data_25002
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 25002
_Entry.Title
;
Solution structure of the LysM region of the E. coli Intimin periplasmic domain
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2014-06-05
_Entry.Accession_date 2014-06-05
_Entry.Last_release_date 2014-11-10
_Entry.Original_release_date 2014-11-10
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Murray Coles . . . 25002
2 Manish Chaubey . . . 25002
3 Jack Leo . C. . 25002
4 Dirk Linke . . . 25002
5 Monika Schuetz . C. . 25002
6 Friedrich Goetz . . . 25002
7 Ingo Autenrieth . B. . 25002
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'not applicable' 'not applicable' . 25002
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
LysM . 25002
peptidoglycan-binding . 25002
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 25002
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 550 25002
'13C chemical shifts' 315 25002
'15N chemical shifts' 82 25002
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 . . 2014-11-10 2014-06-05 original author . 25002
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2mpw 'BMRB Entry Tracking System' 25002
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 25002
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 25353290
_Citation.Full_citation .
_Citation.Title 'The intimin periplasmic domain mediates dimerisation and binding to peptidoglycan'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Mol. Microbiol.'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year 2014
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Jack Leo . C. . 25002 1
2 Philipp Oberhettinger . . . 25002 1
3 Manish Chaubey . . . 25002 1
4 Monika Schuetz . . . 25002 1
5 Daniel Kuehner . . . 25002 1
6 Friedrich Goetz . . . 25002 1
7 Murray Coles . . . 25002 1
8 Ingo Autenrieth . B. . 25002 1
9 Dirk Linke . . . 25002 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 25002
_Assembly.ID 1
_Assembly.Name 'LysM region of the E. coli Intimin periplasmic domain'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 LysM 1 $LysM A . yes native no no . . . 25002 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_LysM
_Entity.Sf_category entity
_Entity.Sf_framecode LysM
_Entity.Entry_ID 25002
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name LysM
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MNGENYFKLGSDSKLLTHNS
YQNRLFYTLKTGETVADLSK
SQDINLSTIWSLNKHLYSSE
SEMMKAAPGQQIILPLKKLP
FEYSALPLLGSAPLVAAGGV
AGHTNGSGSENLYFQ
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details 'A39 is mutated to M for cloning purposes'
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 115
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment 39-153
_Entity.Mutation A39M
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 12568.278
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 yes GB BAL46976 . Intimin . . . . . . . . . . . . . . 25002 1
2 no PDB 2MPW . "Solution Structure Of The Lysm Region Of The E. Coli Intimin Periplasmic Domain" . . . . . 100.00 115 100.00 100.00 2.04e-76 . . . . 25002 1
3 no DBJ BAB37982 . "Gamma intimin [Escherichia coli O157:H7 str. Sakai]" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 1
4 no DBJ BAD20939 . "intimin [Escherichia coli O157:H45]" . . . . . 90.43 144 100.00 100.00 3.29e-68 . . . . 25002 1
5 no DBJ BAD20940 . "intimin [Escherichia coli O55:H51]" . . . . . 90.43 144 100.00 100.00 2.47e-68 . . . . 25002 1
6 no DBJ BAD20941 . "intimin, partial [Escherichia coli OUT:H45]" . . . . . 90.43 144 100.00 100.00 2.47e-68 . . . . 25002 1
7 no DBJ BAD20942 . "intimin, partial [Escherichia coli]" . . . . . 90.43 144 100.00 100.00 2.47e-68 . . . . 25002 1
8 no EMBL CAA42967 . "ECOEHECAE [Escherichia coli]" . . . . . 90.43 935 99.04 100.00 6.55e-62 . . . . 25002 1
9 no EMBL CAA77642 . "EHEC attaching and effacing (Eae) protein [Escherichia coli]" . . . . . 90.43 934 99.04 100.00 6.85e-62 . . . . 25002 1
10 no EMBL CAC21552 . "intimin zeta [Escherichia coli]" . . . . . 89.57 938 99.03 99.03 4.01e-61 . . . . 25002 1
11 no EMBL CAC24714 . "intimin zeta [Escherichia coli]" . . . . . 89.57 938 99.03 99.03 4.01e-61 . . . . 25002 1
12 no EMBL CAC59747 . "intimin-jota [Escherichia coli]" . . . . . 90.43 937 100.00 100.00 1.89e-62 . . . . 25002 1
13 no GB AAA62775 . "eae [Escherichia coli]" . . . . . 90.43 939 99.04 99.04 1.16e-61 . . . . 25002 1
14 no GB AAB52913 . "intimin [Escherichia coli]" . . . . . 90.43 940 99.04 99.04 1.08e-61 . . . . 25002 1
15 no GB AAC31504 . "L0025 [Escherichia coli O157:H7 str. EDL933]" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 1
16 no GB AAC38392 . "intimin [Escherichia coli]" . . . . . 90.43 939 99.04 99.04 1.16e-61 . . . . 25002 1
17 no GB AAD05498 . "gamma intimin [Escherichia coli]" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 1
18 no PRF 1905283A . "eae gene" . . . . . 90.43 935 99.04 100.00 6.55e-62 . . . . 25002 1
19 no REF NP_312586 . "gamma intimin [Escherichia coli O157:H7 str. Sakai]" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 1
20 no REF WP_000430959 . "hypothetical protein, partial [Escherichia coli]" . . . . . 89.57 894 99.03 100.00 3.16e-61 . . . . 25002 1
