1 . . . . . 70 LEU CA . 52790 1
1332 . 2 . 1 70 70 LEU CB C 13 40.97623027 0.1285774014 . 1 . . . . . 70 LEU CB . 52790 1
1333 . 2 . 1 70 70 LEU CD1 C 13 24.82257046 0.07725771566 . 1 . . . . . 70 LEU CD1 . 52790 1
1334 . 2 . 1 70 70 LEU CD2 C 13 21.94605386 0.06487610008 . 1 . . . . . 70 LEU CD2 . 52790 1
1335 . 2 . 1 70 70 LEU N N 15 117.4547266 0.096490693 . 1 . . . . . 70 LEU N . 52790 1
1336 . 2 . 1 71 71 ILE H H 1 8.637286206 0.18371779 . 1 . . . . . 71 ILE H . 52790 1
1337 . 2 . 1 71 71 ILE HD11 H 1 0.7863347379 0.006772232676 . 1 . . . . . 71 ILE HD1# . 52790 1
1338 . 2 . 1 71 71 ILE HD12 H 1 0.7863347379 0.006772232676 . 1 . . . . . 71 ILE HD1# . 52790 1
1339 . 2 . 1 71 71 ILE HD13 H 1 0.7863347379 0.006772232676 . 1 . . . . . 71 ILE HD1# . 52790 1
1340 . 2 . 1 71 71 ILE C C 13 178.784634 . . 1 . . . . . 71 ILE C . 52790 1
1341 . 2 . 1 71 71 ILE CA C 13 64.44840607 0.008135110017 . 1 . . . . . 71 ILE CA . 52790 1
1342 . 2 . 1 71 71 ILE CB C 13 36.69632538 0 . 1 . . . . . 71 ILE CB . 52790 1
1343 . 2 . 1 71 71 ILE CD1 C 13 12.43390548 0.03449889596 . 1 . . . . . 71 ILE CD1 . 52790 1
1344 . 2 . 1 71 71 ILE N N 15 119.5194767 0.07280669219 . 1 . . . . . 71 ILE N . 52790 1
1345 . 2 . 1 72 72 SER H H 1 8.040853699 0.005204380017 . 1 . . . . . 72 SER H . 52790 1
1346 . 2 . 1 72 72 SER C C 13 176.4829336 . . 1 . . . . . 72 SER C . 52790 1
1347 . 2 . 1 72 72 SER CA C 13 62.87409609 0.03510516 . 1 . . . . . 72 SER CA . 52790 1
1348 . 2 . 1 72 72 SER CB C 13 62.4844522 0.023373835 . 1 . . . . . 72 SER CB . 52790 1
1349 . 2 . 1 72 72 SER N N 15 119.1721159 0.07491975096 . 1 . . . . . 72 SER N . 52790 1
1350 . 2 . 1 73 73 LEU H H 1 8.140020508 0.01098823728 . 1 . . . . . 73 LEU H . 52790 1
1351 . 2 . 1 73 73 LEU HD11 H 1 0.8150700191 0.001493967829 . 1 . . . . . 73 LEU HD1# . 52790 1
1352 . 2 . 1 73 73 LEU HD12 H 1 0.8150700191 0.001493967829 . 1 . . . . . 73 LEU HD1# . 52790 1
1353 . 2 . 1 73 73 LEU HD13 H 1 0.8150700191 0.001493967829 . 1 . . . . . 73 LEU HD1# . 52790 1
1354 . 2 . 1 73 73 LEU HD21 H 1 0.7566563822 0.00277988598 . 1 . . . . . 73 LEU HD2# . 52790 1
1355 . 2 . 1 73 73 LEU HD22 H 1 0.7566563822 0.00277988598 . 1 . . . . . 73 LEU HD2# . 52790 1
1356 . 2 . 1 73 73 LEU HD23 H 1 0.7566563822 0.00277988598 . 1 . . . . . 73 LEU HD2# . 52790 1
1357 . 2 . 1 73 73 LEU C C 13 179.3600591 . . 1 . . . . . 73 LEU C . 52790 1
1358 . 2 . 1 73 73 LEU CA C 13 57.90094517 . . 1 . . . . . 73 LEU CA . 52790 1
1359 . 2 . 1 73 73 LEU CB C 13 41.34366878 . . 1 . . . . . 73 LEU CB . 52790 1
1360 . 2 . 1 73 73 LEU CD1 C 13 24.89873746 0.03278246995 . 1 . . . . . 73 LEU CD1 . 52790 1
1361 . 2 . 1 73 73 LEU CD2 C 13 22.30547176 0.05584688668 . 1 . . . . . 73 LEU CD2 . 52790 1
1362 . 2 . 1 73 73 LEU N N 15 121.1578267 0.07671124923 . 1 . . . . . 73 LEU N . 52790 1
1363 . 2 . 1 74 74 LEU H H 1 8.680032924 0.008861799543 . 1 . . . . . 74 LEU H . 52790 1
1364 . 2 . 1 74 74 LEU HD11 H 1 0.8137060289 0.005708251843 . 1 . . . . . 74 LEU HD1# . 52790 1
1365 . 2 . 1 74 74 LEU HD12 H 1 0.8137060289 0.005708251843 . 1 . . . . . 74 LEU HD1# . 52790 1
1366 . 2 . 1 74 74 LEU HD13 H 1 0.8137060289 0.005708251843 . 1 . . . . . 74 LEU HD1# . 52790 1
1367 . 2 . 1 74 74 LEU HD21 H 1 0.859923683 0.008693936562 . 1 . . . . . 74 LEU HD2# . 52790 1
1368 . 2 . 1 74 74 LEU HD22 H 1 0.859923683 0.008693936562 . 1 . . . . . 74 LEU HD2# . 52790 1
