data_6955
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6955
_Entry.Title
;
Solution Structure of the gene product of E. coli gene ydhA
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2006-01-27
_Entry.Accession_date 2006-01-27
_Entry.Last_release_date 2006-11-06
_Entry.Original_release_date 2006-11-06
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 G. Shaw . S. . 6955
2 M. Revington . J. . 6955
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 6955
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 316 6955
'15N chemical shifts' 79 6955
'1H chemical shifts' 525 6955
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2006-11-06 2006-01-27 original author . 6955
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6955
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 16937244
_Citation.Full_citation .
_Citation.Title 'The solution structure of the protein ydhA from Escherichia coli'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biomol. NMR'
_Citation.Journal_name_full .
_Citation.Journal_volume 35
_Citation.Journal_issue 4
_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 295
_Citation.Page_last 300
_Citation.Year 2006
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 M. Revington . J. . 6955 1
2 A. Semesi . . . 6955 1
3 A. Yee . . . 6955 1
4 C. Arrowsmith . H. . 6955 1
5 G. Shaw . S. . 6955 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'8 strand beta-barrel' 6955 1
OCSP 6955 1
'Ontario Centre for Structural Proteomics' 6955 1
'Structural Genomics' 6955 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_ydhA
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_ydhA
_Assembly.Entry_ID 6955
_Assembly.ID 1
_Assembly.Name 'Hypothetical protein ydhA'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'all disulfide bound'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
monomer 6955 1
stop_
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 'Hypothetical protein ydhA' 1 $ydhA . . . native . . . . . 6955 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 95 95 SG . . . . . . . . . . 6955 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 2F09 . . . . . . 6955 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'Hypothetical protein ydhA' system 6955 1
ydhA abbreviation 6955 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_ydhA
_Entity.Sf_category entity
_Entity.Sf_framecode ydhA
_Entity.Entry_ID 6955
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'Hypothetical protein ydhA'
_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
;
MGSSHHHHHHSSGLVPRGSH
MQTDTLEYQCDEKPLTVKLN
NPRQEVSFVYDNQLLHLKQG
ISASGARYTDGIYVFWSKGD
EATVYKRDRIVLNNCQLQNP
QR
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 102
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date 2008-08-19
_Entity.DB_query_revised_last_date 2008-08-19
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
. . SWISS-PROT P28224 . 'Uncharacterized protein ydhA' . . . . . 81.37 109 98.80 98.80 4.19e-43 . . . . 6955 1
. . REF YP_001724963 . 'hypothetical protein EcolC_1990 [Escherichia coli ATCC 8739]' . . . . . 81.37 107 98.80 98.80 5.25e-43 . . . . 6955 1
. . REF YP_001462930 . 'lysozyme inhibitor [Escherichia coli E24377A]' . . . . . 81.37 107 98.80 98.80 8.81e-43 . . . . 6955 1
. . REF YP_001458419 . 'lysozyme inhibitor [Escherichia coli HS]' . . . . . 81.37 107 98.80 98.80 5.25e-43 . . . . 6955 1
. . REF NP_416156 . 'predicted lipoprotein [Escherichia coli str. K-12 substr. MG1655]' . . . . . 81.37 109 98.80 98.80 4.19e-43 . . . . 6955 1
. . REF AP_002261 . 'predicted lipoprotein [Escherichia coli W3110]' . . . . . 81.37 109 98.80 98.80 4.19e-43 . . . . 6955 1
. . GenBank ABV06036 . 'putative lipoprotein [Escherichia coli HS]' . . . . . 81.37 107 98.80 98.80 5.25e-43 . . . . 6955 1
. . GenBank ABB66112 . 'conserved hypothetical protein [Shigella boydii Sb227]' . . . . . 80.39 82 100.00 100.00 1.32e-42 . . . . 6955 1
. . GenBank AAZ88217 . 'conserved hypothetical protein [Shigella sonnei Ss046]' . . . . . 80.39 82 98.78 98.78 6.98e-42 . . . . 6955 1
. . GenBank AAC74711 . 'predicted lipoprotein [Escherichia coli str. K-12 substr. MG1655]' . . . . . 81.37 109 98.80 98.80 4.19e-43 . . . . 6955 1
. . GenBank AAA24708 . 'ORF; putative' . . . . . 80.39 82 100.00 100.00 1.32e-42 . . . . 6955 1
. . DBJ BAA15400 . 'predicted lipoprotein [Escherichia coli W3110]' . . . . . 81.37 109 98.80 98.80 4.19e-43 . . . . 6955 1
. . PDB 2F09 . 'Solution Structure Of The Gene Product Of E. Coli Gene Ydha' . . . . . 99.02 102 100.00 100.00 2.35e-54 . . . . 6955 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'Hypothetical protein ydhA' common 6955 1
ydhA abbreviation 6955 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 -19 MET . 6955 1
2 -18 GLY . 6955 1
3 -17 SER . 6955 1
4 -16 SER . 6955 1
5 -15 HIS . 6955 1
6 -14 HIS . 6955 1
7 -13 HIS . 6955 1
8 -12 HIS . 6955 1
9 -11 HIS . 6955 1
10 -10 HIS . 6955 1
11 -9 SER . 6955 1
12 -8 SER . 6955 1
13 -7 GLY . 6955 1
14 -6 LEU . 6955 1
15 -5 VAL . 6955 1
16 -4 PRO . 6955 1
17 -3 ARG . 6955 1
18 -2 GLY . 6955 1
19 -1 SER . 6955 1
20 0 HIS . 6955 1
21 1 MET . 6955 1
22 2 GLN . 6955 1
23 3 THR . 6955 1
24 4 ASP . 6955 1
25 5 THR . 6955 1
26 6 LEU . 6955 1
27 7 GLU . 6955 1
28 8 TYR . 6955 1
29 9 GLN . 6955 1
30 10 CYS . 6955 1
31 11 ASP . 6955 1
32 12 GLU . 6955 1
33 13 LYS . 6955 1
34 14 PRO . 6955 1
35 15 LEU . 6955 1
36 16 THR . 6955 1
37 17 VAL . 6955 1
38 18 LYS . 6955 1
39 19 LEU . 6955 1
40 20 ASN . 6955 1
41 21 ASN . 6955 1
42 22 PRO . 6955 1
43 23 ARG . 6955 1
44 24 GLN . 6955 1
45 25 GLU . 6955 1
46 26 VAL . 6955 1
47 27 SER . 6955 1
48 28 PHE . 6955 1
49 29 VAL . 6955 1
50 30 TYR . 6955 1
51 31 ASP . 6955 1
52 32 ASN . 6955 1
53 33 GLN . 6955 1
54 34 LEU . 6955 1
55 35 LEU . 6955 1
56 36 HIS . 6955 1
57 37 LEU . 6955 1
58 38 LYS . 6955 1
59 39 GLN . 6955 1
60 40 GLY . 6955 1
61 41 ILE . 6955 1
62 42 SER . 6955 1
63 43 ALA . 6955 1
64 44 SER . 6955 1
65 45 GLY . 6955 1
66 46 ALA . 6955 1
67 47 ARG . 6955 1
68 48 TYR . 6955 1
69 49 THR . 6955 1
70 50 ASP . 6955 1
71 51 GLY . 6955 1
72 52 ILE . 6955 1
73 53 TYR . 6955 1
74 54 VAL . 6955 1
75 55 PHE . 6955 1
76 56 TRP . 6955 1
77 57 SER . 6955 1
78 58 LYS . 6955 1
79 59 GLY . 6955 1
80 60 ASP . 6955 1
81 61 GLU . 6955 1
82 62 ALA . 6955 1
83 63 THR . 6955 1
84 64 VAL . 6955 1
85 65 TYR . 6955 1
86 66 LYS . 6955 1
87 67 ARG . 6955 1
88 68 ASP . 6955 1
89 69 ARG . 6955 1
90 70 ILE . 6955 1
91 71 VAL . 6955 1
92 72 LEU . 6955 1
93 73 ASN . 6955 1
94 74 ASN . 6955 1
95 75 CYS . 6955 1
96 76 GLN . 6955 1
97 77 LEU . 6955 1
98 78 GLN . 6955 1
99 79 ASN . 6955 1
100 80 PRO . 6955 1
101 81 GLN . 6955 1
102 82 ARG . 6955 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 6955 1
. GLY 2 2 6955 1
. SER 3 3 6955 1
. SER 4 4 6955 1
. HIS 5 5 6955 1
. HIS 6 6 6955 1
. HIS 7 7 6955 1
. HIS 8 8 6955 1
. HIS 9 9 6955 1
. HIS 10 10 6955 1
. SER 11 11 6955 1
. SER 12 12 6955 1
. GLY 13 13 6955 1
. LEU 14 14 6955 1
. VAL 15 15 6955 1
. PRO 16 16 6955 1
. ARG 17 17 6955 1
. GLY 18 18 6955 1
. SER 19 19 6955 1
. HIS 20 20 6955 1
. MET 21 21 6955 1
. GLN 22 22 6955 1
. THR 23 23 6955 1
. ASP 24 24 6955 1
. THR 25 25 6955 1
. LEU 26 26 6955 1
. GLU 27 27 6955 1
. TYR 28 28 6955 1
. GLN 29 29 6955 1
. CYS 30 30 6955 1
. ASP 31 31 6955 1
. GLU 32 32 6955 1
. LYS 33 33 6955 1
. PRO 34 34 6955 1
. LEU 35 35 6955 1
. THR 36 36 6955 1
. VAL 37 37 6955 1
. LYS 38 38 6955 1
. LEU 39 39 6955 1
. ASN 40 40 6955 1
. ASN 41 41 6955 1
. PRO 42 42 6955 1
. ARG 43 43 6955 1
. GLN 44 44 6955 1
. GLU 45 45 6955 1
. VAL 46 46 6955 1
. SER 47 47 6955 1
. PHE 48 48 6955 1
. VAL 49 49 6955 1
. TYR 50 50 6955 1
. ASP 51 51 6955 1
. ASN 52 52 6955 1
. GLN 53 53 6955 1
. LEU 54 54 6955 1
. LEU 55 55 6955 1
. HIS 56 56 6955 1
. LEU 57 57 6955 1
. LYS 58 58 6955 1
. GLN 59 59 6955 1
. GLY 60 60 6955 1
. ILE 61 61 6955 1
. SER 62 62 6955 1
. ALA 63 63 6955 1
. SER 64 64 6955 1
. GLY 65 65 6955 1
. ALA 66 66 6955 1
. ARG 67 67 6955 1
. TYR 68 68 6955 1
. THR 69 69 6955 1
. ASP 70 70 6955 1
. GLY 71 71 6955 1
. ILE 72 72 6955 1
. TYR 73 73 6955 1
. VAL 74 74 6955 1
. PHE 75 75 6955 1
. TRP 76 76 6955 1
. SER 77 77 6955 1
. LYS 78 78 6955 1
. GLY 79 79 6955 1
. ASP 80 80 6955 1
. GLU 81 81 6955 1
. ALA 82 82 6955 1
. THR 83 83 6955 1
. VAL 84 84 6955 1
. TYR 85 85 6955 1
. LYS 86 86 6955 1
. ARG 87 87 6955 1
. ASP 88 88 6955 1
. ARG 89 89 6955 1
. ILE 90 90 6955 1
. VAL 91 91 6955 1
. LEU 92 92 6955 1
. ASN 93 93 6955 1
. ASN 94 94 6955 1
. CYS 95 95 6955 1
. GLN 96 96 6955 1
. LEU 97 97 6955 1
. GLN 98 98 6955 1
. ASN 99 99 6955 1
. PRO 100 100 6955 1
. GLN 101 101 6955 1
. ARG 102 102 6955 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 6955
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $ydhA . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6955 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 6955
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $ydhA . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6955 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 6955
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 'Hypothetical protein ydhA' '[U-13C; U-15N]' . . 1 $ydhA . . 0.5 . . mM . . . . 6955 1
2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 6955 1
3 NaCl . . . . . . . 400 . . mM . . . . 6955 1
4 dithiothreitol . . . . . . . 10 . . mM . . . . 6955 1
5 'sodium azide' . . . . . . . 0.01 . . % . . . . 6955 1
6 benzamidine . . . . . . . 1 . . mM . . . . 6955 1
7 H2O . . . . . . . 90 . . % . . . . 6955 1
8 D2O . . . . . . . 10 . . % . . . . 6955 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_cond_1
_Sample_condition_list.Entry_ID 6955
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 410 . mM 6955 1
pH 6.5 . pH 6955 1
pressure 1 . atm 6955 1
temperature 298.0 . K 6955 1
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Software.Sf_category software
_Software.Sf_framecode VNMR
_Software.Entry_ID 6955
_Software.ID 1
_Software.Name VNMR
_Software.Version 6.1B
_Software.Details 'Varian Inc.'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 6955 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 6955
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 2.3
_Software.Details 'Frank Delaglio Stephan Grzesiek, Guang Zhu, Geerten W. Vuister, John Pfeifer, and Ad Bax.'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 6955 2
stop_
save_
save_NMRVIEW
_Software.Sf_category software
_Software.Sf_framecode NMRVIEW
_Software.Entry_ID 6955
_Software.ID 3
_Software.Name NMRView
_Software.Version 5.2.2
_Software.Details 'B.A. Johnson'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 6955 3
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 6955
_Software.ID 4
_Software.Name CYANA
_Software.Version 2.032.3
_Software.Details 'Guntert, P., Mumenthaler, C. and Wuthrich, K.'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 6955 4
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 6955
_Software.ID 5
_Software.Name CNS
_Software.Version 1.1
_Software.Details
;