21 no REF WP_000627883 . "hypothetical protein [Escherichia coli]" . . . . . 90.43 934 99.04 100.00 7.64e-62 . . . . 25002 1
22 no REF WP_000627884 . "hypothetical protein [Escherichia coli]" . . . . . 90.43 934 99.04 100.00 7.20e-62 . . . . 25002 1
23 no REF WP_000627885 . "intimin [Escherichia coli]" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 1
24 no SP P19809 . "RecName: Full=Intimin; AltName: Full=Attaching and effacing protein; Short=Eae protein" . . . . . 90.43 939 100.00 100.00 2.20e-62 . . . . 25002 1
25 no SP P43261 . "RecName: Full=Intimin; AltName: Full=Attaching and effacing protein; Short=Eae protein; AltName: Full=Gamma-intimin" . . . . . 90.43 934 99.04 100.00 7.12e-62 . . . . 25002 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 39 MET . 25002 1
2 40 ASN . 25002 1
3 41 GLY . 25002 1
4 42 GLU . 25002 1
5 43 ASN . 25002 1
6 44 TYR . 25002 1
7 45 PHE . 25002 1
8 46 LYS . 25002 1
9 47 LEU . 25002 1
10 48 GLY . 25002 1
11 49 SER . 25002 1
12 50 ASP . 25002 1
13 51 SER . 25002 1
14 52 LYS . 25002 1
15 53 LEU . 25002 1
16 54 LEU . 25002 1
17 55 THR . 25002 1
18 56 HIS . 25002 1
19 57 ASN . 25002 1
20 58 SER . 25002 1
21 59 TYR . 25002 1
22 60 GLN . 25002 1
23 61 ASN . 25002 1
24 62 ARG . 25002 1
25 63 LEU . 25002 1
26 64 PHE . 25002 1
27 65 TYR . 25002 1
28 66 THR . 25002 1
29 67 LEU . 25002 1
30 68 LYS . 25002 1
31 69 THR . 25002 1
32 70 GLY . 25002 1
33 71 GLU . 25002 1
34 72 THR . 25002 1
35 73 VAL . 25002 1
36 74 ALA . 25002 1
37 75 ASP . 25002 1
38 76 LEU . 25002 1
39 77 SER . 25002 1
40 78 LYS . 25002 1
41 79 SER . 25002 1
42 80 GLN . 25002 1
43 81 ASP . 25002 1
44 82 ILE . 25002 1
45 83 ASN . 25002 1
46 84 LEU . 25002 1
47 85 SER . 25002 1
48 86 THR . 25002 1
49 87 ILE . 25002 1
50 88 TRP . 25002 1
51 89 SER . 25002 1
52 90 LEU . 25002 1
53 91 ASN . 25002 1
54 92 LYS . 25002 1
55 93 HIS . 25002 1
56 94 LEU . 25002 1
57 95 TYR . 25002 1
58 96 SER . 25002 1
59 97 SER . 25002 1
60 98 GLU . 25002 1
61 99 SER . 25002 1
62 100 GLU . 25002 1
63 101 MET . 25002 1
64 102 MET . 25002 1
65 103 LYS . 25002 1
66 104 ALA . 25002 1
67 105 ALA . 25002 1
68 106 PRO . 25002 1
69 107 GLY . 25002 1
70 108 GLN . 25002 1
71 109 GLN . 25002 1
72 110 ILE . 25002 1
73 111 ILE . 25002 1
74 112 LEU . 25002 1
75 113 PRO . 25002 1
76 114 LEU . 25002 1
77 115 LYS . 25002 1
78 116 LYS . 25002 1
79 117 LEU . 25002 1
80 118 PRO . 25002 1
81 119 PHE . 25002 1
82 120 GLU . 25002 1
83 121 TYR . 25002 1
84 122 SER . 25002 1
85 123 ALA . 25002 1
86 124 LEU . 25002 1
87 125 PRO . 25002 1
88 126 LEU . 25002 1
89 127 LEU . 25002 1
90 128 GLY . 25002 1
91 129 SER . 25002 1
92 130 ALA . 25002 1
93 131 PRO . 25002 1
94 132 LEU . 25002 1
95 133 VAL . 25002 1
96 134 ALA . 25002 1
97 135 ALA . 25002 1
98 136 GLY . 25002 1
99 137 GLY . 25002 1
100 138 VAL . 25002 1
101 139 ALA . 25002 1
102 140 GLY . 25002 1
103 141 HIS . 25002 1
104 142 THR . 25002 1
105 143 ASN . 25002 1
106 144 GLY . 25002 1
107 145 SER . 25002 1
108 146 GLY . 25002 1
109 147 SER . 25002 1
110 148 GLU . 25002 1
111 149 ASN . 25002 1
112 150 LEU . 25002 1
113 151 TYR . 25002 1
114 152 PHE . 25002 1
115 153 GLN . 25002 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 25002 1
. ASN 2 2 25002 1
. GLY 3 3 25002 1
. GLU 4 4 25002 1
. ASN 5 5 25002 1
. TYR 6 6 25002 1
. PHE 7 7 25002 1
. LYS 8 8 25002 1
. LEU 9 9 25002 1
. GLY 10 10 25002 1
. SER 11 11 25002 1
. ASP 12 12 25002 1
. SER 13 13 25002 1
. LYS 14 14 25002 1
. LEU 15 15 25002 1
. LEU 16 16 25002 1
. THR 17 17 25002 1
. HIS 18 18 25002 1
. ASN 19 19 25002 1
. SER 20 20 25002 1
. TYR 21 21 25002 1
. GLN 22 22 25002 1
. ASN 23 23 25002 1
. ARG 24 24 25002 1
. LEU 25 25 25002 1
. PHE 26 26 25002 1
. TYR 27 27 25002 1
. THR 28 28 25002 1
. LEU 29 29 25002 1
. LYS 30 30 25002 1
. THR 31 31 25002 1
. GLY 32 32 25002 1
. GLU 33 33 25002 1
. THR 34 34 25002 1
. VAL 35 35 25002 1
. ALA 36 36 25002 1
. ASP 37 37 25002 1
. LEU 38 38 25002 1
. SER 39 39 25002 1
. LYS 40 40 25002 1
. SER 41 41 25002 1
. GLN 42 42 25002 1
. ASP 43 43 25002 1
. ILE 44 44 25002 1
. ASN 45 45 25002 1
. LEU 46 46 25002 1
. SER 47 47 25002 1
. THR 48 48 25002 1
. ILE 49 49 25002 1
. TRP 50 50 25002 1
. SER 51 51 25002 1
. LEU 52 52 25002 1
. ASN 53 53 25002 1
. LYS 54 54 25002 1
. HIS 55 55 25002 1
. LEU 56 56 25002 1
. TYR 57 57 25002 1
. SER 58 58 25002 1
. SER 59 59 25002 1
. GLU 60 60 25002 1
. SER 61 61 25002 1
. GLU 62 62 25002 1
. MET 63 63 25002 1
. MET 64 64 25002 1
. LYS 65 65 25002 1
. ALA 66 66 25002 1
. ALA 67 67 25002 1
. PRO 68 68 25002 1
. GLY 69 69 25002 1
. GLN 70 70 25002 1
. GLN 71 71 25002 1
. ILE 72 72 25002 1
. ILE 73 73 25002 1
. LEU 74 74 25002 1
. PRO 75 75 25002 1
. LEU 76 76 25002 1
. LYS 77 77 25002 1
. LYS 78 78 25002 1
. LEU 79 79 25002 1
. PRO 80 80 25002 1
. PHE 81 81 25002 1
. GLU 82 82 25002 1
. TYR 83 83 25002 1
. SER 84 84 25002 1
. ALA 85 85 25002 1
. LEU 86 86 25002 1
. PRO 87 87 25002 1
. LEU 88 88 25002 1
. LEU 89 89 25002 1
. GLY 90 90 25002 1
. SER 91 91 25002 1
. ALA 92 92 25002 1
. PRO 93 93 25002 1
. LEU 94 94 25002 1
. VAL 95 95 25002 1
. ALA 96 96 25002 1
. ALA 97 97 25002 1
. GLY 98 98 25002 1
. GLY 99 99 25002 1
. VAL 100 100 25002 1
. ALA 101 101 25002 1