1369 . 2 . 1 74 74 LEU HD23 H 1 0.859923683 0.008693936562 . 1 . . . . . 74 LEU HD2# . 52790 1
1370 . 2 . 1 74 74 LEU C C 13 179.3600591 . . 1 . . . . . 74 LEU C . 52790 1
1371 . 2 . 1 74 74 LEU CA C 13 57.98446444 0 . 1 . . . . . 74 LEU CA . 52790 1
1372 . 2 . 1 74 74 LEU CB C 13 41.12781721 0.1423148814 . 1 . . . . . 74 LEU CB . 52790 1
1373 . 2 . 1 74 74 LEU CD1 C 13 24.53208508 0.03037251027 . 1 . . . . . 74 LEU CD1 . 52790 1
1374 . 2 . 1 74 74 LEU CD2 C 13 23.59193668 0.03726955962 . 1 . . . . . 74 LEU CD2 . 52790 1
1375 . 2 . 1 74 74 LEU N N 15 120.0783654 0.07873160012 . 1 . . . . . 74 LEU N . 52790 1
1376 . 2 . 1 75 75 SER H H 1 8.534279733 0.009448048829 . 1 . . . . . 75 SER H . 52790 1
1377 . 2 . 1 75 75 SER C C 13 176.615724 . . 1 . . . . . 75 SER C . 52790 1
1378 . 2 . 1 75 75 SER CA C 13 62.1343016 0 . 1 . . . . . 75 SER CA . 52790 1
1379 . 2 . 1 75 75 SER CB C 13 63.23879206 . . 1 . . . . . 75 SER CB . 52790 1
1380 . 2 . 1 75 75 SER N N 15 117.0328392 0.06667805832 . 1 . . . . . 75 SER N . 52790 1
1381 . 2 . 1 76 76 TRP H H 1 7.831538048 0.01447612292 . 1 . . . . . 76 TRP H . 52790 1
1382 . 2 . 1 76 76 TRP HE1 H 1 10.21987105 0.02396338193 . 1 . . . . . 76 TRP HE1 . 52790 1
1383 . 2 . 1 76 76 TRP C C 13 177.9436281 . . 1 . . . . . 76 TRP C . 52790 1
1384 . 2 . 1 76 76 TRP CA C 13 58.96319962 0.03914941 . 1 . . . . . 76 TRP CA . 52790 1
1385 . 2 . 1 76 76 TRP CB C 13 28.46222906 0 . 1 . . . . . 76 TRP CB . 52790 1
1386 . 2 . 1 76 76 TRP N N 15 124.3716545 0.1331471425 . 1 . . . . . 76 TRP N . 52790 1
1387 . 2 . 1 76 76 TRP NE1 N 15 130.6361452 0.1198583107 . 1 . . . . . 76 TRP NE1 . 52790 1
1388 . 2 . 1 77 77 GLY H H 1 8.717687353 0.05017092849 . 1 . . . . . 77 GLY H . 52790 1
1389 . 2 . 1 77 77 GLY C C 13 173.6058081 . . 1 . . . . . 77 GLY C . 52790 1
1390 . 2 . 1 77 77 GLY CA C 13 46.70943518 0 . 1 . . . . . 77 GLY CA . 52790 1
1391 . 2 . 1 77 77 GLY N N 15 105.3301088 0.04531886584 . 1 . . . . . 77 GLY N . 52790 1
1392 . 2 . 1 78 78 PHE H H 1 8.22873206 0.01977133241 . 1 . . . . . 78 PHE H . 52790 1
1393 . 2 . 1 78 78 PHE C C 13 176.1288259 . . 1 . . . . . 78 PHE C . 52790 1
1394 . 2 . 1 78 78 PHE CA C 13 58.29275662 0.004903084983 . 1 . . . . . 78 PHE CA . 52790 1
1395 . 2 . 1 78 78 PHE CB C 13 40.01645195 0.00007355976 . 1 . . . . . 78 PHE CB . 52790 1
1396 . 2 . 1 78 78 PHE N N 15 113.4982824 0.1405778079 . 1 . . . . . 78 PHE N . 52790 1
1397 . 2 . 1 79 79 PHE H H 1 7.197314012 0.007999705767 . 1 . . . . . 79 PHE H . 52790 1
1398 . 2 . 1 79 79 PHE C C 13 176.9255683 . . 1 . . . . . 79 PHE C . 52790 1
1399 . 2 . 1 79 79 PHE CA C 13 56.64470696 0.008677644982 . 1 . . . . . 79 PHE CA . 52790 1
1400 . 2 . 1 79 79 PHE CB C 13 38.78578918 0.035464275 . 1 . . . . . 79 PHE CB . 52790 1
1401 . 2 . 1 79 79 PHE N N 15 114.092136 0.06326848851 . 1 . . . . . 79 PHE N . 52790 1
1402 . 2 . 1 80 80 GLY H H 1 7.919327095 0.01391809816 . 1 . . . . . 80 GLY H . 52790 1
1403 . 2 . 1 80 80 GLY C C 13 174.6681314 . . 1 . . . . . 80 GLY C . 52790 1
1404 . 2 . 1 80 80 GLY CA C 13 46.39623992 0 . 1 . . . . . 80 GLY CA . 52790 1
1405 . 2 . 1 80 80 GLY N N 15 108.8970974 0.08043354397 . 1 . . . . . 80 GLY N . 52790 1
1406 . 2 . 1 81 81 GLN H H 1 7.771542538 0.03353541656 . 1 . . . . . 81 GLN H . 52790 1
1407 . 2 . 1 81 81 GLN C C 13 174.9779757 . . 1 . . . . . 81 GLN C . 52790 1