A. T. Brunger, P. D. Adams, G. M. Clore, W. L. Delano, P. Gros,
R. W. Grosse-Kunstleve, J. -S. Jiang, J. Kuszewski, M. Nilges,
N. S. Pannu, R. J. Read, L. M. Rice, T. Simonson, G. L. Warren.
;
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 6955 5
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 6955
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 6955
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 600 . . . 6955 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 6955
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '3D 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6955 1
2 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6955 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 6955
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.25144952 . cylindrical . 1 $entry_citation . . 1 $entry_citation 6955 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6955 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.10132905 . cylindrical . 1 $entry_citation . . 1 $entry_citation 6955 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6955
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 6955 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 22 22 GLN CA C 13 56.517 0.060 . 1 . . . . 2 . . . 6955 1
2 . 1 1 22 22 GLN HA H 1 4.438 0.030 . 1 . . . . 2 . . . 6955 1
3 . 1 1 22 22 GLN CB C 13 29.393 0.060 . 1 . . . . 2 . . . 6955 1
4 . 1 1 22 22 GLN HB2 H 1 2.275 0.030 . 1 . . . . 2 . . . 6955 1
5 . 1 1 22 22 GLN HB3 H 1 2.089 0.030 . 1 . . . . 2 . . . 6955 1
6 . 1 1 22 22 GLN CG C 13 33.940 0.060 . 1 . . . . 2 . . . 6955 1
7 . 1 1 22 22 GLN HG3 H 1 2.428 0.030 . 1 . . . . 2 . . . 6955 1
8 . 1 1 22 22 GLN NE2 N 15 112.659 0.10 . 1 . . . . 2 . . . 6955 1
9 . 1 1 22 22 GLN HE21 H 1 7.615 0.030 . 1 . . . . 2 . . . 6955 1
10 . 1 1 22 22 GLN HE22 H 1 6.883 0.030 . 1 . . . . 2 . . . 6955 1
11 . 1 1 22 22 GLN C C 13 175.358 0.060 . 1 . . . . 2 . . . 6955 1
12 . 1 1 23 23 THR N N 15 114.830 0.10 . 1 . . . . 3 . . . 6955 1
13 . 1 1 23 23 THR H H 1 7.998 0.030 . 1 . . . . 3 . . . 6955 1
14 . 1 1 23 23 THR CA C 13 61.035 0.060 . 1 . . . . 3 . . . 6955 1
15 . 1 1 23 23 THR HA H 1 5.051 0.030 . 1 . . . . 3 . . . 6955 1
16 . 1 1 23 23 THR CB C 13 70.652 0.060 . 1 . . . . 3 . . . 6955 1
17 . 1 1 23 23 THR HB H 1 4.111 0.030 . 1 . . . . 3 . . . 6955 1
18 . 1 1 23 23 THR CG2 C 13 21.737 0.060 . 1 . . . . 3 . . . 6955 1
19 . 1 1 23 23 THR HG21 H 1 1.121 0.030 . 1 . . . . 3 . . . 6955 1
20 . 1 1 23 23 THR HG22 H 1 1.121 0.030 . 1 . . . . 3 . . . 6955 1
21 . 1 1 23 23 THR HG23 H 1 1.121 0.030 . 1 . . . . 3 . . . 6955 1
22 . 1 1 23 23 THR C C 13 173.766 0.060 . 1 . . . . 3 . . . 6955 1
23 . 1 1 24 24 ASP N N 15 124.622 0.10 . 1 . . . . 4 . . . 6955 1
24 . 1 1 24 24 ASP H H 1 8.856 0.030 . 1 . . . . 4 . . . 6955 1
25 . 1 1 24 24 ASP CA C 13 53.720 0.060 . 1 . . . . 4 . . . 6955 1
26 . 1 1 24 24 ASP HA H 1 4.975 0.030 . 1 . . . . 4 . . . 6955 1
27 . 1 1 24 24 ASP CB C 13 43.627 0.060 . 1 . . . . 4 . . . 6955 1
28 . 1 1 24 24 ASP HB2 H 1 2.598 0.030 . 1 . . . . 4 . . . 6955 1
29 . 1 1 24 24 ASP HB3 H 1 2.665 0.030 . 1 . . . . 4 . . . 6955 1
30 . 1 1 24 24 ASP C C 13 175.252 0.060 . 1 . . . . 4 . . . 6955 1
31 . 1 1 25 25 THR N N 15 118.247 0.10 . 1 . . . . 5 . . . 6955 1
32 . 1 1 25 25 THR H H 1 8.604 0.030 . 1 . . . . 5 . . . 6955 1
33 . 1 1 25 25 THR CA C 13 62.779 0.060 . 1 . . . . 5 . . . 6955 1
34 . 1 1 25 25 THR HA H 1 4.811 0.030 . 1 . . . . 5 . . . 6955 1
35 . 1 1 25 25 THR CB C 13 69.747 0.060 . 1 . . . . 5 . . . 6955 1
36 . 1 1 25 25 THR HB H 1 4.003 0.030 . 1 . . . . 5 . . . 6955 1
37 . 1 1 25 25 THR CG2 C 13 22.200 0.060 . 1 . . . . 5 . . . 6955 1
38 . 1 1 25 25 THR HG21 H 1 1.036 0.030 . 1 . . . . 5 . . . 6955 1
39 . 1 1 25 25 THR HG22 H 1 1.036 0.030 . 1 . . . . 5 . . . 6955 1
40 . 1 1 25 25 THR HG23 H 1 1.036 0.030 . 1 . . . . 5 . . . 6955 1
41 . 1 1 25 25 THR C C 13 173.106 0.060 . 1 . . . . 5 . . . 6955 1
42 . 1 1 26 26 LEU N N 15 130.358 0.10 . 1 . . . . 6 . . . 6955 1
43 . 1 1 26 26 LEU H H 1 9.598 0.030 . 1 . . . . 6 . . . 6955 1
44 . 1 1 26 26 LEU CA C 13 53.943 0.060 . 1 . . . . 6 . . . 6955 1
45 . 1 1 26 26 LEU HA H 1 4.458 0.030 . 1 . . . . 6 . . . 6955 1
46 . 1 1 26 26 LEU CB C 13 43.617 0.060 . 1 . . . . 6 . . . 6955 1
47 . 1 1 26 26 LEU HB2 H 1 1.228 0.030 . 1 . . . . 6 . . . 6955 1
48 . 1 1 26 26 LEU HB3 H 1 1.793 0.030 . 1 . . . . 6 . . . 6955 1
49 . 1 1 26 26 LEU CG C 13 27.589 0.060 . 1 . . . . 6 . . . 6955 1
50 . 1 1 26 26 LEU HG H 1 1.579 0.030 . 1 . . . . 6 . . . 6955 1
51 . 1 1 26 26 LEU CD1 C 13 25.974 0.060 . 1 . . . . 6 . . . 6955 1
52 . 1 1 26 26 LEU HD11 H 1 0.922 0.030 . 1 . . . . 6 . . . 6955 1
53 . 1 1 26 26 LEU HD12 H 1 0.922 0.030 . 1 . . . . 6 . . . 6955 1
54 . 1 1 26 26 LEU HD13 H 1 0.922 0.030 . 1 . . . . 6 . . . 6955 1
55 . 1 1 26 26 LEU CD2 C 13 23.658 0.060 . 1 . . . . 6 . . . 6955 1
56 . 1 1 26 26 LEU HD21 H 1 0.901 0.030 . 1 . . . . 6 . . . 6955 1
57 . 1 1 26 26 LEU HD22 H 1 0.901 0.030 . 1 . . . . 6 . . . 6955 1
58 . 1 1 26 26 LEU HD23 H 1 0.901 0.030 . 1 . . . . 6 . . . 6955 1
59 . 1 1 26 26 LEU C C 13 174.514 0.060 . 1 . . . . 6 . . . 6955 1
60 . 1 1 27 27 GLU N N 15 122.226 0.10 . 1 . . . . 7 . . . 6955 1
61 . 1 1 27 27 GLU H H 1 8.535 0.030 . 1 . . . . 7 . . . 6955 1
62 . 1 1 27 27 GLU CA C 13 54.620 0.060 . 1 . . . . 7 . . . 6955 1
63 . 1 1 27 27 GLU HA H 1 5.082 0.030 . 1 . . . . 7 . . . 6955 1
64 . 1 1 27 27 GLU CB C 13 30.247 0.060 . 1 . . . . 7 . . . 6955 1
65 . 1 1 27 27 GLU HB2 H 1 1.733 0.030 . 1 . . . . 7 . . . 6955 1
66 . 1 1 27 27 GLU HB3 H 1 1.868 0.030 . 1 . . . . 7 . . . 6955 1
67 . 1 1 27 27 GLU CG C 13 34.890 0.060 . 1 . . . . 7 . . . 6955 1
68 . 1 1 27 27 GLU HG2 H 1 2.064 0.030 . 1 . . . . 7 . . . 6955 1
69 . 1 1 27 27 GLU HG3 H 1 2.198 0.030 . 1 . . . . 7 . . . 6955 1
70 . 1 1 27 27 GLU C C 13 174.575 0.060 . 1 . . . . 7 . . . 6955 1
71 . 1 1 28 28 TYR N N 15 120.206 0.10 . 1 . . . . 8 . . . 6955 1
72 . 1 1 28 28 TYR H H 1 9.350 0.030 . 1 . . . . 8 . . . 6955 1
73 . 1 1 28 28 TYR CA C 13 57.252 0.060 . 1 . . . . 8 . . . 6955 1
74 . 1 1 28 28 TYR HA H 1 4.396 0.030 . 1 . . . . 8 . . . 6955 1
75 . 1 1 28 28 TYR CB C 13 42.662 0.060 . 1 . . . . 8 . . . 6955 1
76 . 1 1 28 28 TYR HB2 H 1 2.603 0.030 . 1 . . . . 8 . . . 6955 1
77 . 1 1 28 28 TYR HB3 H 1 3.161 0.030 . 1 . . . . 8 . . . 6955 1
78 . 1 1 28 28 TYR HD1 H 1 7.420 0.030 . 3 . . . . 8 . . . 6955 1
79 . 1 1 28 28 TYR C C 13 177.156 0.060 . 1 . . . . 8 . . . 6955 1
80 . 1 1 29 29 GLN N N 15 121.101 0.10 . 1 . . . . 9 . . . 6955 1
81 . 1 1 29 29 GLN H H 1 8.574 0.030 . 1 . . . . 9 . . . 6955 1
82 . 1 1 29 29 GLN CA C 13 55.809 0.060 . 1 . . . . 9 . . . 6955 1
83 . 1 1 29 29 GLN HA H 1 4.656 0.030 . 1 . . . . 9 . . . 6955 1
84 . 1 1 29 29 GLN CB C 13 30.384 0.060 . 1 . . . . 9 . . . 6955 1
85 . 1 1 29 29 GLN HB2 H 1 1.985 0.030 . 1 . . . . 9 . . . 6955 1
86 . 1 1 29 29 GLN HB3 H 1 2.132 0.030 . 1 . . . . 9 . . . 6955 1
87 . 1 1 29 29 GLN CG C 13 33.435 0.060 . 1 . . . . 9 . . . 6955 1
88 . 1 1 29 29 GLN HG2 H 1 2.271 0.030 . 1 . . . . 9 . . . 6955 1
89 . 1 1 29 29 GLN HG3 H 1 2.389 0.030 . 1 . . . . 9 . . . 6955 1
90 . 1 1 29 29 GLN C C 13 175.478 0.060 . 1 . . . . 9 . . . 6955 1
91 . 1 1 30 30 CYS N N 15 126.286 0.10 . 1 . . . . 10 . . . 6955 1
92 . 1 1 30 30 CYS H H 1 7.863 0.030 . 1 . . . . 10 . . . 6955 1
93 . 1 1 30 30 CYS CA C 13 54.908 0.060 . 1 . . . . 10 . . . 6955 1
94 . 1 1 30 30 CYS HA H 1 5.221 0.030 . 1 . . . . 10 . . . 6955 1
95 . 1 1 30 30 CYS CB C 13 45.434 0.060 . 1 . . . . 10 . . . 6955 1
96 . 1 1 30 30 CYS HB2 H 1 3.367 0.030 . 1 . . . . 10 . . . 6955 1
97 . 1 1 30 30 CYS HB3 H 1 3.748 0.030 . 1 . . . . 10 . . . 6955 1
98 . 1 1 30 30 CYS C C 13 173.797 0.060 . 1 . . . . 10 . . . 6955 1
99 . 1 1 31 31 ASP N N 15 122.756 0.10 . 1 . . . . 11 . . . 6955 1
100 . 1 1 31 31 ASP H H 1 8.864 0.030 . 1 . . . . 11 . . . 6955 1
101 . 1 1 31 31 ASP CA C 13 58.216 0.060 . 1 . . . . 11 . . . 6955 1
102 . 1 1 31 31 ASP HA H 1 4.310 0.030 . 1 . . . . 11 . . . 6955 1
103 . 1 1 31 31 ASP CB C 13 39.315 0.060 . 1 . . . . 11 . . . 6955 1
104 . 1 1 31 31 ASP HB2 H 1 3.062 0.030 . 1 . . . . 11 . . . 6955 1
105 . 1 1 31 31 ASP HB3 H 1 2.680 0.030 . 1 . . . . 11 . . . 6955 1
106 . 1 1 31 31 ASP C C 13 179.020 0.060 . 1 . . . . 11 . . . 6955 1
107 . 1 1 32 32 GLU N N 15 116.802 0.10 . 1 . . . . 12 . . . 6955 1
108 . 1 1 32 32 GLU H H 1 9.652 0.030 . 1 . . . . 12 . . . 6955 1
109 . 1 1 32 32 GLU CA C 13 60.367 0.060 . 1 . . . . 12 . . . 6955 1
110 . 1 1 32 32 GLU HA H 1 4.052 0.030 . 1 . . . . 12 . . . 6955 1
111 . 1 1 32 32 GLU CB C 13 30.082 0.060 . 1 . . . . 12 . . . 6955 1
112 . 1 1 32 32 GLU HB2 H 1 2.077 0.030 . 1 . . . . 12 . . . 6955 1
113 . 1 1 32 32 GLU HB3 H 1 2.255 0.030 . 1 . . . . 12 . . . 6955 1
114 . 1 1 32 32 GLU CG C 13 37.704 0.060 . 1 . . . . 12 . . . 6955 1
115 . 1 1 32 32 GLU HG2 H 1 2.309 0.030 . 1 . . . . 12 . . . 6955 1
116 . 1 1 32 32 GLU HG3 H 1 2.735 0.030 . 1 . . . . 12 . . . 6955 1
117 . 1 1 32 32 GLU C C 13 176.923 0.060 . 1 . . . . 12 . . . 6955 1
118 . 1 1 33 33 LYS N N 15 113.383 0.10 . 1 . . . . 13 . . . 6955 1
119 . 1 1 33 33 LYS H H 1 7.005 0.030 . 1 . . . . 13 . . . 6955 1