. GLY 102 102 25002 1
. HIS 103 103 25002 1
. THR 104 104 25002 1
. ASN 105 105 25002 1
. GLY 106 106 25002 1
. SER 107 107 25002 1
. GLY 108 108 25002 1
. SER 109 109 25002 1
. GLU 110 110 25002 1
. ASN 111 111 25002 1
. LEU 112 112 25002 1
. TYR 113 113 25002 1
. PHE 114 114 25002 1
. GLN 115 115 25002 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 25002
_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 $LysM . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 25002 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 25002
_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 $LysM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pASK-IBA . . . . . . 25002 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 25002
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 LysM '[U-100% 15N]' . . 1 $LysM . . 0.5 . . mM . . . . 25002 1
2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25002 1
3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25002 1
4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25002 1
5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25002 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 25002
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 LysM '[U-100% 13C; U-100% 15N]' . . 1 $LysM . . 0.5 . . mM . . . . 25002 2
2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25002 2
3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25002 2
4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25002 2
5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25002 2
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 25002
_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
temperature 298 . K 25002 1
pH 7.4 . pH 25002 1
pressure 1 . atm 25002 1
'ionic strength' 250 . mM 25002 1
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 25002
_Software.ID 1
_Software.Name TOPSPIN
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 25002 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 25002 1
processing 25002 1
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 25002
_Software.ID 2
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 25002 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 25002 2
'data analysis' 25002 2
stop_
save_
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 25002
_Software.ID 3
_Software.Name X-PLOR_NIH
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 25002 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 25002 3
refinement 25002 3
stop_
save_
save_NMR-SPIRIT
_Software.Sf_category software
_Software.Sf_framecode NMR-SPIRIT
_Software.Entry_ID 25002
_Software.ID 4
_Software.Name NMR-SPIRIT
_Software.Version 1.1
_Software.Details 'NOESY back-calculation suite'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'In house' . . 25002 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 25002 4
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 25002
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 25002
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 25002
_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 Bruker Avance . 600 . . . 25002 1
2 spectrometer_2 Bruker Avance . 800 . . . 25002 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 25002
_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 HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1
2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1
3 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1
4 '3D HNCANNH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1
5 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1
6 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25002 1
7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 1
8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 1
9 '3D CNH-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 1
10 '3D NNH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 1
11 '3D CCH-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 1
12 '2D 12C-filtered 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25002 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 25002
_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
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25002 1
C 13 DSS 'methyl protons' . . . . ppm 2.6 . indirect 0.251449530 . . . . . . . . . 25002 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 25002 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25002
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D HNCO' 2 $sample_2 . 25002 1
2 '3D HNCA' 2 $sample_2 . 25002 1
3 '3D C(CO)NH' 2 $sample_2 . 25002 1
4 '3D HNCANNH' 2 $sample_2 . 25002 1
5 '3D HCCH-TOCSY' 2 $sample_2 . 25002 1
6 '3D H(CCO)NH' 2 $sample_2 . 25002 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $SPARKY . . 25002 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 23 23 ASN HA H 1 4.67 0.02 . 1 . . . A 61 ASN HA . 25002 1
2 . 1 1 23 23 ASN HB2 H 1 2.74 0.02 . 1 . . . A 61 ASN HB2 . 25002 1
3 . 1 1 23 23 ASN HB3 H 1 2.74 0.02 . 1 . . . A 61 ASN HB3 . 25002 1
4 . 1 1 23 23 ASN C C 13 174.43 0.05 . 1 . . . A 61 ASN C . 25002 1
5 . 1 1 23 23 ASN CA C 13 53.16 0.05 . 1 . . . A 61 ASN CA . 25002 1
6 . 1 1 23 23 ASN CB C 13 38.57 0.05 . 1 . . . A 61 ASN CB . 25002 1