1408 . 2 . 1 81 81 GLN CA C 13 55.01730303 0.008193530006 . 1 . . . . . 81 GLN CA . 52790 1
1409 . 2 . 1 81 81 GLN CB C 13 28.34529736 0.015876295 . 1 . . . . . 81 GLN CB . 52790 1
1410 . 2 . 1 81 81 GLN N N 15 120.4329574 0.06953728509 . 1 . . . . . 81 GLN N . 52790 1
1411 . 2 . 1 82 82 ARG H H 1 8.248993621 0.01125255549 . 1 . . . . . 82 ARG H . 52790 1
1412 . 2 . 1 82 82 ARG C C 13 176.5271971 . . 1 . . . . . 82 ARG C . 52790 1
1413 . 2 . 1 82 82 ARG CA C 13 55.81733987 0.01939156513 . 1 . . . . . 82 ARG CA . 52790 1
1414 . 2 . 1 82 82 ARG CB C 13 30.05728878 0.02699069548 . 1 . . . . . 82 ARG CB . 52790 1
1415 . 2 . 1 82 82 ARG N N 15 123.8834152 0.2514292204 . 1 . . . . . 82 ARG N . 52790 1
1416 . 2 . 1 83 83 LEU H H 1 8.053360891 0.01376253542 . 1 . . . . . 83 LEU H . 52790 1
1417 . 2 . 1 83 83 LEU HD11 H 1 0.3121092787 0.007226998319 . 1 . . . . . 83 LEU HD1# . 52790 1
1418 . 2 . 1 83 83 LEU HD12 H 1 0.3121092787 0.007226998319 . 1 . . . . . 83 LEU HD1# . 52790 1
1419 . 2 . 1 83 83 LEU HD13 H 1 0.3121092787 0.007226998319 . 1 . . . . . 83 LEU HD1# . 52790 1
1420 . 2 . 1 83 83 LEU HD21 H 1 0.6195458683 0.01105005076 . 1 . . . . . 83 LEU HD2# . 52790 1
1421 . 2 . 1 83 83 LEU HD22 H 1 0.6195458683 0.01105005076 . 1 . . . . . 83 LEU HD2# . 52790 1
1422 . 2 . 1 83 83 LEU HD23 H 1 0.6195458683 0.01105005076 . 1 . . . . . 83 LEU HD2# . 52790 1
1423 . 2 . 1 83 83 LEU C C 13 174.5796045 . . 1 . . . . . 83 LEU C . 52790 1
1424 . 2 . 1 83 83 LEU CA C 13 53.76109503 0.006740931599 . 1 . . . . . 83 LEU CA . 52790 1
1425 . 2 . 1 83 83 LEU CB C 13 41.81836651 0.1062074386 . 1 . . . . . 83 LEU CB . 52790 1
1426 . 2 . 1 83 83 LEU CD1 C 13 24.36267971 0.05588274151 . 1 . . . . . 83 LEU CD1 . 52790 1
1427 . 2 . 1 83 83 LEU CD2 C 13 22.34159154 0.1297727652 . 1 . . . . . 83 LEU CD2 . 52790 1
1428 . 2 . 1 83 83 LEU N N 15 124.3081279 0.07333272286 . 1 . . . . . 83 LEU N . 52790 1
1429 . 2 . 1 84 84 ASP H H 1 7.487157556 0.01664815536 . 1 . . . . . 84 ASP H . 52790 1
1430 . 2 . 1 84 84 ASP C C 13 175.3672533 . . 1 . . . . . 84 ASP C . 52790 1
1431 . 2 . 1 84 84 ASP CA C 13 51.07617564 0.01799313998 . 1 . . . . . 84 ASP CA . 52790 1
1432 . 2 . 1 84 84 ASP CB C 13 41.80506434 0.06203477 . 1 . . . . . 84 ASP CB . 52790 1
1433 . 2 . 1 84 84 ASP N N 15 120.4344415 0.09135619759 . 1 . . . . . 84 ASP N . 52790 1
1434 . 2 . 1 85 85 LEU H H 1 8.721083812 0.01104766877 . 1 . . . . . 85 LEU H . 52790 1
1435 . 2 . 1 85 85 LEU HD11 H 1 0.9543376583 0.004905976399 . 1 . . . . . 85 LEU HD1# . 52790 1
1436 . 2 . 1 85 85 LEU HD12 H 1 0.9543376583 0.004905976399 . 1 . . . . . 85 LEU HD1# . 52790 1
1437 . 2 . 1 85 85 LEU HD13 H 1 0.9543376583 0.004905976399 . 1 . . . . . 85 LEU HD1# . 52790 1
1438 . 2 . 1 85 85 LEU HD21 H 1 0.9210652742 0.006875950188 . 1 . . . . . 85 LEU HD2# . 52790 1
1439 . 2 . 1 85 85 LEU HD22 H 1 0.9210652742 0.006875950188 . 1 . . . . . 85 LEU HD2# . 52790 1
1440 . 2 . 1 85 85 LEU HD23 H 1 0.9210652742 0.006875950188 . 1 . . . . . 85 LEU HD2# . 52790 1
1441 . 2 . 1 85 85 LEU CA C 13 59.32951836 . . 1 . . . . . 85 LEU CA . 52790 1
1442 . 2 . 1 85 85 LEU CB C 13 38.02924724 0.1279661903 . 1 . . . . . 85 LEU CB . 52790 1
1443 . 2 . 1 85 85 LEU CD1 C 13 23.23918056 0.04352312917 . 1 . . . . . 85 LEU CD1 . 52790 1
1444 . 2 . 1 85 85 LEU CD2 C 13 24.16067899 0.04339671742 . 1 . . . . . 85 LEU CD2 . 52790 1