120 . 1 1 33 33 LYS CA C 13 54.601 0.060 . 1 . . . . 13 . . . 6955 1
121 . 1 1 33 33 LYS HA H 1 5.196 0.030 . 1 . . . . 13 . . . 6955 1
122 . 1 1 33 33 LYS CB C 13 31.661 0.060 . 1 . . . . 13 . . . 6955 1
123 . 1 1 33 33 LYS HB2 H 1 2.029 0.030 . 1 . . . . 13 . . . 6955 1
124 . 1 1 33 33 LYS HB3 H 1 1.857 0.030 . 1 . . . . 13 . . . 6955 1
125 . 1 1 33 33 LYS HG2 H 1 1.186 0.030 . 1 . . . . 13 . . . 6955 1
126 . 1 1 33 33 LYS HG3 H 1 1.364 0.030 . 1 . . . . 13 . . . 6955 1
127 . 1 1 33 33 LYS CD C 13 29.352 0.060 . 1 . . . . 13 . . . 6955 1
128 . 1 1 33 33 LYS HD2 H 1 1.051 0.030 . 1 . . . . 13 . . . 6955 1
129 . 1 1 33 33 LYS HD3 H 1 1.010 0.030 . 1 . . . . 13 . . . 6955 1
130 . 1 1 33 33 LYS CE C 13 42.996 0.060 . 1 . . . . 13 . . . 6955 1
131 . 1 1 33 33 LYS HE2 H 1 2.367 0.030 . 1 . . . . 13 . . . 6955 1
132 . 1 1 33 33 LYS HE3 H 1 2.598 0.030 . 1 . . . . 13 . . . 6955 1
133 . 1 1 34 34 PRO CA C 13 62.993 0.060 . 1 . . . . 14 . . . 6955 1
134 . 1 1 34 34 PRO HA H 1 4.883 0.030 . 1 . . . . 14 . . . 6955 1
135 . 1 1 34 34 PRO CB C 13 32.245 0.060 . 1 . . . . 14 . . . 6955 1
136 . 1 1 34 34 PRO HB2 H 1 2.147 0.030 . 1 . . . . 14 . . . 6955 1
137 . 1 1 34 34 PRO HB3 H 1 2.311 0.030 . 1 . . . . 14 . . . 6955 1
138 . 1 1 34 34 PRO CG C 13 27.561 0.060 . 1 . . . . 14 . . . 6955 1
139 . 1 1 34 34 PRO HG2 H 1 2.049 0.030 . 1 . . . . 14 . . . 6955 1
140 . 1 1 34 34 PRO HG3 H 1 2.138 0.030 . 1 . . . . 14 . . . 6955 1
141 . 1 1 34 34 PRO CD C 13 50.976 0.060 . 1 . . . . 14 . . . 6955 1
142 . 1 1 34 34 PRO HD2 H 1 4.145 0.030 . 1 . . . . 14 . . . 6955 1
143 . 1 1 34 34 PRO HD3 H 1 3.801 0.030 . 1 . . . . 14 . . . 6955 1
144 . 1 1 34 34 PRO C C 13 174.770 0.060 . 1 . . . . 14 . . . 6955 1
145 . 1 1 35 35 LEU N N 15 121.945 0.10 . 1 . . . . 15 . . . 6955 1
146 . 1 1 35 35 LEU H H 1 8.485 0.030 . 1 . . . . 15 . . . 6955 1
147 . 1 1 35 35 LEU CA C 13 54.918 0.060 . 1 . . . . 15 . . . 6955 1
148 . 1 1 35 35 LEU HA H 1 4.723 0.030 . 1 . . . . 15 . . . 6955 1
149 . 1 1 35 35 LEU CB C 13 47.644 0.060 . 1 . . . . 15 . . . 6955 1
150 . 1 1 35 35 LEU HB2 H 1 1.277 0.030 . 1 . . . . 15 . . . 6955 1
151 . 1 1 35 35 LEU HB3 H 1 1.589 0.030 . 1 . . . . 15 . . . 6955 1
152 . 1 1 35 35 LEU CG C 13 27.473 0.060 . 1 . . . . 15 . . . 6955 1
153 . 1 1 35 35 LEU HG H 1 1.070 0.030 . 1 . . . . 15 . . . 6955 1
154 . 1 1 35 35 LEU CD1 C 13 25.135 0.060 . 1 . . . . 15 . . . 6955 1
155 . 1 1 35 35 LEU HD11 H 1 0.040 0.030 . 1 . . . . 15 . . . 6955 1
156 . 1 1 35 35 LEU HD12 H 1 0.040 0.030 . 1 . . . . 15 . . . 6955 1
157 . 1 1 35 35 LEU HD13 H 1 0.040 0.030 . 1 . . . . 15 . . . 6955 1
158 . 1 1 35 35 LEU CD2 C 13 22.325 0.060 . 1 . . . . 15 . . . 6955 1
159 . 1 1 35 35 LEU HD21 H 1 0.584 0.030 . 1 . . . . 15 . . . 6955 1
160 . 1 1 35 35 LEU HD22 H 1 0.584 0.030 . 1 . . . . 15 . . . 6955 1
161 . 1 1 35 35 LEU HD23 H 1 0.584 0.030 . 1 . . . . 15 . . . 6955 1
162 . 1 1 35 35 LEU C C 13 174.521 0.060 . 1 . . . . 15 . . . 6955 1
163 . 1 1 36 36 THR N N 15 126.005 0.10 . 1 . . . . 16 . . . 6955 1
164 . 1 1 36 36 THR H H 1 8.582 0.030 . 1 . . . . 16 . . . 6955 1
165 . 1 1 36 36 THR CA C 13 62.230 0.060 . 1 . . . . 16 . . . 6955 1
166 . 1 1 36 36 THR HA H 1 5.061 0.030 . 1 . . . . 16 . . . 6955 1
167 . 1 1 36 36 THR CB C 13 69.870 0.060 . 1 . . . . 16 . . . 6955 1
168 . 1 1 36 36 THR HB H 1 3.885 0.030 . 1 . . . . 16 . . . 6955 1
169 . 1 1 36 36 THR CG2 C 13 22.267 0.060 . 1 . . . . 16 . . . 6955 1
170 . 1 1 36 36 THR HG21 H 1 1.137 0.030 . 1 . . . . 16 . . . 6955 1
171 . 1 1 36 36 THR HG22 H 1 1.137 0.030 . 1 . . . . 16 . . . 6955 1
172 . 1 1 36 36 THR HG23 H 1 1.137 0.030 . 1 . . . . 16 . . . 6955 1
173 . 1 1 36 36 THR C C 13 173.931 0.060 . 1 . . . . 16 . . . 6955 1
174 . 1 1 37 37 VAL N N 15 128.059 0.10 . 1 . . . . 17 . . . 6955 1
175 . 1 1 37 37 VAL H H 1 9.484 0.030 . 1 . . . . 17 . . . 6955 1
176 . 1 1 37 37 VAL CA C 13 60.913 0.060 . 1 . . . . 17 . . . 6955 1
177 . 1 1 37 37 VAL HA H 1 4.529 0.030 . 1 . . . . 17 . . . 6955 1
178 . 1 1 37 37 VAL CB C 13 34.999 0.060 . 1 . . . . 17 . . . 6955 1
179 . 1 1 37 37 VAL HB H 1 1.995 0.030 . 1 . . . . 17 . . . 6955 1
180 . 1 1 37 37 VAL CG2 C 13 21.741 0.060 . 1 . . . . 17 . . . 6955 1
181 . 1 1 37 37 VAL HG21 H 1 0.395 0.030 . 1 . . . . 17 . . . 6955 1
182 . 1 1 37 37 VAL HG22 H 1 0.395 0.030 . 1 . . . . 17 . . . 6955 1
183 . 1 1 37 37 VAL HG23 H 1 0.395 0.030 . 1 . . . . 17 . . . 6955 1
184 . 1 1 37 37 VAL CG1 C 13 20.767 0.060 . 1 . . . . 17 . . . 6955 1
185 . 1 1 37 37 VAL HG11 H 1 0.421 0.030 . 1 . . . . 17 . . . 6955 1
186 . 1 1 37 37 VAL HG12 H 1 0.421 0.030 . 1 . . . . 17 . . . 6955 1
187 . 1 1 37 37 VAL HG13 H 1 0.421 0.030 . 1 . . . . 17 . . . 6955 1
188 . 1 1 37 37 VAL C C 13 174.063 0.060 . 1 . . . . 17 . . . 6955 1
189 . 1 1 38 38 LYS N N 15 125.808 0.10 . 1 . . . . 18 . . . 6955 1
190 . 1 1 38 38 LYS H H 1 8.909 0.030 . 1 . . . . 18 . . . 6955 1
191 . 1 1 38 38 LYS CA C 13 54.469 0.060 . 1 . . . . 18 . . . 6955 1
192 . 1 1 38 38 LYS HA H 1 5.065 0.030 . 1 . . . . 18 . . . 6955 1
193 . 1 1 38 38 LYS CB C 13 33.191 0.060 . 1 . . . . 18 . . . 6955 1
194 . 1 1 38 38 LYS HB2 H 1 1.608 0.030 . 1 . . . . 18 . . . 6955 1
195 . 1 1 38 38 LYS HB3 H 1 1.817 0.030 . 1 . . . . 18 . . . 6955 1
196 . 1 1 38 38 LYS CG C 13 25.027 0.060 . 1 . . . . 18 . . . 6955 1
197 . 1 1 38 38 LYS HG2 H 1 1.341 0.030 . 1 . . . . 18 . . . 6955 1
198 . 1 1 38 38 LYS HG3 H 1 1.426 0.030 . 1 . . . . 18 . . . 6955 1
199 . 1 1 38 38 LYS CD C 13 28.996 0.060 . 1 . . . . 18 . . . 6955 1
200 . 1 1 38 38 LYS HD2 H 1 1.545 0.030 . 1 . . . . 18 . . . 6955 1
201 . 1 1 38 38 LYS HD3 H 1 1.653 0.030 . 1 . . . . 18 . . . 6955 1
202 . 1 1 38 38 LYS CE C 13 44.845 0.060 . 1 . . . . 18 . . . 6955 1
203 . 1 1 38 38 LYS HE2 H 1 2.885 0.030 . 1 . . . . 18 . . . 6955 1
204 . 1 1 38 38 LYS HE3 H 1 2.889 0.030 . 1 . . . . 18 . . . 6955 1
205 . 1 1 38 38 LYS C C 13 175.351 0.060 . 1 . . . . 18 . . . 6955 1
206 . 1 1 39 39 LEU N N 15 128.357 0.10 . 1 . . . . 19 . . . 6955 1
207 . 1 1 39 39 LEU H H 1 9.107 0.030 . 1 . . . . 19 . . . 6955 1
208 . 1 1 39 39 LEU CA C 13 53.991 0.060 . 1 . . . . 19 . . . 6955 1
209 . 1 1 39 39 LEU HA H 1 4.786 0.030 . 1 . . . . 19 . . . 6955 1
210 . 1 1 39 39 LEU CB C 13 44.414 0.060 . 1 . . . . 19 . . . 6955 1
211 . 1 1 39 39 LEU HB2 H 1 1.190 0.030 . 1 . . . . 19 . . . 6955 1
212 . 1 1 39 39 LEU HB3 H 1 1.797 0.030 . 1 . . . . 19 . . . 6955 1
213 . 1 1 39 39 LEU CG C 13 28.077 0.060 . 1 . . . . 19 . . . 6955 1
214 . 1 1 39 39 LEU HG H 1 1.426 0.030 . 1 . . . . 19 . . . 6955 1
215 . 1 1 39 39 LEU CD1 C 13 26.009 0.060 . 1 . . . . 19 . . . 6955 1
216 . 1 1 39 39 LEU HD11 H 1 0.881 0.030 . 1 . . . . 19 . . . 6955 1
217 . 1 1 39 39 LEU HD12 H 1 0.881 0.030 . 1 . . . . 19 . . . 6955 1
218 . 1 1 39 39 LEU HD13 H 1 0.881 0.030 . 1 . . . . 19 . . . 6955 1
219 . 1 1 39 39 LEU CD2 C 13 23.640 0.060 . 1 . . . . 19 . . . 6955 1
220 . 1 1 39 39 LEU HD21 H 1 0.764 0.030 . 1 . . . . 19 . . . 6955 1
221 . 1 1 39 39 LEU HD22 H 1 0.764 0.030 . 1 . . . . 19 . . . 6955 1
222 . 1 1 39 39 LEU HD23 H 1 0.764 0.030 . 1 . . . . 19 . . . 6955 1
223 . 1 1 39 39 LEU C C 13 174.425 0.060 . 1 . . . . 19 . . . 6955 1
224 . 1 1 40 40 ASN N N 15 126.014 0.10 . 1 . . . . 20 . . . 6955 1
225 . 1 1 40 40 ASN H H 1 9.034 0.030 . 1 . . . . 20 . . . 6955 1
226 . 1 1 40 40 ASN CA C 13 51.924 0.060 . 1 . . . . 20 . . . 6955 1
227 . 1 1 40 40 ASN HA H 1 5.037 0.030 . 1 . . . . 20 . . . 6955 1
228 . 1 1 40 40 ASN CB C 13 39.299 0.060 . 1 . . . . 20 . . . 6955 1
229 . 1 1 40 40 ASN HB2 H 1 2.649 0.030 . 1 . . . . 20 . . . 6955 1
230 . 1 1 40 40 ASN HB3 H 1 3.048 0.030 . 1 . . . . 20 . . . 6955 1
231 . 1 1 40 40 ASN C C 13 174.900 0.060 . 1 . . . . 20 . . . 6955 1
232 . 1 1 41 41 ASN N N 15 123.151 0.10 . 1 . . . . 21 . . . 6955 1
233 . 1 1 41 41 ASN H H 1 8.798 0.030 . 1 . . . . 21 . . . 6955 1
234 . 1 1 41 41 ASN CA C 13 58.458 0.060 . 1 . . . . 21 . . . 6955 1
235 . 1 1 41 41 ASN HA H 1 5.046 0.030 . 1 . . . . 21 . . . 6955 1
236 . 1 1 41 41 ASN CB C 13 37.013 0.060 . 1 . . . . 21 . . . 6955 1
237 . 1 1 41 41 ASN HB2 H 1 2.647 0.030 . 1 . . . . 21 . . . 6955 1
238 . 1 1 41 41 ASN HB3 H 1 3.051 0.030 . 1 . . . . 21 . . . 6955 1
239 . 1 1 42 42 PRO CA C 13 66.521 0.060 . 1 . . . . 22 . . . 6955 1
240 . 1 1 42 42 PRO HA H 1 4.401 0.030 . 1 . . . . 22 . . . 6955 1
241 . 1 1 42 42 PRO CB C 13 31.207 0.060 . 1 . . . . 22 . . . 6955 1
242 . 1 1 42 42 PRO HB2 H 1 1.879 0.030 . 1 . . . . 22 . . . 6955 1
243 . 1 1 42 42 PRO HB3 H 1 2.422 0.030 . 1 . . . . 22 . . . 6955 1
244 . 1 1 42 42 PRO CG C 13 28.520 0.060 . 1 . . . . 22 . . . 6955 1
245 . 1 1 42 42 PRO HG2 H 1 2.212 0.030 . 1 . . . . 22 . . . 6955 1
246 . 1 1 42 42 PRO HG3 H 1 2.059 0.030 . 1 . . . . 22 . . . 6955 1
247 . 1 1 42 42 PRO CD C 13 50.555 0.060 . 1 . . . . 22 . . . 6955 1
248 . 1 1 42 42 PRO HD2 H 1 4.125 0.030 . 1 . . . . 22 . . . 6955 1
249 . 1 1 42 42 PRO HD3 H 1 4.151 0.030 . 1 . . . . 22 . . . 6955 1
250 . 1 1 42 42 PRO C C 13 178.390 0.060 . 1 . . . . 22 . . . 6955 1
251 . 1 1 43 43 ARG N N 15 112.297 0.10 . 1 . . . . 23 . . . 6955 1
252 . 1 1 43 43 ARG H H 1 7.437 0.030 . 1 . . . . 23 . . . 6955 1
253 . 1 1 43 43 ARG CA C 13 55.895 0.060 . 1 . . . . 23 . . . 6955 1