7 . 1 1 24 24 ARG H H 1 7.92 0.02 . 1 . . . A 62 ARG H . 25002 1
8 . 1 1 24 24 ARG HA H 1 4.71 0.02 . 1 . . . A 62 ARG HA . 25002 1
9 . 1 1 24 24 ARG HB2 H 1 1.51 0.02 . 1 . . . A 62 ARG HB2 . 25002 1
10 . 1 1 24 24 ARG HB3 H 1 1.51 0.02 . 1 . . . A 62 ARG HB3 . 25002 1
11 . 1 1 24 24 ARG HG2 H 1 1.41 0.02 . 1 . . . A 62 ARG HG2 . 25002 1
12 . 1 1 24 24 ARG HG3 H 1 1.41 0.02 . 1 . . . A 62 ARG HG3 . 25002 1
13 . 1 1 24 24 ARG HD2 H 1 2.96 0.02 . 1 . . . A 62 ARG HD2 . 25002 1
14 . 1 1 24 24 ARG HD3 H 1 2.96 0.02 . 1 . . . A 62 ARG HD3 . 25002 1
15 . 1 1 24 24 ARG C C 13 173.61 0.05 . 1 . . . A 62 ARG C . 25002 1
16 . 1 1 24 24 ARG CA C 13 54.79 0.05 . 1 . . . A 62 ARG CA . 25002 1
17 . 1 1 24 24 ARG CB C 13 32.93 0.05 . 1 . . . A 62 ARG CB . 25002 1
18 . 1 1 24 24 ARG CG C 13 26.52 0.05 . 1 . . . A 62 ARG CG . 25002 1
19 . 1 1 24 24 ARG CD C 13 43.35 0.05 . 1 . . . A 62 ARG CD . 25002 1
20 . 1 1 24 24 ARG N N 15 119.53 0.05 . 1 . . . A 62 ARG N . 25002 1
21 . 1 1 25 25 LEU H H 1 8.79 0.02 . 1 . . . A 63 LEU H . 25002 1
22 . 1 1 25 25 LEU HA H 1 4.55 0.02 . 1 . . . A 63 LEU HA . 25002 1
23 . 1 1 25 25 LEU HB2 H 1 1.59 0.02 . 2 . . . A 63 LEU HB2 . 25002 1
24 . 1 1 25 25 LEU HB3 H 1 1.42 0.02 . 2 . . . A 63 LEU HB3 . 25002 1
25 . 1 1 25 25 LEU HG H 1 1.44 0.02 . 1 . . . A 63 LEU HG . 25002 1
26 . 1 1 25 25 LEU HD11 H 1 0.90 0.02 . 2 . . . A 63 LEU HD11 . 25002 1
27 . 1 1 25 25 LEU HD12 H 1 0.90 0.02 . 2 . . . A 63 LEU HD12 . 25002 1
28 . 1 1 25 25 LEU HD13 H 1 0.90 0.02 . 2 . . . A 63 LEU HD13 . 25002 1
29 . 1 1 25 25 LEU HD21 H 1 0.82 0.02 . 2 . . . A 63 LEU HD21 . 25002 1
30 . 1 1 25 25 LEU HD22 H 1 0.82 0.02 . 2 . . . A 63 LEU HD22 . 25002 1
31 . 1 1 25 25 LEU HD23 H 1 0.82 0.02 . 2 . . . A 63 LEU HD23 . 25002 1
32 . 1 1 25 25 LEU C C 13 174.75 0.05 . 1 . . . A 63 LEU C . 25002 1
33 . 1 1 25 25 LEU CA C 13 53.69 0.05 . 1 . . . A 63 LEU CA . 25002 1
34 . 1 1 25 25 LEU CB C 13 44.52 0.05 . 1 . . . A 63 LEU CB . 25002 1
35 . 1 1 25 25 LEU CG C 13 27.21 0.05 . 1 . . . A 63 LEU CG . 25002 1
36 . 1 1 25 25 LEU CD1 C 13 24.47 0.05 . 2 . . . A 63 LEU CD1 . 25002 1
37 . 1 1 25 25 LEU CD2 C 13 25.54 0.05 . 2 . . . A 63 LEU CD2 . 25002 1
38 . 1 1 25 25 LEU N N 15 122.62 0.05 . 1 . . . A 63 LEU N . 25002 1
39 . 1 1 26 26 PHE H H 1 8.62 0.02 . 1 . . . A 64 PHE H . 25002 1
40 . 1 1 26 26 PHE HA H 1 4.57 0.02 . 1 . . . A 64 PHE HA . 25002 1
41 . 1 1 26 26 PHE HB2 H 1 2.95 0.02 . 2 . . . A 64 PHE HB2 . 25002 1
42 . 1 1 26 26 PHE HB3 H 1 2.75 0.02 . 2 . . . A 64 PHE HB3 . 25002 1
43 . 1 1 26 26 PHE HD1 H 1 7.07 0.02 . 1 . . . A 64 PHE HD1 . 25002 1
44 . 1 1 26 26 PHE HD2 H 1 7.07 0.02 . 1 . . . A 64 PHE HD2 . 25002 1
45 . 1 1 26 26 PHE C C 13 174.06 0.05 . 1 . . . A 64 PHE C . 25002 1
46 . 1 1 26 26 PHE CA C 13 57.33 0.05 . 1 . . . A 64 PHE CA . 25002 1
47 . 1 1 26 26 PHE CB C 13 38.77 0.05 . 1 . . . A 64 PHE CB . 25002 1
48 . 1 1 26 26 PHE N N 15 123.36 0.05 . 1 . . . A 64 PHE N . 25002 1
49 . 1 1 27 27 TYR H H 1 9.16 0.02 . 1 . . . A 65 TYR H . 25002 1
50 . 1 1 27 27 TYR HA H 1 4.50 0.02 . 1 . . . A 65 TYR HA . 25002 1
51 . 1 1 27 27 TYR HB2 H 1 3.02 0.02 . 2 . . . A 65 TYR HB2 . 25002 1
52 . 1 1 27 27 TYR HB3 H 1 2.59 0.02 . 2 . . . A 65 TYR HB3 . 25002 1
53 . 1 1 27 27 TYR HD1 H 1 6.74 0.02 . 1 . . . A 65 TYR HD1 . 25002 1
54 . 1 1 27 27 TYR HD2 H 1 6.74 0.02 . 1 . . . A 65 TYR HD2 . 25002 1
55 . 1 1 27 27 TYR HE1 H 1 6.58 0.02 . 1 . . . A 65 TYR HE1 . 25002 1
56 . 1 1 27 27 TYR HE2 H 1 6.58 0.02 . 1 . . . A 65 TYR HE2 . 25002 1
57 . 1 1 27 27 TYR CA C 13 57.79 0.05 . 1 . . . A 65 TYR CA . 25002 1
58 . 1 1 27 27 TYR CB C 13 41.62 0.05 . 1 . . . A 65 TYR CB . 25002 1
59 . 1 1 27 27 TYR N N 15 128.80 0.05 . 1 . . . A 65 TYR N . 25002 1
60 . 1 1 28 28 THR H H 1 7.53 0.02 . 1 . . . A 66 THR H . 25002 1
61 . 1 1 28 28 THR HA H 1 4.33 0.02 . 1 . . . A 66 THR HA . 25002 1
62 . 1 1 28 28 THR HB H 1 3.59 0.02 . 1 . . . A 66 THR HB . 25002 1
63 . 1 1 28 28 THR HG21 H 1 0.90 0.02 . 1 . . . A 66 THR HG21 . 25002 1
64 . 1 1 28 28 THR HG22 H 1 0.90 0.02 . 1 . . . A 66 THR HG22 . 25002 1
65 . 1 1 28 28 THR HG23 H 1 0.90 0.02 . 1 . . . A 66 THR HG23 . 25002 1
66 . 1 1 28 28 THR C C 13 172.76 0.05 . 1 . . . A 66 THR C . 25002 1
67 . 1 1 28 28 THR CA C 13 61.68 0.05 . 1 . . . A 66 THR CA . 25002 1
68 . 1 1 28 28 THR CB C 13 69.05 0.05 . 1 . . . A 66 THR CB . 25002 1
69 . 1 1 28 28 THR CG2 C 13 21.18 0.05 . 1 . . . A 66 THR CG2 . 25002 1
70 . 1 1 28 28 THR N N 15 124.42 0.05 . 1 . . . A 66 THR N . 25002 1
71 . 1 1 29 29 LEU H H 1 8.19 0.02 . 1 . . . A 67 LEU H . 25002 1
72 . 1 1 29 29 LEU HA H 1 4.22 0.02 . 1 . . . A 67 LEU HA . 25002 1
73 . 1 1 29 29 LEU HB2 H 1 1.75 0.02 . 1 . . . A 67 LEU HB2 . 25002 1
74 . 1 1 29 29 LEU HB3 H 1 1.39 0.02 . 1 . . . A 67 LEU HB3 . 25002 1
75 . 1 1 29 29 LEU HG H 1 1.58 0.02 . 1 . . . A 67 LEU HG . 25002 1
76 . 1 1 29 29 LEU HD11 H 1 0.69 0.02 . 1 . . . A 67 LEU HD11 . 25002 1
77 . 1 1 29 29 LEU HD12 H 1 0.69 0.02 . 1 . . . A 67 LEU HD12 . 25002 1
78 . 1 1 29 29 LEU HD13 H 1 0.69 0.02 . 1 . . . A 67 LEU HD13 . 25002 1
79 . 1 1 29 29 LEU HD21 H 1 0.71 0.02 . 1 . . . A 67 LEU HD21 . 25002 1
80 . 1 1 29 29 LEU HD22 H 1 0.71 0.02 . 1 . . . A 67 LEU HD22 . 25002 1