1445 . 2 . 1 85 85 LEU N N 15 118.725182 0.09628602332 . 1 . . . . . 85 LEU N . 52790 1
1446 . 2 . 1 86 86 PRO C C 13 177.8551012 . . 1 . . . . . 86 PRO C . 52790 1
1447 . 2 . 1 86 86 PRO CA C 13 66.12754113 . . 1 . . . . . 86 PRO CA . 52790 1
1448 . 2 . 1 86 86 PRO CB C 13 30.76625931 . . 1 . . . . . 86 PRO CB . 52790 1
1449 . 2 . 1 87 87 ALA H H 1 7.494767342 0.007546866992 . 1 . . . . . 87 ALA H . 52790 1
1450 . 2 . 1 87 87 ALA HB1 H 1 1.614442889 0.00605833366 . 1 . . . . . 87 ALA HB# . 52790 1
1451 . 2 . 1 87 87 ALA HB2 H 1 1.614442889 0.00605833366 . 1 . . . . . 87 ALA HB# . 52790 1
1452 . 2 . 1 87 87 ALA HB3 H 1 1.614442889 0.00605833366 . 1 . . . . . 87 ALA HB# . 52790 1
1453 . 2 . 1 87 87 ALA C C 13 179.3816015 . . 1 . . . . . 87 ALA C . 52790 1
1454 . 2 . 1 87 87 ALA CA C 13 55.39686054 0.003743035016 . 1 . . . . . 87 ALA CA . 52790 1
1455 . 2 . 1 87 87 ALA CB C 13 17.30006137 0.04028046395 . 1 . . . . . 87 ALA CB . 52790 1
1456 . 2 . 1 87 87 ALA N N 15 117.6798298 0.07897548746 . 1 . . . . . 87 ALA N . 52790 1
1457 . 2 . 1 88 88 ILE H H 1 7.948773038 0.01003183023 . 1 . . . . . 88 ILE H . 52790 1
1458 . 2 . 1 88 88 ILE HD11 H 1 0.6283724835 0.006026458194 . 1 . . . . . 88 ILE HD1# . 52790 1
1459 . 2 . 1 88 88 ILE HD12 H 1 0.6283724835 0.006026458194 . 1 . . . . . 88 ILE HD1# . 52790 1
1460 . 2 . 1 88 88 ILE HD13 H 1 0.6283724835 0.006026458194 . 1 . . . . . 88 ILE HD1# . 52790 1
1461 . 2 . 1 88 88 ILE CD1 C 13 11.8502778 0.03906569682 . 1 . . . . . 88 ILE CD1 . 52790 1
1462 . 2 . 1 88 88 ILE N N 15 117.978629 0.06160681622 . 1 . . . . . 88 ILE N . 52790 1
1463 . 2 . 1 89 89 ILE H H 1 8.674946479 0.0128486331 . 1 . . . . . 89 ILE H . 52790 1
1464 . 2 . 1 89 89 ILE HD11 H 1 0.7333084945 0.006631596542 . 1 . . . . . 89 ILE HD1# . 52790 1
1465 . 2 . 1 89 89 ILE HD12 H 1 0.7333084945 0.006631596542 . 1 . . . . . 89 ILE HD1# . 52790 1
1466 . 2 . 1 89 89 ILE HD13 H 1 0.7333084945 0.006631596542 . 1 . . . . . 89 ILE HD1# . 52790 1
1467 . 2 . 1 89 89 ILE C C 13 178.4304963 . . 1 . . . . . 89 ILE C . 52790 1
1468 . 2 . 1 89 89 ILE CA C 13 64.44628222 . . 1 . . . . . 89 ILE CA . 52790 1
1469 . 2 . 1 89 89 ILE CB C 13 36.04621656 0.041687295 . 1 . . . . . 89 ILE CB . 52790 1
1470 . 2 . 1 89 89 ILE CD1 C 13 11.49276075 0.01857736589 . 1 . . . . . 89 ILE CD1 . 52790 1
1471 . 2 . 1 89 89 ILE N N 15 119.5078042 0.07080680794 . 1 . . . . . 89 ILE N . 52790 1
1472 . 2 . 1 90 90 GLY H H 1 8.831046204 0.01188790931 . 1 . . . . . 90 GLY H . 52790 1
1473 . 2 . 1 90 90 GLY C C 13 175.5091373 . . 1 . . . . . 90 GLY C . 52790 1
1474 . 2 . 1 90 90 GLY CA C 13 47.62725128 0.02176967001 . 1 . . . . . 90 GLY CA . 52790 1
1475 . 2 . 1 90 90 GLY N N 15 107.3816972 0.1564515677 . 1 . . . . . 90 GLY N . 52790 1
1476 . 2 . 1 91 91 MET H H 1 8.54192241 0.007869654527 . 1 . . . . . 91 MET H . 52790 1
1477 . 2 . 1 91 91 MET C C 13 178.4305263 . . 1 . . . . . 91 MET C . 52790 1
1478 . 2 . 1 91 91 MET CA C 13 59.78533717 . . 1 . . . . . 91 MET CA . 52790 1
1479 . 2 . 1 91 91 MET CB C 13 33.24331725 0 . 1 . . . . . 91 MET CB . 52790 1
1480 . 2 . 1 91 91 MET N N 15 119.6950326 0.06240489837 . 1 . . . . . 91 MET N . 52790 1
1481 . 2 . 1 92 92 MET H H 1 8.434438587 0.007543821761 . 1 . . . . . 92 MET H . 52790 1
1482 . 2 . 1 92 92 MET C C 13 177.9436281 . . 1 . . . . . 92 MET C . 52790 1