254 . 1 1 43 43 ARG HA H 1 4.379 0.030 . 1 . . . . 23 . . . 6955 1
255 . 1 1 43 43 ARG CB C 13 31.084 0.060 . 1 . . . . 23 . . . 6955 1
256 . 1 1 43 43 ARG HB2 H 1 1.887 0.030 . 1 . . . . 23 . . . 6955 1
257 . 1 1 43 43 ARG HB3 H 1 2.085 0.030 . 1 . . . . 23 . . . 6955 1
258 . 1 1 43 43 ARG CG C 13 28.072 0.060 . 1 . . . . 23 . . . 6955 1
259 . 1 1 43 43 ARG HG2 H 1 1.603 0.030 . 1 . . . . 23 . . . 6955 1
260 . 1 1 43 43 ARG HG3 H 1 1.362 0.030 . 1 . . . . 23 . . . 6955 1
261 . 1 1 43 43 ARG CD C 13 43.276 0.060 . 1 . . . . 23 . . . 6955 1
262 . 1 1 43 43 ARG HD2 H 1 3.273 0.030 . 1 . . . . 23 . . . 6955 1
263 . 1 1 43 43 ARG HD3 H 1 3.209 0.030 . 1 . . . . 23 . . . 6955 1
264 . 1 1 43 43 ARG C C 13 174.908 0.060 . 1 . . . . 23 . . . 6955 1
265 . 1 1 44 44 GLN N N 15 118.086 0.10 . 1 . . . . 24 . . . 6955 1
266 . 1 1 44 44 GLN H H 1 8.290 0.030 . 1 . . . . 24 . . . 6955 1
267 . 1 1 44 44 GLN CA C 13 56.725 0.060 . 1 . . . . 24 . . . 6955 1
268 . 1 1 44 44 GLN HA H 1 4.234 0.030 . 1 . . . . 24 . . . 6955 1
269 . 1 1 44 44 GLN CB C 13 26.958 0.060 . 1 . . . . 24 . . . 6955 1
270 . 1 1 44 44 GLN HB2 H 1 2.410 0.030 . 1 . . . . 24 . . . 6955 1
271 . 1 1 44 44 GLN HB3 H 1 2.501 0.030 . 1 . . . . 24 . . . 6955 1
272 . 1 1 44 44 GLN CG C 13 34.511 0.060 . 1 . . . . 24 . . . 6955 1
273 . 1 1 44 44 GLN HG2 H 1 2.355 0.030 . 1 . . . . 24 . . . 6955 1
274 . 1 1 44 44 GLN HG3 H 1 2.516 0.030 . 1 . . . . 24 . . . 6955 1
275 . 1 1 44 44 GLN C C 13 174.137 0.060 . 1 . . . . 24 . . . 6955 1
276 . 1 1 45 45 GLU N N 15 115.674 0.10 . 1 . . . . 25 . . . 6955 1
277 . 1 1 45 45 GLU H H 1 7.749 0.030 . 1 . . . . 25 . . . 6955 1
278 . 1 1 45 45 GLU CA C 13 54.368 0.060 . 1 . . . . 25 . . . 6955 1
279 . 1 1 45 45 GLU HA H 1 5.747 0.030 . 1 . . . . 25 . . . 6955 1
280 . 1 1 45 45 GLU CB C 13 36.530 0.060 . 1 . . . . 25 . . . 6955 1
281 . 1 1 45 45 GLU HB2 H 1 1.812 0.030 . 1 . . . . 25 . . . 6955 1
282 . 1 1 45 45 GLU HB3 H 1 1.922 0.030 . 1 . . . . 25 . . . 6955 1
283 . 1 1 45 45 GLU HG2 H 1 2.072 0.030 . 1 . . . . 25 . . . 6955 1
284 . 1 1 45 45 GLU HG3 H 1 2.228 0.030 . 1 . . . . 25 . . . 6955 1
285 . 1 1 45 45 GLU C C 13 175.793 0.060 . 1 . . . . 25 . . . 6955 1
286 . 1 1 46 46 VAL N N 15 117.000 0.10 . 1 . . . . 26 . . . 6955 1
287 . 1 1 46 46 VAL H H 1 8.620 0.030 . 1 . . . . 26 . . . 6955 1
288 . 1 1 46 46 VAL CA C 13 58.867 0.060 . 1 . . . . 26 . . . 6955 1
289 . 1 1 46 46 VAL HA H 1 5.254 0.030 . 1 . . . . 26 . . . 6955 1
290 . 1 1 46 46 VAL CB C 13 34.800 0.060 . 1 . . . . 26 . . . 6955 1
291 . 1 1 46 46 VAL HB H 1 1.346 0.030 . 1 . . . . 26 . . . 6955 1
292 . 1 1 46 46 VAL CG2 C 13 19.305 0.060 . 1 . . . . 26 . . . 6955 1
293 . 1 1 46 46 VAL HG21 H 1 0.225 0.030 . 1 . . . . 26 . . . 6955 1
294 . 1 1 46 46 VAL HG22 H 1 0.225 0.030 . 1 . . . . 26 . . . 6955 1
295 . 1 1 46 46 VAL HG23 H 1 0.225 0.030 . 1 . . . . 26 . . . 6955 1
296 . 1 1 46 46 VAL CG1 C 13 20.709 0.060 . 1 . . . . 26 . . . 6955 1
297 . 1 1 46 46 VAL HG11 H 1 0.002 0.030 . 1 . . . . 26 . . . 6955 1
298 . 1 1 46 46 VAL HG12 H 1 0.002 0.030 . 1 . . . . 26 . . . 6955 1
299 . 1 1 46 46 VAL HG13 H 1 0.002 0.030 . 1 . . . . 26 . . . 6955 1
300 . 1 1 46 46 VAL C C 13 176.266 0.060 . 1 . . . . 26 . . . 6955 1
301 . 1 1 47 47 SER N N 15 115.794 0.10 . 1 . . . . 27 . . . 6955 1
302 . 1 1 47 47 SER H H 1 8.787 0.030 . 1 . . . . 27 . . . 6955 1
303 . 1 1 47 47 SER CA C 13 56.314 0.060 . 1 . . . . 27 . . . 6955 1
304 . 1 1 47 47 SER HA H 1 5.315 0.030 . 1 . . . . 27 . . . 6955 1
305 . 1 1 47 47 SER CB C 13 66.293 0.060 . 1 . . . . 27 . . . 6955 1
306 . 1 1 47 47 SER HB2 H 1 3.578 0.030 . 1 . . . . 27 . . . 6955 1
307 . 1 1 47 47 SER HB3 H 1 3.568 0.030 . 1 . . . . 27 . . . 6955 1
308 . 1 1 47 47 SER C C 13 173.382 0.060 . 1 . . . . 27 . . . 6955 1
309 . 1 1 48 48 PHE N N 15 116.719 0.10 . 1 . . . . 28 . . . 6955 1
310 . 1 1 48 48 PHE H H 1 7.420 0.030 . 1 . . . . 28 . . . 6955 1
311 . 1 1 48 48 PHE CA C 13 55.863 0.060 . 1 . . . . 28 . . . 6955 1
312 . 1 1 48 48 PHE HA H 1 4.760 0.030 . 1 . . . . 28 . . . 6955 1
313 . 1 1 48 48 PHE CB C 13 39.852 0.060 . 1 . . . . 28 . . . 6955 1
314 . 1 1 48 48 PHE HB2 H 1 2.916 0.030 . 1 . . . . 28 . . . 6955 1
315 . 1 1 48 48 PHE HB3 H 1 3.705 0.030 . 1 . . . . 28 . . . 6955 1
316 . 1 1 48 48 PHE HD1 H 1 7.200 0.030 . 3 . . . . 28 . . . 6955 1
317 . 1 1 48 48 PHE C C 13 172.248 0.060 . 1 . . . . 28 . . . 6955 1
318 . 1 1 49 49 VAL N N 15 120.689 0.10 . 1 . . . . 29 . . . 6955 1
319 . 1 1 49 49 VAL H H 1 8.846 0.030 . 1 . . . . 29 . . . 6955 1
320 . 1 1 49 49 VAL CA C 13 61.094 0.060 . 1 . . . . 29 . . . 6955 1
321 . 1 1 49 49 VAL HA H 1 4.883 0.030 . 1 . . . . 29 . . . 6955 1
322 . 1 1 49 49 VAL CB C 13 32.655 0.060 . 1 . . . . 29 . . . 6955 1
323 . 1 1 49 49 VAL HB H 1 1.884 0.030 . 1 . . . . 29 . . . 6955 1
324 . 1 1 49 49 VAL CG2 C 13 20.849 0.060 . 1 . . . . 29 . . . 6955 1
325 . 1 1 49 49 VAL HG21 H 1 0.716 0.030 . 1 . . . . 29 . . . 6955 1
326 . 1 1 49 49 VAL HG22 H 1 0.716 0.030 . 1 . . . . 29 . . . 6955 1
327 . 1 1 49 49 VAL HG23 H 1 0.716 0.030 . 1 . . . . 29 . . . 6955 1
328 . 1 1 49 49 VAL CG1 C 13 22.230 0.060 . 1 . . . . 29 . . . 6955 1
329 . 1 1 49 49 VAL HG11 H 1 0.742 0.030 . 1 . . . . 29 . . . 6955 1
330 . 1 1 49 49 VAL HG12 H 1 0.742 0.030 . 1 . . . . 29 . . . 6955 1
331 . 1 1 49 49 VAL HG13 H 1 0.742 0.030 . 1 . . . . 29 . . . 6955 1
332 . 1 1 49 49 VAL C C 13 175.917 0.060 . 1 . . . . 29 . . . 6955 1
333 . 1 1 50 50 TYR N N 15 127.171 0.10 . 1 . . . . 30 . . . 6955 1
334 . 1 1 50 50 TYR H H 1 8.685 0.030 . 1 . . . . 30 . . . 6955 1
335 . 1 1 50 50 TYR CA C 13 58.877 0.060 . 1 . . . . 30 . . . 6955 1
336 . 1 1 50 50 TYR HA H 1 4.397 0.030 . 1 . . . . 30 . . . 6955 1
337 . 1 1 50 50 TYR CB C 13 42.104 0.060 . 1 . . . . 30 . . . 6955 1
338 . 1 1 50 50 TYR HB2 H 1 2.503 0.030 . 1 . . . . 30 . . . 6955 1
339 . 1 1 50 50 TYR HB3 H 1 2.984 0.030 . 1 . . . . 30 . . . 6955 1
340 . 1 1 50 50 TYR C C 13 174.386 0.060 . 1 . . . . 30 . . . 6955 1
341 . 1 1 51 51 ASP N N 15 128.216 0.10 . 1 . . . . 31 . . . 6955 1
342 . 1 1 51 51 ASP H H 1 8.206 0.030 . 1 . . . . 31 . . . 6955 1
343 . 1 1 51 51 ASP CA C 13 55.311 0.060 . 1 . . . . 31 . . . 6955 1
344 . 1 1 51 51 ASP HA H 1 3.984 0.030 . 1 . . . . 31 . . . 6955 1
345 . 1 1 51 51 ASP CB C 13 39.022 0.060 . 1 . . . . 31 . . . 6955 1
346 . 1 1 51 51 ASP HB2 H 1 2.217 0.030 . 1 . . . . 31 . . . 6955 1
347 . 1 1 51 51 ASP HB3 H 1 2.990 0.030 . 1 . . . . 31 . . . 6955 1
348 . 1 1 51 51 ASP C C 13 175.370 0.060 . 1 . . . . 31 . . . 6955 1
349 . 1 1 52 52 ASN N N 15 108.599 0.10 . 1 . . . . 32 . . . 6955 1
350 . 1 1 52 52 ASN H H 1 8.521 0.030 . 1 . . . . 32 . . . 6955 1
351 . 1 1 52 52 ASN CA C 13 54.766 0.060 . 1 . . . . 32 . . . 6955 1
352 . 1 1 52 52 ASN HA H 1 4.041 0.030 . 1 . . . . 32 . . . 6955 1
353 . 1 1 52 52 ASN CB C 13 37.982 0.060 . 1 . . . . 32 . . . 6955 1
354 . 1 1 52 52 ASN HB2 H 1 2.848 0.030 . 1 . . . . 32 . . . 6955 1
355 . 1 1 52 52 ASN HB3 H 1 3.042 0.030 . 1 . . . . 32 . . . 6955 1
356 . 1 1 52 52 ASN C C 13 173.580 0.060 . 1 . . . . 32 . . . 6955 1
357 . 1 1 53 53 GLN N N 15 118.367 0.10 . 1 . . . . 33 . . . 6955 1
358 . 1 1 53 53 GLN H H 1 7.732 0.030 . 1 . . . . 33 . . . 6955 1
359 . 1 1 53 53 GLN CA C 13 54.372 0.060 . 1 . . . . 33 . . . 6955 1
360 . 1 1 53 53 GLN HA H 1 4.546 0.030 . 1 . . . . 33 . . . 6955 1
361 . 1 1 53 53 GLN CB C 13 32.185 0.060 . 1 . . . . 33 . . . 6955 1
362 . 1 1 53 53 GLN HB2 H 1 2.100 0.030 . 1 . . . . 33 . . . 6955 1
363 . 1 1 53 53 GLN HB3 H 1 2.343 0.030 . 1 . . . . 33 . . . 6955 1
364 . 1 1 53 53 GLN CG C 13 39.257 0.060 . 1 . . . . 33 . . . 6955 1
365 . 1 1 53 53 GLN HG2 H 1 2.315 0.030 . 1 . . . . 33 . . . 6955 1
366 . 1 1 53 53 GLN HG3 H 1 1.990 0.030 . 1 . . . . 33 . . . 6955 1
367 . 1 1 53 53 GLN C C 13 172.938 0.060 . 1 . . . . 33 . . . 6955 1
368 . 1 1 54 54 LEU N N 15 124.397 0.10 . 1 . . . . 34 . . . 6955 1
369 . 1 1 54 54 LEU H H 1 8.369 0.030 . 1 . . . . 34 . . . 6955 1
370 . 1 1 54 54 LEU CA C 13 54.852 0.060 . 1 . . . . 34 . . . 6955 1
371 . 1 1 54 54 LEU HA H 1 4.240 0.030 . 1 . . . . 34 . . . 6955 1
372 . 1 1 54 54 LEU CB C 13 41.355 0.060 . 1 . . . . 34 . . . 6955 1
373 . 1 1 54 54 LEU HB2 H 1 1.231 0.030 . 1 . . . . 34 . . . 6955 1
374 . 1 1 54 54 LEU HB3 H 1 1.754 0.030 . 1 . . . . 34 . . . 6955 1
375 . 1 1 54 54 LEU CG C 13 27.094 0.060 . 1 . . . . 34 . . . 6955 1
376 . 1 1 54 54 LEU HG H 1 1.224 0.030 . 1 . . . . 34 . . . 6955 1
377 . 1 1 54 54 LEU CD1 C 13 26.109 0.060 . 1 . . . . 34 . . . 6955 1
378 . 1 1 54 54 LEU HD11 H 1 0.873 0.030 . 1 . . . . 34 . . . 6955 1
379 . 1 1 54 54 LEU HD12 H 1 0.873 0.030 . 1 . . . . 34 . . . 6955 1
380 . 1 1 54 54 LEU HD13 H 1 0.873 0.030 . 1 . . . . 34 . . . 6955 1
381 . 1 1 54 54 LEU CD2 C 13 23.105 0.060 . 1 . . . . 34 . . . 6955 1
382 . 1 1 54 54 LEU HD21 H 1 0.613 0.030 . 1 . . . . 34 . . . 6955 1
383 . 1 1 54 54 LEU HD22 H 1 0.613 0.030 . 1 . . . . 34 . . . 6955 1
384 . 1 1 54 54 LEU HD23 H 1 0.613 0.030 . 1 . . . . 34 . . . 6955 1
385 . 1 1 54 54 LEU C C 13 175.008 0.060 . 1 . . . . 34 . . . 6955 1
386 . 1 1 55 55 LEU N N 15 130.105 0.10 . 1 . . . . 35 . . . 6955 1
387 . 1 1 55 55 LEU H H 1 8.514 0.030 . 1 . . . . 35 . . . 6955 1