81 . 1 1 29 29 LEU HD23 H 1 0.71 0.02 . 1 . . . A 67 LEU HD23 . 25002 1
82 . 1 1 29 29 LEU C C 13 174.35 0.05 . 1 . . . A 67 LEU C . 25002 1
83 . 1 1 29 29 LEU CA C 13 56.52 0.05 . 1 . . . A 67 LEU CA . 25002 1
84 . 1 1 29 29 LEU CB C 13 41.92 0.05 . 1 . . . A 67 LEU CB . 25002 1
85 . 1 1 29 29 LEU CG C 13 28.40 0.05 . 1 . . . A 67 LEU CG . 25002 1
86 . 1 1 29 29 LEU CD1 C 13 26.16 0.05 . 1 . . . A 67 LEU CD1 . 25002 1
87 . 1 1 29 29 LEU CD2 C 13 24.25 0.05 . 1 . . . A 67 LEU CD2 . 25002 1
88 . 1 1 29 29 LEU N N 15 126.44 0.05 . 1 . . . A 67 LEU N . 25002 1
89 . 1 1 30 30 LYS HA H 1 4.43 0.02 . 1 . . . A 68 LYS HA . 25002 1
90 . 1 1 30 30 LYS HB2 H 1 1.93 0.02 . 2 . . . A 68 LYS HB2 . 25002 1
91 . 1 1 30 30 LYS HB3 H 1 1.63 0.02 . 2 . . . A 68 LYS HB3 . 25002 1
92 . 1 1 30 30 LYS HG2 H 1 1.34 0.02 . 1 . . . A 68 LYS HG2 . 25002 1
93 . 1 1 30 30 LYS HG3 H 1 1.34 0.02 . 1 . . . A 68 LYS HG3 . 25002 1
94 . 1 1 30 30 LYS HD2 H 1 1.62 0.02 . 1 . . . A 68 LYS HD2 . 25002 1
95 . 1 1 30 30 LYS HD3 H 1 1.62 0.02 . 1 . . . A 68 LYS HD3 . 25002 1
96 . 1 1 30 30 LYS HE2 H 1 3.02 0.02 . 1 . . . A 68 LYS HE2 . 25002 1
97 . 1 1 30 30 LYS HE3 H 1 3.02 0.02 . 1 . . . A 68 LYS HE3 . 25002 1
98 . 1 1 30 30 LYS C C 13 175.69 0.05 . 1 . . . A 68 LYS C . 25002 1
99 . 1 1 30 30 LYS CA C 13 54.43 0.05 . 1 . . . A 68 LYS CA . 25002 1
100 . 1 1 30 30 LYS CB C 13 33.79 0.05 . 1 . . . A 68 LYS CB . 25002 1
101 . 1 1 30 30 LYS CG C 13 24.74 0.05 . 1 . . . A 68 LYS CG . 25002 1
102 . 1 1 30 30 LYS CD C 13 28.71 0.05 . 1 . . . A 68 LYS CD . 25002 1
103 . 1 1 30 30 LYS CE C 13 41.91 0.05 . 1 . . . A 68 LYS CE . 25002 1
104 . 1 1 31 31 THR H H 1 8.10 0.02 . 1 . . . A 69 THR H . 25002 1
105 . 1 1 31 31 THR HA H 1 3.72 0.02 . 1 . . . A 69 THR HA . 25002 1
106 . 1 1 31 31 THR HB H 1 3.93 0.02 . 1 . . . A 69 THR HB . 25002 1
107 . 1 1 31 31 THR HG21 H 1 1.20 0.02 . 1 . . . A 69 THR HG21 . 25002 1
108 . 1 1 31 31 THR HG22 H 1 1.20 0.02 . 1 . . . A 69 THR HG22 . 25002 1
109 . 1 1 31 31 THR HG23 H 1 1.20 0.02 . 1 . . . A 69 THR HG23 . 25002 1
110 . 1 1 31 31 THR C C 13 179.46 0.05 . 1 . . . A 69 THR C . 25002 1
111 . 1 1 31 31 THR CA C 13 65.06 0.05 . 1 . . . A 69 THR CA . 25002 1
112 . 1 1 31 31 THR CB C 13 68.67 0.05 . 1 . . . A 69 THR CB . 25002 1
113 . 1 1 31 31 THR CG2 C 13 21.54 0.05 . 1 . . . A 69 THR CG2 . 25002 1
114 . 1 1 31 31 THR N N 15 114.30 0.05 . 1 . . . A 69 THR N . 25002 1
115 . 1 1 32 32 GLY H H 1 8.60 0.02 . 1 . . . A 70 GLY H . 25002 1
116 . 1 1 32 32 GLY HA2 H 1 4.14 0.02 . 2 . . . A 70 GLY HA2 . 25002 1
117 . 1 1 32 32 GLY HA3 H 1 3.66 0.02 . 2 . . . A 70 GLY HA3 . 25002 1
118 . 1 1 32 32 GLY C C 13 173.11 0.05 . 1 . . . A 70 GLY C . 25002 1
119 . 1 1 32 32 GLY CA C 13 45.33 0.05 . 1 . . . A 70 GLY CA . 25002 1
120 . 1 1 32 32 GLY N N 15 114.72 0.05 . 1 . . . A 70 GLY N . 25002 1
121 . 1 1 33 33 GLU H H 1 8.07 0.02 . 1 . . . A 71 GLU H . 25002 1
122 . 1 1 33 33 GLU HA H 1 4.72 0.02 . 1 . . . A 71 GLU HA . 25002 1
123 . 1 1 33 33 GLU HB2 H 1 2.06 0.02 . 1 . . . A 71 GLU HB2 . 25002 1
124 . 1 1 33 33 GLU HB3 H 1 2.06 0.02 . 1 . . . A 71 GLU HB3 . 25002 1
125 . 1 1 33 33 GLU HG2 H 1 2.22 0.02 . 2 . . . A 71 GLU HG2 . 25002 1
126 . 1 1 33 33 GLU HG3 H 1 2.13 0.02 . 2 . . . A 71 GLU HG3 . 25002 1
127 . 1 1 33 33 GLU C C 13 175.10 0.05 . 1 . . . A 71 GLU C . 25002 1
128 . 1 1 33 33 GLU CA C 13 55.55 0.05 . 1 . . . A 71 GLU CA . 25002 1
129 . 1 1 33 33 GLU CB C 13 32.42 0.05 . 1 . . . A 71 GLU CB . 25002 1
130 . 1 1 33 33 GLU CG C 13 36.79 0.05 . 1 . . . A 71 GLU CG . 25002 1
131 . 1 1 33 33 GLU N N 15 120.89 0.05 . 1 . . . A 71 GLU N . 25002 1
132 . 1 1 34 34 THR H H 1 7.87 0.02 . 1 . . . A 72 THR H . 25002 1
133 . 1 1 34 34 THR HA H 1 4.79 0.02 . 1 . . . A 72 THR HA . 25002 1
134 . 1 1 34 34 THR HB H 1 4.81 0.02 . 1 . . . A 72 THR HB . 25002 1
135 . 1 1 34 34 THR HG21 H 1 1.21 0.02 . 1 . . . A 72 THR HG21 . 25002 1
136 . 1 1 34 34 THR HG22 H 1 1.21 0.02 . 1 . . . A 72 THR HG22 . 25002 1
137 . 1 1 34 34 THR HG23 H 1 1.21 0.02 . 1 . . . A 72 THR HG23 . 25002 1
138 . 1 1 34 34 THR C C 13 175.34 0.05 . 1 . . . A 72 THR C . 25002 1
139 . 1 1 34 34 THR CA C 13 58.86 0.05 . 1 . . . A 72 THR CA . 25002 1
140 . 1 1 34 34 THR CB C 13 72.64 0.05 . 1 . . . A 72 THR CB . 25002 1
141 . 1 1 34 34 THR CG2 C 13 21.43 0.05 . 1 . . . A 72 THR CG2 . 25002 1
142 . 1 1 34 34 THR N N 15 110.90 0.05 . 1 . . . A 72 THR N . 25002 1
143 . 1 1 35 35 VAL H H 1 9.29 0.02 . 1 . . . A 73 VAL H . 25002 1
144 . 1 1 35 35 VAL HA H 1 3.42 0.02 . 1 . . . A 73 VAL HA . 25002 1
145 . 1 1 35 35 VAL HB H 1 1.94 0.02 . 1 . . . A 73 VAL HB . 25002 1
146 . 1 1 35 35 VAL HG11 H 1 0.81 0.02 . 1 . . . A 73 VAL HG11 . 25002 1
147 . 1 1 35 35 VAL HG12 H 1 0.81 0.02 . 1 . . . A 73 VAL HG12 . 25002 1
148 . 1 1 35 35 VAL HG13 H 1 0.81 0.02 . 1 . . . A 73 VAL HG13 . 25002 1
149 . 1 1 35 35 VAL HG21 H 1 1.11 0.02 . 1 . . . A 73 VAL HG21 . 25002 1
150 . 1 1 35 35 VAL HG22 H 1 1.11 0.02 . 1 . . . A 73 VAL HG22 . 25002 1
151 . 1 1 35 35 VAL HG23 H 1 1.11 0.02 . 1 . . . A 73 VAL HG23 . 25002 1
152 . 1 1 35 35 VAL C C 13 177.56 0.05 . 1 . . . A 73 VAL C . 25002 1
153 . 1 1 35 35 VAL CA C 13 67.09 0.05 . 1 . . . A 73 VAL CA . 25002 1