1483 . 2 . 1 92 92 MET CA C 13 59.51129132 0.03914941 . 1 . . . . . 92 MET CA . 52790 1
1484 . 2 . 1 92 92 MET CB C 13 31.81233884 0.02990965 . 1 . . . . . 92 MET CB . 52790 1
1485 . 2 . 1 92 92 MET N N 15 119.512259 0.05581241146 . 1 . . . . . 92 MET N . 52790 1
1486 . 2 . 1 93 93 LEU H H 1 8.297093988 0.0143571049 . 1 . . . . . 93 LEU H . 52790 1
1487 . 2 . 1 93 93 LEU HD11 H 1 0.7375037771 0.005147560474 . 1 . . . . . 93 LEU HD1# . 52790 1
1488 . 2 . 1 93 93 LEU HD12 H 1 0.7375037771 0.005147560474 . 1 . . . . . 93 LEU HD1# . 52790 1
1489 . 2 . 1 93 93 LEU HD13 H 1 0.7375037771 0.005147560474 . 1 . . . . . 93 LEU HD1# . 52790 1
1490 . 2 . 1 93 93 LEU HD21 H 1 0.7409877028 0.005138384081 . 1 . . . . . 93 LEU HD2# . 52790 1
1491 . 2 . 1 93 93 LEU HD22 H 1 0.7409877028 0.005138384081 . 1 . . . . . 93 LEU HD2# . 52790 1
1492 . 2 . 1 93 93 LEU HD23 H 1 0.7409877028 0.005138384081 . 1 . . . . . 93 LEU HD2# . 52790 1
1493 . 2 . 1 93 93 LEU C C 13 178.6075801 . . 1 . . . . . 93 LEU C . 52790 1
1494 . 2 . 1 93 93 LEU CA C 13 58.14106207 . . 1 . . . . . 93 LEU CA . 52790 1
1495 . 2 . 1 93 93 LEU CB C 13 39.60088879 0.1255089181 . 1 . . . . . 93 LEU CB . 52790 1
1496 . 2 . 1 93 93 LEU CD1 C 13 25.4543886 0.06388683896 . 1 . . . . . 93 LEU CD1 . 52790 1
1497 . 2 . 1 93 93 LEU CD2 C 13 22.16471182 0.0333996198 . 1 . . . . . 93 LEU CD2 . 52790 1
1498 . 2 . 1 93 93 LEU N N 15 119.4267857 0.05158986426 . 1 . . . . . 93 LEU N . 52790 1
1499 . 2 . 1 94 94 ILE H H 1 7.779856064 0.01220433831 . 1 . . . . . 94 ILE H . 52790 1
1500 . 2 . 1 94 94 ILE HD11 H 1 0.7769962728 0.008951224111 . 1 . . . . . 94 ILE HD1# . 52790 1
1501 . 2 . 1 94 94 ILE HD12 H 1 0.7769962728 0.008951224111 . 1 . . . . . 94 ILE HD1# . 52790 1
1502 . 2 . 1 94 94 ILE HD13 H 1 0.7769962728 0.008951224111 . 1 . . . . . 94 ILE HD1# . 52790 1
1503 . 2 . 1 94 94 ILE C C 13 177.7223108 . . 1 . . . . . 94 ILE C . 52790 1
1504 . 2 . 1 94 94 ILE CA C 13 65.5678541 . . 1 . . . . . 94 ILE CA . 52790 1
1505 . 2 . 1 94 94 ILE CB C 13 37.42428211 0.038580185 . 1 . . . . . 94 ILE CB . 52790 1
1506 . 2 . 1 94 94 ILE CD1 C 13 13.69731292 0.04547272424 . 1 . . . . . 94 ILE CD1 . 52790 1
1507 . 2 . 1 94 94 ILE N N 15 117.8157143 0.08770772828 . 1 . . . . . 94 ILE N . 52790 1
1508 . 2 . 1 95 95 CYS H H 1 8.125759921 0.01342675974 . 1 . . . . . 95 CYS H . 52790 1
1509 . 2 . 1 95 95 CYS C C 13 176.2616163 . . 1 . . . . . 95 CYS C . 52790 1
1510 . 2 . 1 95 95 CYS CA C 13 64.37690954 . . 1 . . . . . 95 CYS CA . 52790 1
1511 . 2 . 1 95 95 CYS CB C 13 26.32308222 0.0004136200238 . 1 . . . . . 95 CYS CB . 52790 1
1512 . 2 . 1 95 95 CYS N N 15 116.2088501 0.07619857943 . 1 . . . . . 95 CYS N . 52790 1
1513 . 2 . 1 96 96 ALA H H 1 8.643704859 0.01346510425 . 1 . . . . . 96 ALA H . 52790 1
1514 . 2 . 1 96 96 ALA HB1 H 1 1.418746244 0.007288230314 . 1 . . . . . 96 ALA HB# . 52790 1
1515 . 2 . 1 96 96 ALA HB2 H 1 1.418746244 0.007288230314 . 1 . . . . . 96 ALA HB# . 52790 1
1516 . 2 . 1 96 96 ALA HB3 H 1 1.418746244 0.007288230314 . 1 . . . . . 96 ALA HB# . 52790 1
1517 . 2 . 1 96 96 ALA C C 13 178.7403705 . . 1 . . . . . 96 ALA C . 52790 1
1518 . 2 . 1 96 96 ALA CA C 13 54.81336246 0.03914941 . 1 . . . . . 96 ALA CA . 52790 1
1519 . 2 . 1 96 96 ALA CB C 13 17.16819941 0.07009973336 . 1 . . . . . 96 ALA CB . 52790 1
1520 . 2 . 1 96 96 ALA N N 15 120.2138714 0.05044643156 . 1 . . . . . 96 ALA N . 52790 1