388 . 1 1 55 55 LEU CA C 13 53.748 0.060 . 1 . . . . 35 . . . 6955 1
389 . 1 1 55 55 LEU HA H 1 4.313 0.030 . 1 . . . . 35 . . . 6955 1
390 . 1 1 55 55 LEU CB C 13 42.762 0.060 . 1 . . . . 35 . . . 6955 1
391 . 1 1 55 55 LEU HB2 H 1 0.667 0.030 . 1 . . . . 35 . . . 6955 1
392 . 1 1 55 55 LEU HB3 H 1 0.743 0.030 . 1 . . . . 35 . . . 6955 1
393 . 1 1 55 55 LEU CG C 13 26.819 0.060 . 1 . . . . 35 . . . 6955 1
394 . 1 1 55 55 LEU HG H 1 1.285 0.030 . 1 . . . . 35 . . . 6955 1
395 . 1 1 55 55 LEU CD1 C 13 25.072 0.060 . 1 . . . . 35 . . . 6955 1
396 . 1 1 55 55 LEU HD11 H 1 -0.226 0.030 . 1 . . . . 35 . . . 6955 1
397 . 1 1 55 55 LEU HD12 H 1 -0.226 0.030 . 1 . . . . 35 . . . 6955 1
398 . 1 1 55 55 LEU HD13 H 1 -0.226 0.030 . 1 . . . . 35 . . . 6955 1
399 . 1 1 55 55 LEU CD2 C 13 23.047 0.060 . 1 . . . . 35 . . . 6955 1
400 . 1 1 55 55 LEU HD21 H 1 0.356 0.030 . 1 . . . . 35 . . . 6955 1
401 . 1 1 55 55 LEU HD22 H 1 0.356 0.030 . 1 . . . . 35 . . . 6955 1
402 . 1 1 55 55 LEU HD23 H 1 0.356 0.030 . 1 . . . . 35 . . . 6955 1
403 . 1 1 55 55 LEU C C 13 175.678 0.060 . 1 . . . . 35 . . . 6955 1
404 . 1 1 56 56 HIS N N 15 117.724 0.10 . 1 . . . . 36 . . . 6955 1
405 . 1 1 56 56 HIS H H 1 8.546 0.030 . 1 . . . . 36 . . . 6955 1
406 . 1 1 56 56 HIS CA C 13 55.195 0.060 . 1 . . . . 36 . . . 6955 1
407 . 1 1 56 56 HIS HA H 1 4.557 0.030 . 1 . . . . 36 . . . 6955 1
408 . 1 1 56 56 HIS CB C 13 31.023 0.060 . 1 . . . . 36 . . . 6955 1
409 . 1 1 56 56 HIS HB2 H 1 2.817 0.030 . 1 . . . . 36 . . . 6955 1
410 . 1 1 56 56 HIS HB3 H 1 3.012 0.030 . 1 . . . . 36 . . . 6955 1
411 . 1 1 56 56 HIS C C 13 173.738 0.060 . 1 . . . . 36 . . . 6955 1
412 . 1 1 57 57 LEU N N 15 123.525 0.10 . 1 . . . . 37 . . . 6955 1
413 . 1 1 57 57 LEU H H 1 9.318 0.030 . 1 . . . . 37 . . . 6955 1
414 . 1 1 57 57 LEU CA C 13 53.836 0.060 . 1 . . . . 37 . . . 6955 1
415 . 1 1 57 57 LEU HA H 1 4.563 0.030 . 1 . . . . 37 . . . 6955 1
416 . 1 1 57 57 LEU CB C 13 42.998 0.060 . 1 . . . . 37 . . . 6955 1
417 . 1 1 57 57 LEU HB2 H 1 1.143 0.030 . 1 . . . . 37 . . . 6955 1
418 . 1 1 57 57 LEU HB3 H 1 1.857 0.030 . 1 . . . . 37 . . . 6955 1
419 . 1 1 57 57 LEU HG H 1 1.430 0.030 . 1 . . . . 37 . . . 6955 1
420 . 1 1 57 57 LEU CD1 C 13 27.506 0.060 . 1 . . . . 37 . . . 6955 1
421 . 1 1 57 57 LEU HD11 H 1 0.766 0.030 . 1 . . . . 37 . . . 6955 1
422 . 1 1 57 57 LEU HD12 H 1 0.766 0.030 . 1 . . . . 37 . . . 6955 1
423 . 1 1 57 57 LEU HD13 H 1 0.766 0.030 . 1 . . . . 37 . . . 6955 1
424 . 1 1 57 57 LEU CD2 C 13 25.826 0.060 . 1 . . . . 37 . . . 6955 1
425 . 1 1 57 57 LEU HD21 H 1 0.862 0.030 . 1 . . . . 37 . . . 6955 1
426 . 1 1 57 57 LEU HD22 H 1 0.862 0.030 . 1 . . . . 37 . . . 6955 1
427 . 1 1 57 57 LEU HD23 H 1 0.862 0.030 . 1 . . . . 37 . . . 6955 1
428 . 1 1 57 57 LEU C C 13 174.779 0.060 . 1 . . . . 37 . . . 6955 1
429 . 1 1 58 58 LYS N N 15 125.121 0.10 . 1 . . . . 38 . . . 6955 1
430 . 1 1 58 58 LYS H H 1 7.995 0.030 . 1 . . . . 38 . . . 6955 1
431 . 1 1 58 58 LYS CA C 13 55.674 0.060 . 1 . . . . 38 . . . 6955 1
432 . 1 1 58 58 LYS HA H 1 5.201 0.030 . 1 . . . . 38 . . . 6955 1
433 . 1 1 58 58 LYS CB C 13 34.943 0.060 . 1 . . . . 38 . . . 6955 1
434 . 1 1 58 58 LYS HB2 H 1 2.174 0.030 . 1 . . . . 38 . . . 6955 1
435 . 1 1 58 58 LYS HB3 H 1 2.059 0.030 . 1 . . . . 38 . . . 6955 1
436 . 1 1 58 58 LYS CG C 13 25.018 0.060 . 1 . . . . 38 . . . 6955 1
437 . 1 1 58 58 LYS HG2 H 1 1.586 0.030 . 1 . . . . 38 . . . 6955 1
438 . 1 1 58 58 LYS HG3 H 1 1.730 0.030 . 1 . . . . 38 . . . 6955 1
439 . 1 1 58 58 LYS CD C 13 29.094 0.060 . 1 . . . . 38 . . . 6955 1
440 . 1 1 58 58 LYS HD2 H 1 1.898 0.030 . 1 . . . . 38 . . . 6955 1
441 . 1 1 58 58 LYS HD3 H 1 1.984 0.030 . 1 . . . . 38 . . . 6955 1
442 . 1 1 58 58 LYS CE C 13 42.594 0.060 . 1 . . . . 38 . . . 6955 1
443 . 1 1 58 58 LYS HE2 H 1 3.144 0.030 . 1 . . . . 38 . . . 6955 1
444 . 1 1 58 58 LYS HE3 H 1 3.206 0.030 . 1 . . . . 38 . . . 6955 1
445 . 1 1 58 58 LYS C C 13 177.635 0.060 . 1 . . . . 38 . . . 6955 1
446 . 1 1 59 59 GLN N N 15 127.475 0.10 . 1 . . . . 39 . . . 6955 1
447 . 1 1 59 59 GLN H H 1 9.112 0.030 . 1 . . . . 39 . . . 6955 1
448 . 1 1 59 59 GLN CA C 13 58.305 0.060 . 1 . . . . 39 . . . 6955 1
449 . 1 1 59 59 GLN HA H 1 3.903 0.030 . 1 . . . . 39 . . . 6955 1
450 . 1 1 59 59 GLN CB C 13 28.929 0.060 . 1 . . . . 39 . . . 6955 1
451 . 1 1 59 59 GLN HB2 H 1 2.141 0.030 . 1 . . . . 39 . . . 6955 1
452 . 1 1 59 59 GLN HB3 H 1 1.947 0.030 . 1 . . . . 39 . . . 6955 1
453 . 1 1 59 59 GLN CG C 13 33.418 0.060 . 1 . . . . 39 . . . 6955 1
454 . 1 1 59 59 GLN HG2 H 1 1.539 0.030 . 1 . . . . 39 . . . 6955 1
455 . 1 1 59 59 GLN HG3 H 1 2.501 0.030 . 1 . . . . 39 . . . 6955 1
456 . 1 1 59 59 GLN C C 13 176.265 0.060 . 1 . . . . 39 . . . 6955 1
457 . 1 1 60 60 GLY N N 15 115.392 0.10 . 1 . . . . 40 . . . 6955 1
458 . 1 1 60 60 GLY H H 1 8.784 0.030 . 1 . . . . 40 . . . 6955 1
459 . 1 1 60 60 GLY CA C 13 43.679 0.060 . 1 . . . . 40 . . . 6955 1
460 . 1 1 60 60 GLY HA2 H 1 3.678 0.030 . 1 . . . . 40 . . . 6955 1
461 . 1 1 60 60 GLY HA3 H 1 4.608 0.030 . 1 . . . . 40 . . . 6955 1
462 . 1 1 60 60 GLY C C 13 173.335 0.060 . 1 . . . . 40 . . . 6955 1
463 . 1 1 61 61 ILE N N 15 121.784 0.10 . 1 . . . . 41 . . . 6955 1
464 . 1 1 61 61 ILE H H 1 8.402 0.030 . 1 . . . . 41 . . . 6955 1
465 . 1 1 61 61 ILE CA C 13 61.470 0.060 . 1 . . . . 41 . . . 6955 1
466 . 1 1 61 61 ILE HA H 1 4.203 0.030 . 1 . . . . 41 . . . 6955 1
467 . 1 1 61 61 ILE CB C 13 38.495 0.060 . 1 . . . . 41 . . . 6955 1
468 . 1 1 61 61 ILE HB H 1 1.760 0.030 . 1 . . . . 41 . . . 6955 1
469 . 1 1 61 61 ILE CG1 C 13 27.641 0.060 . 1 . . . . 41 . . . 6955 1
470 . 1 1 61 61 ILE HG12 H 1 1.512 0.030 . 1 . . . . 41 . . . 6955 1
471 . 1 1 61 61 ILE HG13 H 1 1.218 0.030 . 1 . . . . 41 . . . 6955 1
472 . 1 1 61 61 ILE CD1 C 13 12.664 0.060 . 1 . . . . 41 . . . 6955 1
473 . 1 1 61 61 ILE HD11 H 1 0.868 0.030 . 1 . . . . 41 . . . 6955 1
474 . 1 1 61 61 ILE HD12 H 1 0.868 0.030 . 1 . . . . 41 . . . 6955 1
475 . 1 1 61 61 ILE HD13 H 1 0.868 0.030 . 1 . . . . 41 . . . 6955 1
476 . 1 1 61 61 ILE CG2 C 13 17.308 0.060 . 1 . . . . 41 . . . 6955 1
477 . 1 1 61 61 ILE HG21 H 1 0.876 0.030 . 1 . . . . 41 . . . 6955 1
478 . 1 1 61 61 ILE HG22 H 1 0.876 0.030 . 1 . . . . 41 . . . 6955 1
479 . 1 1 61 61 ILE HG23 H 1 0.876 0.030 . 1 . . . . 41 . . . 6955 1
480 . 1 1 61 61 ILE C C 13 176.528 0.060 . 1 . . . . 41 . . . 6955 1
481 . 1 1 62 62 SER N N 15 118.407 0.10 . 1 . . . . 42 . . . 6955 1
482 . 1 1 62 62 SER H H 1 8.451 0.030 . 1 . . . . 42 . . . 6955 1
483 . 1 1 62 62 SER CA C 13 57.417 0.060 . 1 . . . . 42 . . . 6955 1
484 . 1 1 62 62 SER HA H 1 5.237 0.030 . 1 . . . . 42 . . . 6955 1
485 . 1 1 62 62 SER CB C 13 65.364 0.060 . 1 . . . . 42 . . . 6955 1
486 . 1 1 62 62 SER HB2 H 1 3.835 0.030 . 1 . . . . 42 . . . 6955 1
487 . 1 1 62 62 SER HB3 H 1 3.718 0.030 . 1 . . . . 42 . . . 6955 1
488 . 1 1 63 63 ALA N N 15 121.543 0.10 . 1 . . . . 43 . . . 6955 1
489 . 1 1 63 63 ALA H H 1 8.047 0.030 . 1 . . . . 43 . . . 6955 1
490 . 1 1 63 63 ALA CA C 13 53.795 0.060 . 1 . . . . 43 . . . 6955 1
491 . 1 1 63 63 ALA HA H 1 4.405 0.030 . 1 . . . . 43 . . . 6955 1
492 . 1 1 63 63 ALA CB C 13 19.191 0.060 . 1 . . . . 43 . . . 6955 1
493 . 1 1 63 63 ALA HB1 H 1 1.526 0.030 . 1 . . . . 43 . . . 6955 1
494 . 1 1 63 63 ALA HB2 H 1 1.526 0.030 . 1 . . . . 43 . . . 6955 1
495 . 1 1 63 63 ALA HB3 H 1 1.526 0.030 . 1 . . . . 43 . . . 6955 1
496 . 1 1 63 63 ALA C C 13 177.634 0.060 . 1 . . . . 43 . . . 6955 1
497 . 1 1 64 64 SER N N 15 109.966 0.10 . 1 . . . . 44 . . . 6955 1
498 . 1 1 64 64 SER H H 1 7.727 0.030 . 1 . . . . 44 . . . 6955 1
499 . 1 1 64 64 SER CA C 13 58.311 0.060 . 1 . . . . 44 . . . 6955 1
500 . 1 1 64 64 SER HA H 1 4.498 0.030 . 1 . . . . 44 . . . 6955 1
501 . 1 1 64 64 SER CB C 13 64.010 0.060 . 1 . . . . 44 . . . 6955 1
502 . 1 1 64 64 SER HB3 H 1 3.915 0.030 . 1 . . . . 44 . . . 6955 1
503 . 1 1 65 65 GLY N N 15 110.488 0.10 . 1 . . . . 45 . . . 6955 1
504 . 1 1 65 65 GLY H H 1 8.374 0.030 . 1 . . . . 45 . . . 6955 1
505 . 1 1 65 65 GLY CA C 13 45.769 0.060 . 1 . . . . 45 . . . 6955 1
506 . 1 1 65 65 GLY HA2 H 1 4.105 0.030 . 1 . . . . 45 . . . 6955 1
507 . 1 1 65 65 GLY HA3 H 1 4.354 0.030 . 1 . . . . 45 . . . 6955 1
508 . 1 1 65 65 GLY C C 13 171.989 0.060 . 1 . . . . 45 . . . 6955 1
509 . 1 1 66 66 ALA N N 15 125.688 0.10 . 1 . . . . 46 . . . 6955 1
510 . 1 1 66 66 ALA H H 1 9.137 0.030 . 1 . . . . 46 . . . 6955 1
511 . 1 1 66 66 ALA CA C 13 51.336 0.060 . 1 . . . . 46 . . . 6955 1
512 . 1 1 66 66 ALA HA H 1 4.775 0.030 . 1 . . . . 46 . . . 6955 1
513 . 1 1 66 66 ALA CB C 13 21.683 0.060 . 1 . . . . 46 . . . 6955 1
514 . 1 1 66 66 ALA HB1 H 1 1.445 0.030 . 1 . . . . 46 . . . 6955 1
515 . 1 1 66 66 ALA HB2 H 1 1.445 0.030 . 1 . . . . 46 . . . 6955 1
516 . 1 1 66 66 ALA HB3 H 1 1.445 0.030 . 1 . . . . 46 . . . 6955 1
517 . 1 1 66 66 ALA C C 13 174.512 0.060 . 1 . . . . 46 . . . 6955 1
518 . 1 1 67 67 ARG N N 15 123.513 0.10 . 1 . . . . 47 . . . 6955 1
519 . 1 1 67 67 ARG H H 1 8.803 0.030 . 1 . . . . 47 . . . 6955 1
520 . 1 1 67 67 ARG CA C 13 55.124 0.060 . 1 . . . . 47 . . . 6955 1