154 . 1 1 35 35 VAL CB C 13 31.54 0.05 . 1 . . . A 73 VAL CB . 25002 1
155 . 1 1 35 35 VAL CG1 C 13 21.99 0.05 . 1 . . . A 73 VAL CG1 . 25002 1
156 . 1 1 35 35 VAL CG2 C 13 24.46 0.05 . 1 . . . A 73 VAL CG2 . 25002 1
157 . 1 1 35 35 VAL N N 15 122.03 0.05 . 1 . . . A 73 VAL N . 25002 1
158 . 1 1 36 36 ALA H H 1 8.62 0.02 . 1 . . . A 74 ALA H . 25002 1
159 . 1 1 36 36 ALA HA H 1 3.88 0.02 . 1 . . . A 74 ALA HA . 25002 1
160 . 1 1 36 36 ALA HB1 H 1 1.34 0.02 . 1 . . . A 74 ALA HB1 . 25002 1
161 . 1 1 36 36 ALA HB2 H 1 1.34 0.02 . 1 . . . A 74 ALA HB2 . 25002 1
162 . 1 1 36 36 ALA HB3 H 1 1.34 0.02 . 1 . . . A 74 ALA HB3 . 25002 1
163 . 1 1 36 36 ALA C C 13 180.40 0.05 . 1 . . . A 74 ALA C . 25002 1
164 . 1 1 36 36 ALA CA C 13 55.50 0.05 . 1 . . . A 74 ALA CA . 25002 1
165 . 1 1 36 36 ALA CB C 13 17.88 0.05 . 1 . . . A 74 ALA CB . 25002 1
166 . 1 1 36 36 ALA N N 15 121.19 0.05 . 1 . . . A 74 ALA N . 25002 1
167 . 1 1 37 37 ASP H H 1 7.77 0.02 . 1 . . . A 75 ASP H . 25002 1
168 . 1 1 37 37 ASP HA H 1 4.34 0.02 . 1 . . . A 75 ASP HA . 25002 1
169 . 1 1 37 37 ASP HB2 H 1 2.89 0.02 . 2 . . . A 75 ASP HB2 . 25002 1
170 . 1 1 37 37 ASP HB3 H 1 2.77 0.02 . 2 . . . A 75 ASP HB3 . 25002 1
171 . 1 1 37 37 ASP C C 13 178.77 0.05 . 1 . . . A 75 ASP C . 25002 1
172 . 1 1 37 37 ASP CA C 13 57.18 0.05 . 1 . . . A 75 ASP CA . 25002 1
173 . 1 1 37 37 ASP CB C 13 40.81 0.05 . 1 . . . A 75 ASP CB . 25002 1
174 . 1 1 37 37 ASP N N 15 118.60 0.05 . 1 . . . A 75 ASP N . 25002 1
175 . 1 1 38 38 LEU H H 1 8.11 0.02 . 1 . . . A 76 LEU H . 25002 1
176 . 1 1 38 38 LEU HA H 1 4.07 0.02 . 1 . . . A 76 LEU HA . 25002 1
177 . 1 1 38 38 LEU HB2 H 1 1.60 0.02 . 2 . . . A 76 LEU HB2 . 25002 1
178 . 1 1 38 38 LEU HB3 H 1 1.44 0.02 . 2 . . . A 76 LEU HB3 . 25002 1
179 . 1 1 38 38 LEU HG H 1 1.56 0.02 . 1 . . . A 76 LEU HG . 25002 1
180 . 1 1 38 38 LEU HD11 H 1 0.56 0.02 . 2 . . . A 76 LEU HD11 . 25002 1
181 . 1 1 38 38 LEU HD12 H 1 0.56 0.02 . 2 . . . A 76 LEU HD12 . 25002 1
182 . 1 1 38 38 LEU HD13 H 1 0.56 0.02 . 2 . . . A 76 LEU HD13 . 25002 1
183 . 1 1 38 38 LEU HD21 H 1 0.49 0.02 . 2 . . . A 76 LEU HD21 . 25002 1
184 . 1 1 38 38 LEU HD22 H 1 0.49 0.02 . 2 . . . A 76 LEU HD22 . 25002 1
185 . 1 1 38 38 LEU HD23 H 1 0.49 0.02 . 2 . . . A 76 LEU HD23 . 25002 1
186 . 1 1 38 38 LEU C C 13 178.49 0.05 . 1 . . . A 76 LEU C . 25002 1
187 . 1 1 38 38 LEU CA C 13 57.33 0.05 . 1 . . . A 76 LEU CA . 25002 1
188 . 1 1 38 38 LEU CB C 13 41.98 0.05 . 1 . . . A 76 LEU CB . 25002 1
189 . 1 1 38 38 LEU CG C 13 26.89 0.05 . 1 . . . A 76 LEU CG . 25002 1
190 . 1 1 38 38 LEU CD1 C 13 24.45 0.05 . 2 . . . A 76 LEU CD1 . 25002 1
191 . 1 1 38 38 LEU CD2 C 13 24.84 0.05 . 2 . . . A 76 LEU CD2 . 25002 1
192 . 1 1 38 38 LEU N N 15 123.69 0.05 . 1 . . . A 76 LEU N . 25002 1
193 . 1 1 39 39 SER H H 1 8.13 0.02 . 1 . . . A 77 SER H . 25002 1
194 . 1 1 39 39 SER HA H 1 4.01 0.02 . 1 . . . A 77 SER HA . 25002 1
195 . 1 1 39 39 SER HB2 H 1 3.90 0.02 . 1 . . . A 77 SER HB2 . 25002 1
196 . 1 1 39 39 SER HB3 H 1 3.90 0.02 . 1 . . . A 77 SER HB3 . 25002 1
197 . 1 1 39 39 SER HG H 1 5.47 0.02 . 1 . . . A 77 SER HG . 25002 1
198 . 1 1 39 39 SER C C 13 176.97 0.05 . 1 . . . A 77 SER C . 25002 1
199 . 1 1 39 39 SER CA C 13 60.91 0.05 . 1 . . . A 77 SER CA . 25002 1
200 . 1 1 39 39 SER CB C 13 62.97 0.05 . 1 . . . A 77 SER CB . 25002 1
201 . 1 1 39 39 SER N N 15 112.33 0.05 . 1 . . . A 77 SER N . 25002 1
202 . 1 1 40 40 LYS H H 1 7.45 0.02 . 1 . . . A 78 LYS H . 25002 1
203 . 1 1 40 40 LYS HA H 1 4.16 0.02 . 1 . . . A 78 LYS HA . 25002 1
204 . 1 1 40 40 LYS HB2 H 1 1.92 0.02 . 1 . . . A 78 LYS HB2 . 25002 1
205 . 1 1 40 40 LYS HB3 H 1 1.92 0.02 . 1 . . . A 78 LYS HB3 . 25002 1
206 . 1 1 40 40 LYS HG2 H 1 1.52 0.02 . 2 . . . A 78 LYS HG2 . 25002 1
207 . 1 1 40 40 LYS HG3 H 1 1.42 0.02 . 2 . . . A 78 LYS HG3 . 25002 1
208 . 1 1 40 40 LYS HD2 H 1 1.63 0.02 . 1 . . . A 78 LYS HD2 . 25002 1
209 . 1 1 40 40 LYS HD3 H 1 1.63 0.02 . 1 . . . A 78 LYS HD3 . 25002 1
210 . 1 1 40 40 LYS HE2 H 1 2.94 0.02 . 1 . . . A 78 LYS HE2 . 25002 1
211 . 1 1 40 40 LYS HE3 H 1 2.94 0.02 . 1 . . . A 78 LYS HE3 . 25002 1
212 . 1 1 40 40 LYS C C 13 179.46 0.05 . 1 . . . A 78 LYS C . 25002 1
213 . 1 1 40 40 LYS CA C 13 58.45 0.05 . 1 . . . A 78 LYS CA . 25002 1
214 . 1 1 40 40 LYS CB C 13 32.52 0.05 . 1 . . . A 78 LYS CB . 25002 1
215 . 1 1 40 40 LYS CG C 13 24.84 0.05 . 1 . . . A 78 LYS CG . 25002 1
216 . 1 1 40 40 LYS CD C 13 29.21 0.05 . 1 . . . A 78 LYS CD . 25002 1
217 . 1 1 40 40 LYS CE C 13 41.64 0.05 . 1 . . . A 78 LYS CE . 25002 1
218 . 1 1 40 40 LYS N N 15 118.52 0.05 . 1 . . . A 78 LYS N . 25002 1
219 . 1 1 41 41 SER H H 1 8.60 0.02 . 1 . . . A 79 SER H . 25002 1
220 . 1 1 41 41 SER HA H 1 4.15 0.02 . 1 . . . A 79 SER HA . 25002 1
221 . 1 1 41 41 SER HB2 H 1 3.94 0.02 . 1 . . . A 79 SER HB2 . 25002 1
222 . 1 1 41 41 SER HB3 H 1 3.94 0.02 . 1 . . . A 79 SER HB3 . 25002 1
223 . 1 1 41 41 SER C C 13 176.45 0.05 . 1 . . . A 79 SER C . 25002 1
224 . 1 1 41 41 SER CA C 13 60.99 0.05 . 1 . . . A 79 SER CA . 25002 1
225 . 1 1 41 41 SER CB C 13 62.62 0.05 . 1 . . . A 79 SER CB . 25002 1
226 . 1 1 41 41 SER N N 15 115.38 0.05 . 1 . . . A 79 SER N . 25002 1
227 . 1 1 42 42 GLN H H 1 7.99 0.02 . 1 . . . A 80 GLN H . 25002 1