1521 . 2 . 1 97 97 GLY H H 1 8.441576734 0.006962002749 . 1 . . . . . 97 GLY H . 52790 1
1522 . 2 . 1 97 97 GLY C C 13 174.9779757 . . 1 . . . . . 97 GLY C . 52790 1
1523 . 2 . 1 97 97 GLY CA C 13 48.62775613 0.039149405 . 1 . . . . . 97 GLY CA . 52790 1
1524 . 2 . 1 97 97 GLY N N 15 105.6763262 0.07315372274 . 1 . . . . . 97 GLY N . 52790 1
1525 . 2 . 1 98 98 VAL H H 1 8.194589362 0.01263139824 . 1 . . . . . 98 VAL H . 52790 1
1526 . 2 . 1 98 98 VAL HG11 H 1 0.8646799823 0.006146750658 . 1 . . . . . 98 VAL HG1# . 52790 1
1527 . 2 . 1 98 98 VAL HG12 H 1 0.8646799823 0.006146750658 . 1 . . . . . 98 VAL HG1# . 52790 1
1528 . 2 . 1 98 98 VAL HG13 H 1 0.8646799823 0.006146750658 . 1 . . . . . 98 VAL HG1# . 52790 1
1529 . 2 . 1 98 98 VAL HG21 H 1 1.046885776 0.006406192975 . 1 . . . . . 98 VAL HG2# . 52790 1
1530 . 2 . 1 98 98 VAL HG22 H 1 1.046885776 0.006406192975 . 1 . . . . . 98 VAL HG2# . 52790 1
1531 . 2 . 1 98 98 VAL HG23 H 1 1.046885776 0.006406192975 . 1 . . . . . 98 VAL HG2# . 52790 1
1532 . 2 . 1 98 98 VAL C C 13 177.6337838 . . 1 . . . . . 98 VAL C . 52790 1
1533 . 2 . 1 98 98 VAL CA C 13 66.80230431 0.05123669553 . 1 . . . . . 98 VAL CA . 52790 1
1534 . 2 . 1 98 98 VAL CB C 13 30.70950479 0.09591165114 . 1 . . . . . 98 VAL CB . 52790 1
1535 . 2 . 1 98 98 VAL CG1 C 13 21.00271498 0.05027591139 . 1 . . . . . 98 VAL CG1 . 52790 1
1536 . 2 . 1 98 98 VAL CG2 C 13 22.39237282 0.06403425185 . 1 . . . . . 98 VAL CG2 . 52790 1
1537 . 2 . 1 98 98 VAL N N 15 120.2341525 0.08961983336 . 1 . . . . . 98 VAL N . 52790 1
1538 . 2 . 1 99 99 LEU H H 1 8.043455496 0.008459006798 . 1 . . . . . 99 LEU H . 52790 1
1539 . 2 . 1 99 99 LEU HD11 H 1 0.8117670154 0.007200945515 . 1 . . . . . 99 LEU HD1# . 52790 1
1540 . 2 . 1 99 99 LEU HD12 H 1 0.8117670154 0.007200945515 . 1 . . . . . 99 LEU HD1# . 52790 1
1541 . 2 . 1 99 99 LEU HD13 H 1 0.8117670154 0.007200945515 . 1 . . . . . 99 LEU HD1# . 52790 1
1542 . 2 . 1 99 99 LEU HD21 H 1 0.8273810812 0.003405723577 . 1 . . . . . 99 LEU HD2# . 52790 1
1543 . 2 . 1 99 99 LEU HD22 H 1 0.8273810812 0.003405723577 . 1 . . . . . 99 LEU HD2# . 52790 1
1544 . 2 . 1 99 99 LEU HD23 H 1 0.8273810812 0.003405723577 . 1 . . . . . 99 LEU HD2# . 52790 1
1545 . 2 . 1 99 99 LEU C C 13 178.3419993 . . 1 . . . . . 99 LEU C . 52790 1
1546 . 2 . 1 99 99 LEU CA C 13 58.15907429 0.01801222001 . 1 . . . . . 99 LEU CA . 52790 1
1547 . 2 . 1 99 99 LEU CB C 13 41.10509797 0.05456406429 . 1 . . . . . 99 LEU CB . 52790 1
1548 . 2 . 1 99 99 LEU CD1 C 13 24.50302511 0.03086024295 . 1 . . . . . 99 LEU CD1 . 52790 1
1549 . 2 . 1 99 99 LEU CD2 C 13 23.11168384 0.04772723784 . 1 . . . . . 99 LEU CD2 . 52790 1
1550 . 2 . 1 99 99 LEU N N 15 119.6109024 0.06371592954 . 1 . . . . . 99 LEU N . 52790 1
1551 . 2 . 1 100 100 ILE H H 1 8.394278836 0.01716145615 . 1 . . . . . 100 ILE H . 52790 1
1552 . 2 . 1 100 100 ILE HD11 H 1 0.6994083605 0.006506153056 . 1 . . . . . 100 ILE HD1# . 52790 1
1553 . 2 . 1 100 100 ILE HD12 H 1 0.6994083605 0.006506153056 . 1 . . . . . 100 ILE HD1# . 52790 1
1554 . 2 . 1 100 100 ILE HD13 H 1 0.6994083605 0.006506153056 . 1 . . . . . 100 ILE HD1# . 52790 1
1555 . 2 . 1 100 100 ILE C C 13 177.7223108 . . 1 . . . . . 100 ILE C . 52790 1
1556 . 2 . 1 100 100 ILE CA C 13 65.7044854 . . 1 . . . . . 100 ILE CA . 52790 1