521 . 1 1 67 67 ARG HA H 1 5.185 0.030 . 1 . . . . 47 . . . 6955 1
522 . 1 1 67 67 ARG CB C 13 34.435 0.060 . 1 . . . . 47 . . . 6955 1
523 . 1 1 67 67 ARG HB2 H 1 2.161 0.030 . 1 . . . . 47 . . . 6955 1
524 . 1 1 67 67 ARG HB3 H 1 2.380 0.030 . 1 . . . . 47 . . . 6955 1
525 . 1 1 67 67 ARG CG C 13 29.043 0.060 . 1 . . . . 47 . . . 6955 1
526 . 1 1 67 67 ARG HG2 H 1 1.263 0.030 . 1 . . . . 47 . . . 6955 1
527 . 1 1 67 67 ARG HG3 H 1 1.371 0.030 . 1 . . . . 47 . . . 6955 1
528 . 1 1 67 67 ARG CD C 13 43.153 0.060 . 1 . . . . 47 . . . 6955 1
529 . 1 1 67 67 ARG HD2 H 1 2.367 0.030 . 1 . . . . 47 . . . 6955 1
530 . 1 1 67 67 ARG HD3 H 1 2.660 0.030 . 1 . . . . 47 . . . 6955 1
531 . 1 1 67 67 ARG C C 13 173.907 0.060 . 1 . . . . 47 . . . 6955 1
532 . 1 1 68 68 TYR N N 15 123.957 0.10 . 1 . . . . 48 . . . 6955 1
533 . 1 1 68 68 TYR H H 1 9.380 0.030 . 1 . . . . 48 . . . 6955 1
534 . 1 1 68 68 TYR CA C 13 55.692 0.060 . 1 . . . . 48 . . . 6955 1
535 . 1 1 68 68 TYR HA H 1 5.180 0.030 . 1 . . . . 48 . . . 6955 1
536 . 1 1 68 68 TYR CB C 13 41.266 0.060 . 1 . . . . 48 . . . 6955 1
537 . 1 1 68 68 TYR HB2 H 1 2.762 0.030 . 1 . . . . 48 . . . 6955 1
538 . 1 1 68 68 TYR HB3 H 1 3.000 0.030 . 1 . . . . 48 . . . 6955 1
539 . 1 1 68 68 TYR HD1 H 1 6.650 0.030 . 3 . . . . 48 . . . 6955 1
540 . 1 1 68 68 TYR C C 13 175.410 0.060 . 1 . . . . 48 . . . 6955 1
541 . 1 1 69 69 THR N N 15 116.139 0.10 . 1 . . . . 49 . . . 6955 1
542 . 1 1 69 69 THR H H 1 9.571 0.030 . 1 . . . . 49 . . . 6955 1
543 . 1 1 69 69 THR CA C 13 59.653 0.060 . 1 . . . . 49 . . . 6955 1
544 . 1 1 69 69 THR HA H 1 5.774 0.030 . 1 . . . . 49 . . . 6955 1
545 . 1 1 69 69 THR CB C 13 71.684 0.060 . 1 . . . . 49 . . . 6955 1
546 . 1 1 69 69 THR HB H 1 4.252 0.030 . 1 . . . . 49 . . . 6955 1
547 . 1 1 69 69 THR CG2 C 13 18.299 0.060 . 1 . . . . 49 . . . 6955 1
548 . 1 1 69 69 THR HG21 H 1 1.231 0.030 . 1 . . . . 49 . . . 6955 1
549 . 1 1 69 69 THR HG22 H 1 1.231 0.030 . 1 . . . . 49 . . . 6955 1
550 . 1 1 69 69 THR HG23 H 1 1.231 0.030 . 1 . . . . 49 . . . 6955 1
551 . 1 1 69 69 THR C C 13 171.900 0.060 . 1 . . . . 49 . . . 6955 1
552 . 1 1 70 70 ASP N N 15 127.693 0.10 . 1 . . . . 50 . . . 6955 1
553 . 1 1 70 70 ASP H H 1 8.363 0.030 . 1 . . . . 50 . . . 6955 1
554 . 1 1 70 70 ASP CA C 13 53.491 0.060 . 1 . . . . 50 . . . 6955 1
555 . 1 1 70 70 ASP HA H 1 5.248 0.030 . 1 . . . . 50 . . . 6955 1
556 . 1 1 70 70 ASP CB C 13 41.649 0.060 . 1 . . . . 50 . . . 6955 1
557 . 1 1 70 70 ASP HB2 H 1 2.997 0.030 . 1 . . . . 50 . . . 6955 1
558 . 1 1 70 70 ASP HB3 H 1 3.413 0.030 . 1 . . . . 50 . . . 6955 1
559 . 1 1 70 70 ASP C C 13 177.443 0.060 . 1 . . . . 50 . . . 6955 1
560 . 1 1 71 71 GLY N N 15 111.113 0.10 . 1 . . . . 51 . . . 6955 1
561 . 1 1 71 71 GLY H H 1 9.054 0.030 . 1 . . . . 51 . . . 6955 1
562 . 1 1 71 71 GLY CA C 13 45.161 0.060 . 1 . . . . 51 . . . 6955 1
563 . 1 1 71 71 GLY HA2 H 1 4.611 0.030 . 1 . . . . 51 . . . 6955 1
564 . 1 1 71 71 GLY HA3 H 1 3.659 0.030 . 1 . . . . 51 . . . 6955 1
565 . 1 1 71 71 GLY C C 13 173.794 0.060 . 1 . . . . 51 . . . 6955 1
566 . 1 1 72 72 ILE N N 15 122.535 0.10 . 1 . . . . 52 . . . 6955 1
567 . 1 1 72 72 ILE H H 1 8.841 0.030 . 1 . . . . 52 . . . 6955 1
568 . 1 1 72 72 ILE CA C 13 63.990 0.060 . 1 . . . . 52 . . . 6955 1
569 . 1 1 72 72 ILE HA H 1 4.006 0.030 . 1 . . . . 52 . . . 6955 1
570 . 1 1 72 72 ILE CB C 13 40.139 0.060 . 1 . . . . 52 . . . 6955 1
571 . 1 1 72 72 ILE HB H 1 1.986 0.030 . 1 . . . . 52 . . . 6955 1
572 . 1 1 72 72 ILE CG1 C 13 27.615 0.060 . 1 . . . . 52 . . . 6955 1
573 . 1 1 72 72 ILE HG12 H 1 1.457 0.030 . 1 . . . . 52 . . . 6955 1
574 . 1 1 72 72 ILE HG13 H 1 1.760 0.030 . 1 . . . . 52 . . . 6955 1
575 . 1 1 72 72 ILE CD1 C 13 12.951 0.060 . 1 . . . . 52 . . . 6955 1
576 . 1 1 72 72 ILE HD11 H 1 0.897 0.030 . 1 . . . . 52 . . . 6955 1
577 . 1 1 72 72 ILE HD12 H 1 0.897 0.030 . 1 . . . . 52 . . . 6955 1
578 . 1 1 72 72 ILE HD13 H 1 0.897 0.030 . 1 . . . . 52 . . . 6955 1
579 . 1 1 72 72 ILE CG2 C 13 17.349 0.060 . 1 . . . . 52 . . . 6955 1
580 . 1 1 72 72 ILE HG21 H 1 0.429 0.030 . 1 . . . . 52 . . . 6955 1
581 . 1 1 72 72 ILE HG22 H 1 0.429 0.030 . 1 . . . . 52 . . . 6955 1
582 . 1 1 72 72 ILE HG23 H 1 0.429 0.030 . 1 . . . . 52 . . . 6955 1
583 . 1 1 72 72 ILE C C 13 176.254 0.060 . 1 . . . . 52 . . . 6955 1
584 . 1 1 73 73 TYR N N 15 123.393 0.10 . 1 . . . . 53 . . . 6955 1
585 . 1 1 73 73 TYR H H 1 10.371 0.030 . 1 . . . . 53 . . . 6955 1
586 . 1 1 73 73 TYR CA C 13 57.855 0.060 . 1 . . . . 53 . . . 6955 1
587 . 1 1 73 73 TYR HA H 1 5.377 0.030 . 1 . . . . 53 . . . 6955 1
588 . 1 1 73 73 TYR CB C 13 41.245 0.060 . 1 . . . . 53 . . . 6955 1
589 . 1 1 73 73 TYR HB2 H 1 2.788 0.030 . 1 . . . . 53 . . . 6955 1
590 . 1 1 73 73 TYR HB3 H 1 2.949 0.030 . 1 . . . . 53 . . . 6955 1
591 . 1 1 73 73 TYR C C 13 177.638 0.060 . 1 . . . . 53 . . . 6955 1
592 . 1 1 74 74 VAL N N 15 122.798 0.10 . 1 . . . . 54 . . . 6955 1
593 . 1 1 74 74 VAL H H 1 9.234 0.030 . 1 . . . . 54 . . . 6955 1
594 . 1 1 74 74 VAL CA C 13 60.876 0.060 . 1 . . . . 54 . . . 6955 1
595 . 1 1 74 74 VAL HA H 1 4.764 0.030 . 1 . . . . 54 . . . 6955 1
596 . 1 1 74 74 VAL CB C 13 36.401 0.060 . 1 . . . . 54 . . . 6955 1
597 . 1 1 74 74 VAL HB H 1 2.069 0.030 . 1 . . . . 54 . . . 6955 1
598 . 1 1 74 74 VAL HG21 H 1 0.890 0.030 . 1 . . . . 54 . . . 6955 1
599 . 1 1 74 74 VAL HG22 H 1 0.890 0.030 . 1 . . . . 54 . . . 6955 1
600 . 1 1 74 74 VAL HG23 H 1 0.890 0.030 . 1 . . . . 54 . . . 6955 1
601 . 1 1 74 74 VAL CG1 C 13 21.253 0.060 . 1 . . . . 54 . . . 6955 1
602 . 1 1 74 74 VAL HG11 H 1 0.944 0.030 . 1 . . . . 54 . . . 6955 1
603 . 1 1 74 74 VAL HG12 H 1 0.944 0.030 . 1 . . . . 54 . . . 6955 1
604 . 1 1 74 74 VAL HG13 H 1 0.944 0.030 . 1 . . . . 54 . . . 6955 1
605 . 1 1 74 74 VAL C C 13 174.454 0.060 . 1 . . . . 54 . . . 6955 1
606 . 1 1 75 75 PHE N N 15 128.715 0.10 . 1 . . . . 55 . . . 6955 1
607 . 1 1 75 75 PHE H H 1 9.424 0.030 . 1 . . . . 55 . . . 6955 1
608 . 1 1 75 75 PHE CA C 13 56.980 0.060 . 1 . . . . 55 . . . 6955 1
609 . 1 1 75 75 PHE HA H 1 5.340 0.030 . 1 . . . . 55 . . . 6955 1
610 . 1 1 75 75 PHE CB C 13 43.323 0.060 . 1 . . . . 55 . . . 6955 1
611 . 1 1 75 75 PHE HB2 H 1 3.120 0.030 . 1 . . . . 55 . . . 6955 1
612 . 1 1 75 75 PHE HB3 H 1 2.950 0.030 . 1 . . . . 55 . . . 6955 1
613 . 1 1 75 75 PHE HD1 H 1 7.230 0.030 . 3 . . . . 55 . . . 6955 1
614 . 1 1 75 75 PHE C C 13 172.838 0.060 . 1 . . . . 55 . . . 6955 1
615 . 1 1 76 76 TRP N N 15 131.074 0.10 . 1 . . . . 56 . . . 6955 1
616 . 1 1 76 76 TRP H H 1 8.846 0.030 . 1 . . . . 56 . . . 6955 1
617 . 1 1 76 76 TRP CA C 13 54.577 0.060 . 1 . . . . 56 . . . 6955 1
618 . 1 1 76 76 TRP HA H 1 5.904 0.030 . 1 . . . . 56 . . . 6955 1
619 . 1 1 76 76 TRP CB C 13 31.949 0.060 . 1 . . . . 56 . . . 6955 1
620 . 1 1 76 76 TRP HB2 H 1 2.877 0.030 . 1 . . . . 56 . . . 6955 1
621 . 1 1 76 76 TRP HB3 H 1 3.523 0.030 . 1 . . . . 56 . . . 6955 1
622 . 1 1 76 76 TRP NE1 N 15 128.180 0.10 . 1 . . . . 56 . . . 6955 1
623 . 1 1 76 76 TRP HE1 H 1 10.069 0.030 . 1 . . . . 56 . . . 6955 1
624 . 1 1 76 76 TRP C C 13 174.396 0.060 . 1 . . . . 56 . . . 6955 1
625 . 1 1 77 77 SER N N 15 121.320 0.10 . 1 . . . . 57 . . . 6955 1
626 . 1 1 77 77 SER H H 1 9.239 0.030 . 1 . . . . 57 . . . 6955 1
627 . 1 1 77 77 SER CA C 13 55.720 0.060 . 1 . . . . 57 . . . 6955 1
628 . 1 1 77 77 SER HA H 1 3.933 0.030 . 1 . . . . 57 . . . 6955 1
629 . 1 1 77 77 SER CB C 13 65.459 0.060 . 1 . . . . 57 . . . 6955 1
630 . 1 1 77 77 SER HB2 H 1 3.924 0.030 . 1 . . . . 57 . . . 6955 1
631 . 1 1 77 77 SER HB3 H 1 3.783 0.030 . 1 . . . . 57 . . . 6955 1
632 . 1 1 77 77 SER C C 13 173.106 0.060 . 1 . . . . 57 . . . 6955 1
633 . 1 1 78 78 LYS N N 15 125.563 0.10 . 1 . . . . 58 . . . 6955 1
634 . 1 1 78 78 LYS H H 1 8.239 0.030 . 1 . . . . 58 . . . 6955 1
635 . 1 1 78 78 LYS CA C 13 56.019 0.060 . 1 . . . . 58 . . . 6955 1
636 . 1 1 78 78 LYS HA H 1 4.444 0.030 . 1 . . . . 58 . . . 6955 1
637 . 1 1 78 78 LYS CB C 13 34.274 0.060 . 1 . . . . 58 . . . 6955 1
638 . 1 1 78 78 LYS HB2 H 1 1.557 0.030 . 1 . . . . 58 . . . 6955 1
639 . 1 1 78 78 LYS HB3 H 1 1.345 0.030 . 1 . . . . 58 . . . 6955 1
640 . 1 1 78 78 LYS CG C 13 29.456 0.060 . 1 . . . . 58 . . . 6955 1
641 . 1 1 78 78 LYS HG2 H 1 1.943 0.030 . 1 . . . . 58 . . . 6955 1
642 . 1 1 78 78 LYS HG3 H 1 1.375 0.030 . 1 . . . . 58 . . . 6955 1
643 . 1 1 78 78 LYS CD C 13 24.788 0.060 . 1 . . . . 58 . . . 6955 1
644 . 1 1 78 78 LYS HD2 H 1 1.026 0.030 . 1 . . . . 58 . . . 6955 1
645 . 1 1 78 78 LYS HD3 H 1 1.051 0.030 . 1 . . . . 58 . . . 6955 1
646 . 1 1 78 78 LYS HE2 H 1 2.420 0.030 . 1 . . . . 58 . . . 6955 1
647 . 1 1 78 78 LYS HE3 H 1 2.527 0.030 . 1 . . . . 58 . . . 6955 1
648 . 1 1 78 78 LYS C C 13 176.325 0.060 . 1 . . . . 58 . . . 6955 1
649 . 1 1 79 79 GLY N N 15 117.021 0.10 . 1 . . . . 59 . . . 6955 1
650 . 1 1 79 79 GLY H H 1 8.977 0.030 . 1 . . . . 59 . . . 6955 1
651 . 1 1 79 79 GLY CA C 13 47.537 0.060 . 1 . . . . 59 . . . 6955 1
652 . 1 1 79 79 GLY HA2 H 1 3.720 0.030 . 1 . . . . 59 . . . 6955 1
653 . 1 1 79 79 GLY HA3 H 1 4.056 0.030 . 1 . . . . 59 . . . 6955 1
654 . 1 1 79 79 GLY C C 13 175.039 0.060 . 1 . . . . 59 . . . 6955 1