228 . 1 1 42 42 GLN HA H 1 4.24 0.02 . 1 . . . A 80 GLN HA . 25002 1
229 . 1 1 42 42 GLN HB2 H 1 2.23 0.02 . 2 . . . A 80 GLN HB2 . 25002 1
230 . 1 1 42 42 GLN HB3 H 1 1.60 0.02 . 2 . . . A 80 GLN HB3 . 25002 1
231 . 1 1 42 42 GLN HG2 H 1 2.24 0.02 . 2 . . . A 80 GLN HG2 . 25002 1
232 . 1 1 42 42 GLN HG3 H 1 2.02 0.02 . 2 . . . A 80 GLN HG3 . 25002 1
233 . 1 1 42 42 GLN C C 13 174.73 0.05 . 1 . . . A 80 GLN C . 25002 1
234 . 1 1 42 42 GLN CA C 13 54.84 0.05 . 1 . . . A 80 GLN CA . 25002 1
235 . 1 1 42 42 GLN CB C 13 28.55 0.05 . 1 . . . A 80 GLN CB . 25002 1
236 . 1 1 42 42 GLN CG C 13 33.89 0.05 . 1 . . . A 80 GLN CG . 25002 1
237 . 1 1 42 42 GLN N N 15 116.96 0.05 . 1 . . . A 80 GLN N . 25002 1
238 . 1 1 43 43 ASP H H 1 7.54 0.02 . 1 . . . A 81 ASP H . 25002 1
239 . 1 1 43 43 ASP HA H 1 4.26 0.02 . 1 . . . A 81 ASP HA . 25002 1
240 . 1 1 43 43 ASP HB2 H 1 2.32 0.02 . 1 . . . A 81 ASP HB2 . 25002 1
241 . 1 1 43 43 ASP HB3 H 1 3.07 0.02 . 1 . . . A 81 ASP HB3 . 25002 1
242 . 1 1 43 43 ASP C C 13 174.11 0.05 . 1 . . . A 81 ASP C . 25002 1
243 . 1 1 43 43 ASP CA C 13 54.79 0.05 . 1 . . . A 81 ASP CA . 25002 1
244 . 1 1 43 43 ASP CB C 13 39.03 0.05 . 1 . . . A 81 ASP CB . 25002 1
245 . 1 1 43 43 ASP N N 15 119.59 0.05 . 1 . . . A 81 ASP N . 25002 1
246 . 1 1 44 44 ILE H H 1 7.93 0.02 . 1 . . . A 82 ILE H . 25002 1
247 . 1 1 44 44 ILE HA H 1 4.28 0.02 . 1 . . . A 82 ILE HA . 25002 1
248 . 1 1 44 44 ILE HB H 1 1.34 0.02 . 1 . . . A 82 ILE HB . 25002 1
249 . 1 1 44 44 ILE HG12 H 1 1.41 0.02 . 2 . . . A 82 ILE HG12 . 25002 1
250 . 1 1 44 44 ILE HG13 H 1 0.86 0.02 . 2 . . . A 82 ILE HG13 . 25002 1
251 . 1 1 44 44 ILE HG21 H 1 0.81 0.02 . 1 . . . A 82 ILE HG21 . 25002 1
252 . 1 1 44 44 ILE HG22 H 1 0.81 0.02 . 1 . . . A 82 ILE HG22 . 25002 1
253 . 1 1 44 44 ILE HG23 H 1 0.81 0.02 . 1 . . . A 82 ILE HG23 . 25002 1
254 . 1 1 44 44 ILE HD11 H 1 0.68 0.02 . 1 . . . A 82 ILE HD11 . 25002 1
255 . 1 1 44 44 ILE HD12 H 1 0.68 0.02 . 1 . . . A 82 ILE HD12 . 25002 1
256 . 1 1 44 44 ILE HD13 H 1 0.68 0.02 . 1 . . . A 82 ILE HD13 . 25002 1
257 . 1 1 44 44 ILE CA C 13 59.11 0.05 . 1 . . . A 82 ILE CA . 25002 1
258 . 1 1 44 44 ILE CB C 13 41.45 0.05 . 1 . . . A 82 ILE CB . 25002 1
259 . 1 1 44 44 ILE CG1 C 13 26.49 0.05 . 1 . . . A 82 ILE CG1 . 25002 1
260 . 1 1 44 44 ILE CG2 C 13 18.00 0.05 . 1 . . . A 82 ILE CG2 . 25002 1
261 . 1 1 44 44 ILE CD1 C 13 14.38 0.05 . 1 . . . A 82 ILE CD1 . 25002 1
262 . 1 1 44 44 ILE N N 15 117.37 0.05 . 1 . . . A 82 ILE N . 25002 1
263 . 1 1 45 45 ASN H H 1 8.62 0.02 . 1 . . . A 83 ASN H . 25002 1
264 . 1 1 45 45 ASN HA H 1 4.44 0.02 . 1 . . . A 83 ASN HA . 25002 1
265 . 1 1 45 45 ASN HB2 H 1 2.94 0.02 . 2 . . . A 83 ASN HB2 . 25002 1
266 . 1 1 45 45 ASN HB3 H 1 2.84 0.02 . 2 . . . A 83 ASN HB3 . 25002 1
267 . 1 1 45 45 ASN HD21 H 1 7.66 0.02 . 1 . . . A 83 ASN HD21 . 25002 1
268 . 1 1 45 45 ASN HD22 H 1 7.03 0.02 . 1 . . . A 83 ASN HD22 . 25002 1
269 . 1 1 45 45 ASN C C 13 177.77 0.05 . 1 . . . A 83 ASN C . 25002 1
270 . 1 1 45 45 ASN CA C 13 53.57 0.05 . 1 . . . A 83 ASN CA . 25002 1
271 . 1 1 45 45 ASN CB C 13 38.77 0.05 . 1 . . . A 83 ASN CB . 25002 1
272 . 1 1 45 45 ASN N N 15 125.40 0.05 . 1 . . . A 83 ASN N . 25002 1
273 . 1 1 45 45 ASN ND2 N 15 113.97 0.05 . 1 . . . A 83 ASN ND2 . 25002 1
274 . 1 1 46 46 LEU H H 1 8.92 0.02 . 1 . . . A 84 LEU H . 25002 1
275 . 1 1 46 46 LEU HA H 1 3.87 0.02 . 1 . . . A 84 LEU HA . 25002 1
276 . 1 1 46 46 LEU HB2 H 1 1.74 0.02 . 1 . . . A 84 LEU HB2 . 25002 1
277 . 1 1 46 46 LEU HB3 H 1 1.48 0.02 . 1 . . . A 84 LEU HB3 . 25002 1
278 . 1 1 46 46 LEU HD21 H 1 0.86 0.02 . 1 . . . A 84 LEU HD21 . 25002 1
279 . 1 1 46 46 LEU HD22 H 1 0.86 0.02 . 1 . . . A 84 LEU HD22 . 25002 1
280 . 1 1 46 46 LEU HD23 H 1 0.86 0.02 . 1 . . . A 84 LEU HD23 . 25002 1
281 . 1 1 46 46 LEU CA C 13 58.24 0.05 . 1 . . . A 84 LEU CA . 25002 1
282 . 1 1 46 46 LEU CB C 13 41.52 0.05 . 1 . . . A 84 LEU CB . 25002 1
283 . 1 1 46 46 LEU CG C 13 28.82 0.05 . 1 . . . A 84 LEU CG . 25002 1
284 . 1 1 46 46 LEU CD2 C 13 24.55 0.05 . 1 . . . A 84 LEU CD2 . 25002 1
285 . 1 1 46 46 LEU N N 15 125.37 0.05 . 1 . . . A 84 LEU N . 25002 1
286 . 1 1 47 47 SER H H 1 8.64 0.02 . 1 . . . A 85 SER H . 25002 1
287 . 1 1 47 47 SER HA H 1 4.73 0.02 . 1 . . . A 85 SER HA . 25002 1
288 . 1 1 47 47 SER HB2 H 1 3.95 0.02 . 1 . . . A 85 SER HB2 . 25002 1
289 . 1 1 47 47 SER HB3 H 1 3.95 0.02 . 1 . . . A 85 SER HB3 . 25002 1
290 . 1 1 47 47 SER C C 13 177.06 0.05 . 1 . . . A 85 SER C . 25002 1
291 . 1 1 47 47 SER CA C 13 61.58 0.05 . 1 . . . A 85 SER CA . 25002 1
292 . 1 1 47 47 SER CB C 13 61.82 0.05 . 1 . . . A 85 SER CB . 25002 1
293 . 1 1 47 47 SER N N 15 115.11 0.05 . 1 . . . A 85 SER N . 25002 1
294 . 1 1 48 48 THR H H 1 7.72 0.02 . 1 . . . A 86 THR H . 25002 1
295 . 1 1 48 48 THR HA H 1 3.97 0.02 . 1 . . . A 86 THR HA . 25002 1
296 . 1 1 48 48 THR HB H 1 4.30 0.02 . 1 . . . A 86 THR HB . 25002 1
297 . 1 1 48 48 THR HG21 H 1 1.11 0.02 . 1 . . . A 86 THR HG21 . 25002 1
298 . 1 1 48 48 THR HG22 H 1 1.11 0.02 . 1 . . . A 86 THR HG22 . 25002 1
299 . 1 1 48 48 THR HG23 H 1 1.11 0.02 . 1 . . . A 86 THR HG23 . 25002 1
300 . 1 1 48 48 THR C C 13 176.25 0.05 . 1 . . . A 86 THR C . 25002 1