1557 . 2 . 1 100 100 ILE CB C 13 37.13224201 . . 1 . . . . . 100 ILE CB . 52790 1
1558 . 2 . 1 100 100 ILE CD1 C 13 13.05779396 0.0334693229 . 1 . . . . . 100 ILE CD1 . 52790 1
1559 . 2 . 1 100 100 ILE N N 15 119.0102132 0.05003982709 . 1 . . . . . 100 ILE N . 52790 1
1560 . 2 . 1 101 101 ILE H H 1 7.78627901 0.009158720086 . 1 . . . . . 101 ILE H . 52790 1
1561 . 2 . 1 101 101 ILE HD11 H 1 0.8184980141 0.009000942651 . 1 . . . . . 101 ILE HD1# . 52790 1
1562 . 2 . 1 101 101 ILE HD12 H 1 0.8184980141 0.009000942651 . 1 . . . . . 101 ILE HD1# . 52790 1
1563 . 2 . 1 101 101 ILE HD13 H 1 0.8184980141 0.009000942651 . 1 . . . . . 101 ILE HD1# . 52790 1
1564 . 2 . 1 101 101 ILE C C 13 177.5452569 . . 1 . . . . . 101 ILE C . 52790 1
1565 . 2 . 1 101 101 ILE CA C 13 65.69374111 0.03599286 . 1 . . . . . 101 ILE CA . 52790 1
1566 . 2 . 1 101 101 ILE CB C 13 37.55957741 0.066404 . 1 . . . . . 101 ILE CB . 52790 1
1567 . 2 . 1 101 101 ILE CD1 C 13 12.94366453 0.05941538901 . 1 . . . . . 101 ILE CD1 . 52790 1
1568 . 2 . 1 101 101 ILE N N 15 118.5624152 0.1339242231 . 1 . . . . . 101 ILE N . 52790 1
1569 . 2 . 1 102 102 ASN H H 1 8.122980412 0.02473431282 . 1 . . . . . 102 ASN H . 52790 1
1570 . 2 . 1 102 102 ASN C C 13 176.5271971 . . 1 . . . . . 102 ASN C . 52790 1
1571 . 2 . 1 102 102 ASN CA C 13 56.57508578 . . 1 . . . . . 102 ASN CA . 52790 1
1572 . 2 . 1 102 102 ASN CB C 13 39.61810149 0 . 1 . . . . . 102 ASN CB . 52790 1
1573 . 2 . 1 102 102 ASN N N 15 115.2562647 0.1987453634 . 1 . . . . . 102 ASN N . 52790 1
1574 . 2 . 1 103 103 LEU H H 1 8.457671128 0.01437625329 . 1 . . . . . 103 LEU H . 52790 1
1575 . 2 . 1 103 103 LEU HD11 H 1 0.8405733476 0.006096032489 . 1 . . . . . 103 LEU HD1# . 52790 1
1576 . 2 . 1 103 103 LEU HD12 H 1 0.8405733476 0.006096032489 . 1 . . . . . 103 LEU HD1# . 52790 1
1577 . 2 . 1 103 103 LEU HD13 H 1 0.8405733476 0.006096032489 . 1 . . . . . 103 LEU HD1# . 52790 1
1578 . 2 . 1 103 103 LEU HD21 H 1 0.8736320556 0.006934676738 . 1 . . . . . 103 LEU HD2# . 52790 1
1579 . 2 . 1 103 103 LEU HD22 H 1 0.8736320556 0.006934676738 . 1 . . . . . 103 LEU HD2# . 52790 1
1580 . 2 . 1 103 103 LEU HD23 H 1 0.8736320556 0.006934676738 . 1 . . . . . 103 LEU HD2# . 52790 1
1581 . 2 . 1 103 103 LEU C C 13 178.3419993 . . 1 . . . . . 103 LEU C . 52790 1
1582 . 2 . 1 103 103 LEU CA C 13 56.22505789 0.03683264 . 1 . . . . . 103 LEU CA . 52790 1
1583 . 2 . 1 103 103 LEU CB C 13 42.20086925 0.05719440011 . 1 . . . . . 103 LEU CB . 52790 1
1584 . 2 . 1 103 103 LEU CD1 C 13 24.75916699 0.08370304771 . 1 . . . . . 103 LEU CD1 . 52790 1
1585 . 2 . 1 103 103 LEU CD2 C 13 22.35687623 0.0462995275 . 1 . . . . . 103 LEU CD2 . 52790 1
1586 . 2 . 1 103 103 LEU N N 15 114.5046716 0.1279564108 . 1 . . . . . 103 LEU N . 52790 1
1587 . 2 . 1 104 104 LEU H H 1 7.802377164 0.03921750183 . 1 . . . . . 104 LEU H . 52790 1
1588 . 2 . 1 104 104 LEU HD11 H 1 0.9038404602 0.006922026848 . 1 . . . . . 104 LEU HD1# . 52790 1
1589 . 2 . 1 104 104 LEU HD12 H 1 0.9038404602 0.006922026848 . 1 . . . . . 104 LEU HD1# . 52790 1
1590 . 2 . 1 104 104 LEU HD13 H 1 0.9038404602 0.006922026848 . 1 . . . . . 104 LEU HD1# . 52790 1
1591 . 2 . 1 104 104 LEU HD21 H 1 0.8895550806 0.007810347799 . 1 . . . . . 104 LEU HD2# . 52790 1
1592 . 2 . 1 104 104 LEU HD22 H 1 0.8895550806 0.007810347799 . 1 . . . . . 104 LEU HD2# . 52790 1