655 . 1 1 80 80 ASP N N 15 128.421 0.10 . 1 . . . . 60 . . . 6955 1
656 . 1 1 80 80 ASP H H 1 9.065 0.030 . 1 . . . . 60 . . . 6955 1
657 . 1 1 80 80 ASP CA C 13 54.560 0.060 . 1 . . . . 60 . . . 6955 1
658 . 1 1 80 80 ASP HA H 1 4.771 0.030 . 1 . . . . 60 . . . 6955 1
659 . 1 1 80 80 ASP CB C 13 40.921 0.060 . 1 . . . . 60 . . . 6955 1
660 . 1 1 80 80 ASP HB2 H 1 2.800 0.030 . 1 . . . . 60 . . . 6955 1
661 . 1 1 80 80 ASP HB3 H 1 3.050 0.030 . 1 . . . . 60 . . . 6955 1
662 . 1 1 80 80 ASP C C 13 174.188 0.060 . 1 . . . . 60 . . . 6955 1
663 . 1 1 81 81 GLU N N 15 118.367 0.10 . 1 . . . . 61 . . . 6955 1
664 . 1 1 81 81 GLU H H 1 7.932 0.030 . 1 . . . . 61 . . . 6955 1
665 . 1 1 81 81 GLU CA C 13 54.720 0.060 . 1 . . . . 61 . . . 6955 1
666 . 1 1 81 81 GLU HA H 1 5.631 0.030 . 1 . . . . 61 . . . 6955 1
667 . 1 1 81 81 GLU CB C 13 33.841 0.060 . 1 . . . . 61 . . . 6955 1
668 . 1 1 81 81 GLU HB2 H 1 1.927 0.030 . 1 . . . . 61 . . . 6955 1
669 . 1 1 81 81 GLU HB3 H 1 2.082 0.030 . 1 . . . . 61 . . . 6955 1
670 . 1 1 81 81 GLU CG C 13 36.841 0.060 . 1 . . . . 61 . . . 6955 1
671 . 1 1 81 81 GLU HG2 H 1 1.814 0.030 . 1 . . . . 61 . . . 6955 1
672 . 1 1 81 81 GLU HG3 H 1 2.284 0.030 . 1 . . . . 61 . . . 6955 1
673 . 1 1 81 81 GLU C C 13 176.344 0.060 . 1 . . . . 61 . . . 6955 1
674 . 1 1 82 82 ALA N N 15 124.196 0.10 . 1 . . . . 62 . . . 6955 1
675 . 1 1 82 82 ALA H H 1 8.742 0.030 . 1 . . . . 62 . . . 6955 1
676 . 1 1 82 82 ALA CA C 13 51.582 0.060 . 1 . . . . 62 . . . 6955 1
677 . 1 1 82 82 ALA HA H 1 5.093 0.030 . 1 . . . . 62 . . . 6955 1
678 . 1 1 82 82 ALA CB C 13 22.950 0.060 . 1 . . . . 62 . . . 6955 1
679 . 1 1 82 82 ALA HB1 H 1 0.386 0.030 . 1 . . . . 62 . . . 6955 1
680 . 1 1 82 82 ALA HB2 H 1 0.386 0.030 . 1 . . . . 62 . . . 6955 1
681 . 1 1 82 82 ALA HB3 H 1 0.386 0.030 . 1 . . . . 62 . . . 6955 1
682 . 1 1 82 82 ALA C C 13 175.351 0.060 . 1 . . . . 62 . . . 6955 1
683 . 1 1 83 83 THR N N 15 115.071 0.10 . 1 . . . . 63 . . . 6955 1
684 . 1 1 83 83 THR H H 1 7.988 0.030 . 1 . . . . 63 . . . 6955 1
685 . 1 1 83 83 THR CA C 13 61.987 0.060 . 1 . . . . 63 . . . 6955 1
686 . 1 1 83 83 THR HA H 1 4.413 0.030 . 1 . . . . 63 . . . 6955 1
687 . 1 1 83 83 THR CB C 13 72.857 0.060 . 1 . . . . 63 . . . 6955 1
688 . 1 1 83 83 THR HB H 1 3.771 0.030 . 1 . . . . 63 . . . 6955 1
689 . 1 1 83 83 THR CG2 C 13 23.204 0.060 . 1 . . . . 63 . . . 6955 1
690 . 1 1 83 83 THR HG21 H 1 0.982 0.030 . 1 . . . . 63 . . . 6955 1
691 . 1 1 83 83 THR HG22 H 1 0.982 0.030 . 1 . . . . 63 . . . 6955 1
692 . 1 1 83 83 THR HG23 H 1 0.982 0.030 . 1 . . . . 63 . . . 6955 1
693 . 1 1 83 83 THR C C 13 172.577 0.060 . 1 . . . . 63 . . . 6955 1
694 . 1 1 84 84 VAL N N 15 122.910 0.10 . 1 . . . . 64 . . . 6955 1
695 . 1 1 84 84 VAL H H 1 8.374 0.030 . 1 . . . . 64 . . . 6955 1
696 . 1 1 84 84 VAL CA C 13 60.779 0.060 . 1 . . . . 64 . . . 6955 1
697 . 1 1 84 84 VAL HA H 1 5.489 0.030 . 1 . . . . 64 . . . 6955 1
698 . 1 1 84 84 VAL CB C 13 33.538 0.060 . 1 . . . . 64 . . . 6955 1
699 . 1 1 84 84 VAL HB H 1 1.845 0.030 . 1 . . . . 64 . . . 6955 1
700 . 1 1 84 84 VAL CG2 C 13 20.804 0.060 . 1 . . . . 64 . . . 6955 1
701 . 1 1 84 84 VAL HG21 H 1 0.958 0.030 . 1 . . . . 64 . . . 6955 1
702 . 1 1 84 84 VAL HG22 H 1 0.958 0.030 . 1 . . . . 64 . . . 6955 1
703 . 1 1 84 84 VAL HG23 H 1 0.958 0.030 . 1 . . . . 64 . . . 6955 1
704 . 1 1 84 84 VAL CG1 C 13 22.333 0.060 . 1 . . . . 64 . . . 6955 1
705 . 1 1 84 84 VAL HG11 H 1 0.789 0.030 . 1 . . . . 64 . . . 6955 1
706 . 1 1 84 84 VAL HG12 H 1 0.789 0.030 . 1 . . . . 64 . . . 6955 1
707 . 1 1 84 84 VAL HG13 H 1 0.789 0.030 . 1 . . . . 64 . . . 6955 1
708 . 1 1 84 84 VAL C C 13 175.039 0.060 . 1 . . . . 64 . . . 6955 1
709 . 1 1 85 85 TYR N N 15 126.846 0.10 . 1 . . . . 65 . . . 6955 1
710 . 1 1 85 85 TYR H H 1 9.868 0.030 . 1 . . . . 65 . . . 6955 1
711 . 1 1 85 85 TYR CA C 13 56.254 0.060 . 1 . . . . 65 . . . 6955 1
712 . 1 1 85 85 TYR HA H 1 4.846 0.030 . 1 . . . . 65 . . . 6955 1
713 . 1 1 85 85 TYR CB C 13 41.778 0.060 . 1 . . . . 65 . . . 6955 1
714 . 1 1 85 85 TYR HB3 H 1 2.961 0.030 . 1 . . . . 65 . . . 6955 1
715 . 1 1 85 85 TYR C C 13 175.665 0.060 . 1 . . . . 65 . . . 6955 1
716 . 1 1 86 86 LYS N N 15 121.680 0.10 . 1 . . . . 66 . . . 6955 1
717 . 1 1 86 86 LYS H H 1 9.269 0.030 . 1 . . . . 66 . . . 6955 1
718 . 1 1 86 86 LYS CA C 13 56.457 0.060 . 1 . . . . 66 . . . 6955 1
719 . 1 1 86 86 LYS HA H 1 4.290 0.030 . 1 . . . . 66 . . . 6955 1
720 . 1 1 86 86 LYS CB C 13 35.770 0.060 . 1 . . . . 66 . . . 6955 1
721 . 1 1 86 86 LYS HB2 H 1 1.822 0.030 . 1 . . . . 66 . . . 6955 1
722 . 1 1 86 86 LYS HB3 H 1 1.900 0.030 . 1 . . . . 66 . . . 6955 1
723 . 1 1 86 86 LYS CG C 13 26.161 0.060 . 1 . . . . 66 . . . 6955 1
724 . 1 1 86 86 LYS HG2 H 1 0.352 0.030 . 1 . . . . 66 . . . 6955 1
725 . 1 1 86 86 LYS HG3 H 1 0.761 0.030 . 1 . . . . 66 . . . 6955 1
726 . 1 1 86 86 LYS HD2 H 1 1.816 0.030 . 1 . . . . 66 . . . 6955 1
727 . 1 1 86 86 LYS HD3 H 1 1.561 0.030 . 1 . . . . 66 . . . 6955 1
728 . 1 1 86 86 LYS CE C 13 42.204 0.060 . 1 . . . . 66 . . . 6955 1
729 . 1 1 86 86 LYS HE2 H 1 2.775 0.030 . 1 . . . . 66 . . . 6955 1
730 . 1 1 86 86 LYS HE3 H 1 2.860 0.030 . 1 . . . . 66 . . . 6955 1
731 . 1 1 86 86 LYS C C 13 175.988 0.060 . 1 . . . . 66 . . . 6955 1
732 . 1 1 87 87 ARG N N 15 126.704 0.10 . 1 . . . . 67 . . . 6955 1
733 . 1 1 87 87 ARG H H 1 9.055 0.030 . 1 . . . . 67 . . . 6955 1
734 . 1 1 87 87 ARG CA C 13 58.827 0.060 . 1 . . . . 67 . . . 6955 1
735 . 1 1 87 87 ARG HA H 1 3.822 0.030 . 1 . . . . 67 . . . 6955 1
736 . 1 1 87 87 ARG CB C 13 27.355 0.060 . 1 . . . . 67 . . . 6955 1
737 . 1 1 87 87 ARG HB2 H 1 1.993 0.030 . 1 . . . . 67 . . . 6955 1
738 . 1 1 87 87 ARG HB3 H 1 2.100 0.030 . 1 . . . . 67 . . . 6955 1
739 . 1 1 87 87 ARG CG C 13 29.351 0.060 . 1 . . . . 67 . . . 6955 1
740 . 1 1 87 87 ARG HG2 H 1 1.631 0.030 . 1 . . . . 67 . . . 6955 1
741 . 1 1 87 87 ARG HG3 H 1 1.544 0.030 . 1 . . . . 67 . . . 6955 1
742 . 1 1 87 87 ARG CD C 13 43.000 0.060 . 1 . . . . 67 . . . 6955 1
743 . 1 1 87 87 ARG HD2 H 1 3.276 0.030 . 1 . . . . 67 . . . 6955 1
744 . 1 1 87 87 ARG HD3 H 1 3.365 0.030 . 1 . . . . 67 . . . 6955 1
745 . 1 1 88 88 ASP N N 15 117.282 0.10 . 1 . . . . 68 . . . 6955 1
746 . 1 1 88 88 ASP H H 1 8.734 0.030 . 1 . . . . 68 . . . 6955 1
747 . 1 1 88 88 ASP CA C 13 54.457 0.060 . 1 . . . . 68 . . . 6955 1
748 . 1 1 88 88 ASP HA H 1 4.477 0.030 . 1 . . . . 68 . . . 6955 1
749 . 1 1 88 88 ASP CB C 13 40.353 0.060 . 1 . . . . 68 . . . 6955 1
750 . 1 1 88 88 ASP HB2 H 1 2.761 0.030 . 1 . . . . 68 . . . 6955 1
751 . 1 1 88 88 ASP HB3 H 1 2.955 0.030 . 1 . . . . 68 . . . 6955 1
752 . 1 1 88 88 ASP C C 13 175.324 0.060 . 1 . . . . 68 . . . 6955 1
753 . 1 1 89 89 ARG N N 15 120.739 0.10 . 1 . . . . 69 . . . 6955 1
754 . 1 1 89 89 ARG H H 1 7.995 0.030 . 1 . . . . 69 . . . 6955 1
755 . 1 1 89 89 ARG CA C 13 54.745 0.060 . 1 . . . . 69 . . . 6955 1
756 . 1 1 89 89 ARG HA H 1 4.709 0.030 . 1 . . . . 69 . . . 6955 1
757 . 1 1 89 89 ARG CB C 13 32.509 0.060 . 1 . . . . 69 . . . 6955 1
758 . 1 1 89 89 ARG HB2 H 1 1.981 0.030 . 1 . . . . 69 . . . 6955 1
759 . 1 1 89 89 ARG HB3 H 1 1.875 0.030 . 1 . . . . 69 . . . 6955 1
760 . 1 1 89 89 ARG CG C 13 27.099 0.060 . 1 . . . . 69 . . . 6955 1
761 . 1 1 89 89 ARG HG2 H 1 2.023 0.030 . 1 . . . . 69 . . . 6955 1
762 . 1 1 89 89 ARG HG3 H 1 1.604 0.030 . 1 . . . . 69 . . . 6955 1
763 . 1 1 89 89 ARG CD C 13 43.608 0.060 . 1 . . . . 69 . . . 6955 1
764 . 1 1 89 89 ARG HD2 H 1 3.235 0.030 . 1 . . . . 69 . . . 6955 1
765 . 1 1 89 89 ARG HD3 H 1 3.143 0.030 . 1 . . . . 69 . . . 6955 1
766 . 1 1 89 89 ARG C C 13 175.501 0.060 . 1 . . . . 69 . . . 6955 1
767 . 1 1 90 90 ILE N N 15 125.643 0.10 . 1 . . . . 70 . . . 6955 1
768 . 1 1 90 90 ILE H H 1 8.830 0.030 . 1 . . . . 70 . . . 6955 1
769 . 1 1 90 90 ILE CA C 13 63.766 0.060 . 1 . . . . 70 . . . 6955 1
770 . 1 1 90 90 ILE HA H 1 3.632 0.030 . 1 . . . . 70 . . . 6955 1
771 . 1 1 90 90 ILE CB C 13 38.010 0.060 . 1 . . . . 70 . . . 6955 1
772 . 1 1 90 90 ILE HB H 1 1.537 0.030 . 1 . . . . 70 . . . 6955 1
773 . 1 1 90 90 ILE CG1 C 13 29.516 0.060 . 1 . . . . 70 . . . 6955 1
774 . 1 1 90 90 ILE HG12 H 1 1.345 0.030 . 1 . . . . 70 . . . 6955 1
775 . 1 1 90 90 ILE HG13 H 1 0.137 0.030 . 1 . . . . 70 . . . 6955 1
776 . 1 1 90 90 ILE CD1 C 13 13.476 0.060 . 1 . . . . 70 . . . 6955 1
777 . 1 1 90 90 ILE HD11 H 1 0.599 0.030 . 1 . . . . 70 . . . 6955 1
778 . 1 1 90 90 ILE HD12 H 1 0.599 0.030 . 1 . . . . 70 . . . 6955 1
779 . 1 1 90 90 ILE HD13 H 1 0.599 0.030 . 1 . . . . 70 . . . 6955 1
780 . 1 1 90 90 ILE CG2 C 13 17.309 0.060 . 1 . . . . 70 . . . 6955 1
781 . 1 1 90 90 ILE HG21 H 1 0.579 0.030 . 1 . . . . 70 . . . 6955 1
782 . 1 1 90 90 ILE HG22 H 1 0.579 0.030 . 1 . . . . 70 . . . 6955 1
783 . 1 1 90 90 ILE HG23 H 1 0.579 0.030 . 1 . . . . 70 . . . 6955 1
784 . 1 1 90 90 ILE C C 13 177.019 0.060 . 1 . . . . 70 . . . 6955 1
785 . 1 1 91 91 VAL N N 15 120.920 0.10 . 1 . . . . 71 . . . 6955 1
786 . 1 1 91 91 VAL H H 1 8.881 0.030 . 1 . . . . 71 . . . 6955 1
787 . 1 1 91 91 VAL CA C 13 61.488 0.060 . 1 . . . . 71 . . . 6955 1
788 . 1 1 91 91 VAL HA H 1 4.630 0.030 . 1 . . . . 71 . . . 6955 1