1593 . 2 . 1 104 104 LEU HD23 H 1 0.8895550806 0.007810347799 . 1 . . . . . 104 LEU HD2# . 52790 1
1594 . 2 . 1 104 104 LEU C C 13 177.1026222 . . 1 . . . . . 104 LEU C . 52790 1
1595 . 2 . 1 104 104 LEU CA C 13 54.68836647 0.00754777499 . 1 . . . . . 104 LEU CA . 52790 1
1596 . 2 . 1 104 104 LEU CB C 13 43.57382963 0.03573148535 . 1 . . . . . 104 LEU CB . 52790 1
1597 . 2 . 1 104 104 LEU CD1 C 13 25.06962075 0.0953855906 . 1 . . . . . 104 LEU CD1 . 52790 1
1598 . 2 . 1 104 104 LEU CD2 C 13 22.1589503 0.07738398806 . 1 . . . . . 104 LEU CD2 . 52790 1
1599 . 2 . 1 104 104 LEU N N 15 114.1907623 0.07633471159 . 1 . . . . . 104 LEU N . 52790 1
1600 . 2 . 1 105 105 SER H H 1 7.521970129 0.0136497881 . 1 . . . . . 105 SER H . 52790 1
1601 . 2 . 1 105 105 SER C C 13 176.3501432 . . 1 . . . . . 105 SER C . 52790 1
1602 . 2 . 1 105 105 SER CA C 13 57.98446444 0 . 1 . . . . . 105 SER CA . 52790 1
1603 . 2 . 1 105 105 SER CB C 13 64.05477443 0 . 1 . . . . . 105 SER CB . 52790 1
1604 . 2 . 1 105 105 SER N N 15 111.7917514 0.1242578092 . 1 . . . . . 105 SER N . 52790 1
1605 . 2 . 1 106 106 ARG H H 1 10.06344032 0.02634275333 . 1 . . . . . 106 ARG H . 52790 1
1606 . 2 . 1 106 106 ARG C C 13 177.1468857 . . 1 . . . . . 106 ARG C . 52790 1
1607 . 2 . 1 106 106 ARG CA C 13 54.77421305 0 . 1 . . . . . 106 ARG CA . 52790 1
1608 . 2 . 1 106 106 ARG CB C 13 29.48234898 0.06969202103 . 1 . . . . . 106 ARG CB . 52790 1
1609 . 2 . 1 106 106 ARG N N 15 129.1115864 0.03798493398 . 1 . . . . . 106 ARG N . 52790 1
1610 . 2 . 1 107 107 SER H H 1 8.473881541 0.03386583843 . 1 . . . . . 107 SER H . 52790 1
1611 . 2 . 1 107 107 SER C C 13 173.3844908 . . 1 . . . . . 107 SER C . 52790 1
1612 . 2 . 1 107 107 SER CA C 13 59.86363599 0 . 1 . . . . . 107 SER CA . 52790 1
1613 . 2 . 1 107 107 SER CB C 13 63.1915224 0.066404 . 1 . . . . . 107 SER CB . 52790 1
1614 . 2 . 1 107 107 SER N N 15 117.5030603 0.2743142674 . 1 . . . . . 107 SER N . 52790 1
1615 . 2 . 1 108 108 THR H H 1 7.653301302 0.02832738819 . 1 . . . . . 108 THR H . 52790 1
1616 . 2 . 1 108 108 THR HG21 H 1 1.211267994 0.005149640494 . 1 . . . . . 108 THR HG2# . 52790 1
1617 . 2 . 1 108 108 THR HG22 H 1 1.211267994 0.005149640494 . 1 . . . . . 108 THR HG2# . 52790 1
1618 . 2 . 1 108 108 THR HG23 H 1 1.211267994 0.005149640494 . 1 . . . . . 108 THR HG2# . 52790 1
1619 . 2 . 1 108 108 THR CA C 13 58.21264201 0.006718876376 . 1 . . . . . 108 THR CA . 52790 1
1620 . 2 . 1 108 108 THR CB C 13 69.23428663 . . 1 . . . . . 108 THR CB . 52790 1
1621 . 2 . 1 108 108 THR CG2 C 13 21.2038506 0.08207394046 . 1 . . . . . 108 THR CG2 . 52790 1
1622 . 2 . 1 108 108 THR N N 15 114.1781331 0.1359012649 . 1 . . . . . 108 THR N . 52790 1
1623 . 2 . 1 109 109 PRO C C 13 175.9018236 . . 1 . . . . . 109 PRO C . 52790 1
1624 . 2 . 1 109 109 PRO CA C 13 63.230485 . . 1 . . . . . 109 PRO CA . 52790 1
1625 . 2 . 1 109 109 PRO CB C 13 31.11838916 . . 1 . . . . . 109 PRO CB . 52790 1
1626 . 2 . 1 110 110 HIS H H 1 7.803260199 0.03872580013 . 1 . . . . . 110 HIS H . 52790 1
1627 . 2 . 1 110 110 HIS CA C 13 56.68410409 0.03071948932 . 1 . . . . . 110 HIS CA . 52790 1
1628 . 2 . 1 110 110 HIS CB C 13 29.54871566 0.02402255959 . 1 . . . . . 110 HIS CB . 52790 1
1629 . 2 . 1 110 110 HIS N N 15 123.4478969 0.09798480292 . 1 . . . . . 110 HIS N . 52790 1
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