789 . 1 1 91 91 VAL CB C 13 32.744 0.060 . 1 . . . . 71 . . . 6955 1
790 . 1 1 91 91 VAL HB H 1 2.427 0.030 . 1 . . . . 71 . . . 6955 1
791 . 1 1 91 91 VAL CG2 C 13 18.826 0.060 . 1 . . . . 71 . . . 6955 1
792 . 1 1 91 91 VAL HG21 H 1 0.406 0.030 . 1 . . . . 71 . . . 6955 1
793 . 1 1 91 91 VAL HG22 H 1 0.406 0.030 . 1 . . . . 71 . . . 6955 1
794 . 1 1 91 91 VAL HG23 H 1 0.406 0.030 . 1 . . . . 71 . . . 6955 1
795 . 1 1 91 91 VAL CG1 C 13 23.197 0.060 . 1 . . . . 71 . . . 6955 1
796 . 1 1 91 91 VAL HG11 H 1 0.957 0.030 . 1 . . . . 71 . . . 6955 1
797 . 1 1 91 91 VAL HG12 H 1 0.957 0.030 . 1 . . . . 71 . . . 6955 1
798 . 1 1 91 91 VAL HG13 H 1 0.957 0.030 . 1 . . . . 71 . . . 6955 1
799 . 1 1 91 91 VAL C C 13 175.768 0.060 . 1 . . . . 71 . . . 6955 1
800 . 1 1 92 92 LEU N N 15 121.905 0.10 . 1 . . . . 72 . . . 6955 1
801 . 1 1 92 92 LEU H H 1 7.384 0.030 . 1 . . . . 72 . . . 6955 1
802 . 1 1 92 92 LEU CA C 13 54.776 0.060 . 1 . . . . 72 . . . 6955 1
803 . 1 1 92 92 LEU HA H 1 4.887 0.030 . 1 . . . . 72 . . . 6955 1
804 . 1 1 92 92 LEU CB C 13 44.359 0.060 . 1 . . . . 72 . . . 6955 1
805 . 1 1 92 92 LEU HB2 H 1 1.559 0.030 . 1 . . . . 72 . . . 6955 1
806 . 1 1 92 92 LEU HB3 H 1 1.337 0.030 . 1 . . . . 72 . . . 6955 1
807 . 1 1 92 92 LEU HG H 1 0.872 0.030 . 1 . . . . 72 . . . 6955 1
808 . 1 1 92 92 LEU CD1 C 13 26.729 0.060 . 1 . . . . 72 . . . 6955 1
809 . 1 1 92 92 LEU HD11 H 1 0.862 0.030 . 1 . . . . 72 . . . 6955 1
810 . 1 1 92 92 LEU HD12 H 1 0.862 0.030 . 1 . . . . 72 . . . 6955 1
811 . 1 1 92 92 LEU HD13 H 1 0.862 0.030 . 1 . . . . 72 . . . 6955 1
812 . 1 1 92 92 LEU CD2 C 13 25.537 0.060 . 1 . . . . 72 . . . 6955 1
813 . 1 1 92 92 LEU HD21 H 1 0.912 0.030 . 1 . . . . 72 . . . 6955 1
814 . 1 1 92 92 LEU HD22 H 1 0.912 0.030 . 1 . . . . 72 . . . 6955 1
815 . 1 1 92 92 LEU HD23 H 1 0.912 0.030 . 1 . . . . 72 . . . 6955 1
816 . 1 1 92 92 LEU C C 13 174.010 0.060 . 1 . . . . 72 . . . 6955 1
817 . 1 1 93 93 ASN N N 15 122.698 0.10 . 1 . . . . 73 . . . 6955 1
818 . 1 1 93 93 ASN H H 1 10.241 0.030 . 1 . . . . 73 . . . 6955 1
819 . 1 1 93 93 ASN CA C 13 51.568 0.060 . 1 . . . . 73 . . . 6955 1
820 . 1 1 93 93 ASN HA H 1 4.944 0.030 . 1 . . . . 73 . . . 6955 1
821 . 1 1 93 93 ASN CB C 13 43.481 0.060 . 1 . . . . 73 . . . 6955 1
822 . 1 1 93 93 ASN HB2 H 1 2.679 0.030 . 1 . . . . 73 . . . 6955 1
823 . 1 1 93 93 ASN HB3 H 1 2.816 0.030 . 1 . . . . 73 . . . 6955 1
824 . 1 1 93 93 ASN C C 13 175.122 0.060 . 1 . . . . 73 . . . 6955 1
825 . 1 1 94 94 ASN N N 15 117.865 0.10 . 1 . . . . 74 . . . 6955 1
826 . 1 1 94 94 ASN H H 1 9.179 0.030 . 1 . . . . 74 . . . 6955 1
827 . 1 1 94 94 ASN CA C 13 53.834 0.060 . 1 . . . . 74 . . . 6955 1
828 . 1 1 94 94 ASN HA H 1 4.429 0.030 . 1 . . . . 74 . . . 6955 1
829 . 1 1 94 94 ASN CB C 13 36.871 0.060 . 1 . . . . 74 . . . 6955 1
830 . 1 1 94 94 ASN HB2 H 1 2.755 0.030 . 1 . . . . 74 . . . 6955 1
831 . 1 1 94 94 ASN HB3 H 1 2.970 0.030 . 1 . . . . 74 . . . 6955 1
832 . 1 1 94 94 ASN C C 13 174.974 0.060 . 1 . . . . 74 . . . 6955 1
833 . 1 1 95 95 CYS N N 15 114.508 0.10 . 1 . . . . 75 . . . 6955 1
834 . 1 1 95 95 CYS H H 1 7.742 0.030 . 1 . . . . 75 . . . 6955 1
835 . 1 1 95 95 CYS CA C 13 56.774 0.060 . 1 . . . . 75 . . . 6955 1
836 . 1 1 95 95 CYS HA H 1 5.319 0.030 . 1 . . . . 75 . . . 6955 1
837 . 1 1 95 95 CYS CB C 13 42.663 0.060 . 1 . . . . 75 . . . 6955 1
838 . 1 1 95 95 CYS HB2 H 1 2.806 0.030 . 1 . . . . 75 . . . 6955 1
839 . 1 1 95 95 CYS HB3 H 1 3.002 0.030 . 1 . . . . 75 . . . 6955 1
840 . 1 1 95 95 CYS C C 13 174.968 0.060 . 1 . . . . 75 . . . 6955 1
841 . 1 1 96 96 GLN N N 15 124.156 0.10 . 1 . . . . 76 . . . 6955 1
842 . 1 1 96 96 GLN H H 1 8.782 0.030 . 1 . . . . 76 . . . 6955 1
843 . 1 1 96 96 GLN CA C 13 54.282 0.060 . 1 . . . . 76 . . . 6955 1
844 . 1 1 96 96 GLN HA H 1 5.146 0.030 . 1 . . . . 76 . . . 6955 1
845 . 1 1 96 96 GLN CB C 13 30.870 0.060 . 1 . . . . 76 . . . 6955 1
846 . 1 1 96 96 GLN HB2 H 1 2.043 0.030 . 1 . . . . 76 . . . 6955 1
847 . 1 1 96 96 GLN HB3 H 1 2.181 0.030 . 1 . . . . 76 . . . 6955 1
848 . 1 1 96 96 GLN CG C 13 33.355 0.060 . 1 . . . . 76 . . . 6955 1
849 . 1 1 96 96 GLN HG2 H 1 2.324 0.030 . 1 . . . . 76 . . . 6955 1
850 . 1 1 96 96 GLN HG3 H 1 2.480 0.030 . 1 . . . . 76 . . . 6955 1
851 . 1 1 96 96 GLN C C 13 176.972 0.060 . 1 . . . . 76 . . . 6955 1
852 . 1 1 97 97 LEU N N 15 131.512 0.10 . 1 . . . . 77 . . . 6955 1
853 . 1 1 97 97 LEU H H 1 9.199 0.030 . 1 . . . . 77 . . . 6955 1
854 . 1 1 97 97 LEU CA C 13 55.995 0.060 . 1 . . . . 77 . . . 6955 1
855 . 1 1 97 97 LEU HA H 1 3.786 0.030 . 1 . . . . 77 . . . 6955 1
856 . 1 1 97 97 LEU CB C 13 42.796 0.060 . 1 . . . . 77 . . . 6955 1
857 . 1 1 97 97 LEU HB2 H 1 1.282 0.030 . 1 . . . . 77 . . . 6955 1
858 . 1 1 97 97 LEU HB3 H 1 1.665 0.030 . 1 . . . . 77 . . . 6955 1
859 . 1 1 97 97 LEU HG H 1 1.280 0.030 . 1 . . . . 77 . . . 6955 1
860 . 1 1 97 97 LEU CD1 C 13 25.879 0.060 . 1 . . . . 77 . . . 6955 1
861 . 1 1 97 97 LEU HD11 H 1 0.718 0.030 . 1 . . . . 77 . . . 6955 1
862 . 1 1 97 97 LEU HD12 H 1 0.718 0.030 . 1 . . . . 77 . . . 6955 1
863 . 1 1 97 97 LEU HD13 H 1 0.718 0.030 . 1 . . . . 77 . . . 6955 1
864 . 1 1 97 97 LEU CD2 C 13 23.614 0.060 . 1 . . . . 77 . . . 6955 1
865 . 1 1 97 97 LEU HD21 H 1 0.456 0.030 . 1 . . . . 77 . . . 6955 1
866 . 1 1 97 97 LEU HD22 H 1 0.456 0.030 . 1 . . . . 77 . . . 6955 1
867 . 1 1 97 97 LEU HD23 H 1 0.456 0.030 . 1 . . . . 77 . . . 6955 1
868 . 1 1 97 97 LEU C C 13 176.582 0.060 . 1 . . . . 77 . . . 6955 1
869 . 1 1 98 98 GLN N N 15 124.930 0.10 . 1 . . . . 78 . . . 6955 1
870 . 1 1 98 98 GLN H H 1 9.280 0.030 . 1 . . . . 78 . . . 6955 1
871 . 1 1 98 98 GLN CA C 13 54.593 0.060 . 1 . . . . 78 . . . 6955 1
872 . 1 1 98 98 GLN HA H 1 4.374 0.030 . 1 . . . . 78 . . . 6955 1
873 . 1 1 98 98 GLN CB C 13 30.127 0.060 . 1 . . . . 78 . . . 6955 1
874 . 1 1 98 98 GLN HB2 H 1 1.952 0.030 . 1 . . . . 78 . . . 6955 1
875 . 1 1 98 98 GLN HB3 H 1 1.881 0.030 . 1 . . . . 78 . . . 6955 1
876 . 1 1 98 98 GLN CG C 13 31.301 0.060 . 1 . . . . 78 . . . 6955 1
877 . 1 1 98 98 GLN HG2 H 1 2.310 0.030 . 1 . . . . 78 . . . 6955 1
878 . 1 1 98 98 GLN HG3 H 1 2.234 0.030 . 1 . . . . 78 . . . 6955 1
879 . 1 1 99 99 ASN N N 15 119.330 0.10 . 1 . . . . 79 . . . 6955 1
880 . 1 1 99 99 ASN H H 1 8.495 0.030 . 1 . . . . 79 . . . 6955 1
881 . 1 1 99 99 ASN CA C 13 53.710 0.060 . 1 . . . . 79 . . . 6955 1
882 . 1 1 99 99 ASN HA H 1 4.976 0.030 . 1 . . . . 79 . . . 6955 1
883 . 1 1 99 99 ASN CB C 13 43.970 0.060 . 1 . . . . 79 . . . 6955 1
884 . 1 1 99 99 ASN HB2 H 1 2.718 0.030 . 1 . . . . 79 . . . 6955 1
885 . 1 1 100 100 PRO CA C 13 63.577 0.060 . 1 . . . . 80 . . . 6955 1
886 . 1 1 100 100 PRO HA H 1 4.408 0.030 . 1 . . . . 80 . . . 6955 1
887 . 1 1 100 100 PRO CB C 13 32.316 0.060 . 1 . . . . 80 . . . 6955 1
888 . 1 1 100 100 PRO HB2 H 1 2.204 0.030 . 1 . . . . 80 . . . 6955 1
889 . 1 1 100 100 PRO HB3 H 1 1.929 0.030 . 1 . . . . 80 . . . 6955 1
890 . 1 1 100 100 PRO CG C 13 27.446 0.060 . 1 . . . . 80 . . . 6955 1
891 . 1 1 100 100 PRO HG2 H 1 1.928 0.030 . 1 . . . . 80 . . . 6955 1
892 . 1 1 100 100 PRO HG3 H 1 2.094 0.030 . 1 . . . . 80 . . . 6955 1
893 . 1 1 100 100 PRO CD C 13 50.830 0.060 . 1 . . . . 80 . . . 6955 1
894 . 1 1 100 100 PRO HD2 H 1 3.649 0.030 . 1 . . . . 80 . . . 6955 1
895 . 1 1 100 100 PRO HD3 H 1 3.568 0.030 . 1 . . . . 80 . . . 6955 1
896 . 1 1 100 100 PRO C C 13 176.853 0.060 . 1 . . . . 80 . . . 6955 1
897 . 1 1 101 101 GLN N N 15 120.699 0.10 . 1 . . . . 81 . . . 6955 1
898 . 1 1 101 101 GLN H H 1 8.502 0.030 . 1 . . . . 81 . . . 6955 1
899 . 1 1 101 101 GLN CA C 13 55.851 0.060 . 1 . . . . 81 . . . 6955 1
900 . 1 1 101 101 GLN HA H 1 4.328 0.030 . 1 . . . . 81 . . . 6955 1
901 . 1 1 101 101 GLN CB C 13 29.510 0.060 . 1 . . . . 81 . . . 6955 1
902 . 1 1 101 101 GLN HB2 H 1 2.132 0.030 . 1 . . . . 81 . . . 6955 1
903 . 1 1 101 101 GLN HB3 H 1 1.998 0.030 . 1 . . . . 81 . . . 6955 1
904 . 1 1 101 101 GLN CG C 13 33.928 0.060 . 1 . . . . 81 . . . 6955 1
905 . 1 1 101 101 GLN HG2 H 1 2.357 0.030 . 1 . . . . 81 . . . 6955 1
906 . 1 1 101 101 GLN HG3 H 1 2.404 0.030 . 1 . . . . 81 . . . 6955 1
907 . 1 1 101 101 GLN C C 13 175.073 0.060 . 1 . . . . 81 . . . 6955 1
908 . 1 1 102 102 ARG N N 15 127.774 0.10 . 1 . . . . 82 . . . 6955 1
909 . 1 1 102 102 ARG H H 1 7.945 0.030 . 1 . . . . 82 . . . 6955 1
910 . 1 1 102 102 ARG CA C 13 57.386 0.060 . 1 . . . . 82 . . . 6955 1
911 . 1 1 102 102 ARG HA H 1 4.184 0.030 . 1 . . . . 82 . . . 6955 1
912 . 1 1 102 102 ARG CB C 13 31.532 0.060 . 1 . . . . 82 . . . 6955 1
913 . 1 1 102 102 ARG HB2 H 1 1.745 0.030 . 1 . . . . 82 . . . 6955 1
914 . 1 1 102 102 ARG HB3 H 1 1.861 0.030 . 1 . . . . 82 . . . 6955 1
915 . 1 1 102 102 ARG CG C 13 28.377 0.060 . 1 . . . . 82 . . . 6955 1
916 . 1 1 102 102 ARG HG2 H 1 1.554 0.030 . 1 . . . . 82 . . . 6955 1
917 . 1 1 102 102 ARG HG3 H 1 1.650 0.030 . 1 . . . . 82 . . . 6955 1
918 . 1 1 102 102 ARG CD C 13 42.002 0.060 . 1 . . . . 82 . . . 6955 1
919 . 1 1 102 102 ARG HD2 H 1 3.110 0.030 . 1 . . . . 82 . . . 6955 1
920 . 1 1 102 102 ARG HD3 H 1 3.200 0.030 . 1 . . . . 82 . . . 6955 1
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