301 . 1 1 48 48 THR CA C 13 66.03 0.05 . 1 . . . A 86 THR CA . 25002 1
302 . 1 1 48 48 THR CB C 13 68.06 0.05 . 1 . . . A 86 THR CB . 25002 1
303 . 1 1 48 48 THR CG2 C 13 21.64 0.05 . 1 . . . A 86 THR CG2 . 25002 1
304 . 1 1 48 48 THR N N 15 121.27 0.05 . 1 . . . A 86 THR N . 25002 1
305 . 1 1 49 49 ILE H H 1 7.70 0.02 . 1 . . . A 87 ILE H . 25002 1
306 . 1 1 49 49 ILE HA H 1 3.46 0.02 . 1 . . . A 87 ILE HA . 25002 1
307 . 1 1 49 49 ILE HB H 1 1.89 0.02 . 1 . . . A 87 ILE HB . 25002 1
308 . 1 1 49 49 ILE HG12 H 1 1.81 0.02 . 2 . . . A 87 ILE HG12 . 25002 1
309 . 1 1 49 49 ILE HG13 H 1 0.64 0.02 . 2 . . . A 87 ILE HG13 . 25002 1
310 . 1 1 49 49 ILE HG21 H 1 0.96 0.02 . 1 . . . A 87 ILE HG21 . 25002 1
311 . 1 1 49 49 ILE HG22 H 1 0.96 0.02 . 1 . . . A 87 ILE HG22 . 25002 1
312 . 1 1 49 49 ILE HG23 H 1 0.96 0.02 . 1 . . . A 87 ILE HG23 . 25002 1
313 . 1 1 49 49 ILE HD11 H 1 0.61 0.02 . 1 . . . A 87 ILE HD11 . 25002 1
314 . 1 1 49 49 ILE HD12 H 1 0.61 0.02 . 1 . . . A 87 ILE HD12 . 25002 1
315 . 1 1 49 49 ILE HD13 H 1 0.61 0.02 . 1 . . . A 87 ILE HD13 . 25002 1
316 . 1 1 49 49 ILE C C 13 179.27 0.05 . 1 . . . A 87 ILE C . 25002 1
317 . 1 1 49 49 ILE CA C 13 66.69 0.05 . 1 . . . A 87 ILE CA . 25002 1
318 . 1 1 49 49 ILE CB C 13 37.96 0.05 . 1 . . . A 87 ILE CB . 25002 1
319 . 1 1 49 49 ILE CG1 C 13 29.42 0.05 . 1 . . . A 87 ILE CG1 . 25002 1
320 . 1 1 49 49 ILE CG2 C 13 18.19 0.05 . 1 . . . A 87 ILE CG2 . 25002 1
321 . 1 1 49 49 ILE CD1 C 13 12.77 0.05 . 1 . . . A 87 ILE CD1 . 25002 1
322 . 1 1 49 49 ILE N N 15 120.89 0.05 . 1 . . . A 87 ILE N . 25002 1
323 . 1 1 50 50 TRP H H 1 8.98 0.02 . 1 . . . A 88 TRP H . 25002 1
324 . 1 1 50 50 TRP HA H 1 4.86 0.02 . 1 . . . A 88 TRP HA . 25002 1
325 . 1 1 50 50 TRP HB2 H 1 3.28 0.02 . 2 . . . A 88 TRP HB2 . 25002 1
326 . 1 1 50 50 TRP HB3 H 1 3.23 0.02 . 2 . . . A 88 TRP HB3 . 25002 1
327 . 1 1 50 50 TRP HD1 H 1 7.18 0.02 . 1 . . . A 88 TRP HD1 . 25002 1
328 . 1 1 50 50 TRP HE1 H 1 9.88 0.02 . 1 . . . A 88 TRP HE1 . 25002 1
329 . 1 1 50 50 TRP HE3 H 1 7.19 0.02 . 1 . . . A 88 TRP HE3 . 25002 1
330 . 1 1 50 50 TRP HZ2 H 1 7.43 0.02 . 1 . . . A 88 TRP HZ2 . 25002 1
331 . 1 1 50 50 TRP HH2 H 1 6.90 0.02 . 1 . . . A 88 TRP HH2 . 25002 1
332 . 1 1 50 50 TRP C C 13 176.80 0.05 . 1 . . . A 88 TRP C . 25002 1
333 . 1 1 50 50 TRP CA C 13 59.77 0.05 . 1 . . . A 88 TRP CA . 25002 1
334 . 1 1 50 50 TRP CB C 13 29.72 0.05 . 1 . . . A 88 TRP CB . 25002 1
335 . 1 1 50 50 TRP N N 15 122.40 0.05 . 1 . . . A 88 TRP N . 25002 1
336 . 1 1 50 50 TRP NE1 N 15 127.70 0.05 . 1 . . . A 88 TRP NE1 . 25002 1
337 . 1 1 51 51 SER H H 1 7.79 0.02 . 1 . . . A 89 SER H . 25002 1
338 . 1 1 51 51 SER HA H 1 3.64 0.02 . 1 . . . A 89 SER HA . 25002 1
339 . 1 1 51 51 SER HB2 H 1 3.96 0.02 . 1 . . . A 89 SER HB2 . 25002 1
340 . 1 1 51 51 SER HB3 H 1 3.96 0.02 . 1 . . . A 89 SER HB3 . 25002 1
341 . 1 1 51 51 SER C C 13 175.96 0.05 . 1 . . . A 89 SER C . 25002 1
342 . 1 1 51 51 SER CA C 13 61.95 0.05 . 1 . . . A 89 SER CA . 25002 1
343 . 1 1 51 51 SER CB C 13 62.67 0.05 . 1 . . . A 89 SER CB . 25002 1
344 . 1 1 51 51 SER N N 15 111.74 0.05 . 1 . . . A 89 SER N . 25002 1
345 . 1 1 52 52 LEU H H 1 7.34 0.02 . 1 . . . A 90 LEU H . 25002 1
346 . 1 1 52 52 LEU HA H 1 4.21 0.02 . 1 . . . A 90 LEU HA . 25002 1
347 . 1 1 52 52 LEU HB2 H 1 1.73 0.02 . 2 . . . A 90 LEU HB2 . 25002 1
348 . 1 1 52 52 LEU HB3 H 1 1.32 0.02 . 2 . . . A 90 LEU HB3 . 25002 1
349 . 1 1 52 52 LEU HG H 1 1.72 0.02 . 1 . . . A 90 LEU HG . 25002 1
350 . 1 1 52 52 LEU HD11 H 1 0.60 0.02 . 1 . . . A 90 LEU HD11 . 25002 1
351 . 1 1 52 52 LEU HD12 H 1 0.60 0.02 . 1 . . . A 90 LEU HD12 . 25002 1
352 . 1 1 52 52 LEU HD13 H 1 0.60 0.02 . 1 . . . A 90 LEU HD13 . 25002 1
353 . 1 1 52 52 LEU HD21 H 1 0.67 0.02 . 1 . . . A 90 LEU HD21 . 25002 1
354 . 1 1 52 52 LEU HD22 H 1 0.67 0.02 . 1 . . . A 90 LEU HD22 . 25002 1
355 . 1 1 52 52 LEU HD23 H 1 0.67 0.02 . 1 . . . A 90 LEU HD23 . 25002 1
356 . 1 1 52 52 LEU C C 13 177.19 0.05 . 1 . . . A 90 LEU C . 25002 1
357 . 1 1 52 52 LEU CA C 13 55.60 0.05 . 1 . . . A 90 LEU CA . 25002 1
358 . 1 1 52 52 LEU CB C 13 43.09 0.05 . 1 . . . A 90 LEU CB . 25002 1
359 . 1 1 52 52 LEU CG C 13 26.78 0.05 . 1 . . . A 90 LEU CG . 25002 1
360 . 1 1 52 52 LEU CD1 C 13 25.73 0.05 . 1 . . . A 90 LEU CD1 . 25002 1
361 . 1 1 52 52 LEU CD2 C 13 22.45 0.05 . 1 . . . A 90 LEU CD2 . 25002 1
362 . 1 1 52 52 LEU N N 15 117.89 0.05 . 1 . . . A 90 LEU N . 25002 1
363 . 1 1 53 53 ASN H H 1 7.65 0.02 . 1 . . . A 91 ASN H . 25002 1
364 . 1 1 53 53 ASN HA H 1 4.92 0.02 . 1 . . . A 91 ASN HA . 25002 1
365 . 1 1 53 53 ASN HB2 H 1 2.68 0.02 . 1 . . . A 91 ASN HB2 . 25002 1
366 . 1 1 53 53 ASN HB3 H 1 3.08 0.02 . 1 . . . A 91 ASN HB3 . 25002 1
367 . 1 1 53 53 ASN HD21 H 1 8.32 0.02 . 1 . . . A 91 ASN HD21 . 25002 1
368 . 1 1 53 53 ASN HD22 H 1 8.67 0.02 . 1 . . . A 91 ASN HD22 . 25002 1
369 . 1 1 53 53 ASN C C 13 176.11 0.05 . 1 . . . A 91 ASN C . 25002 1
370 . 1 1 53 53 ASN CA C 13 54.74 0.05 . 1 . . . A 91 ASN CA . 25002 1
371 . 1 1 53 53 ASN CB C 13 42.54 0.05 . 1 . . . A 91 ASN CB . 25002 1
372 . 1 1 53 53 ASN N N 15 115.42 0.05 . 1 . . . A 91 ASN N . 25002 1
373 . 1 1 53 53 ASN ND2 N 15 117.93 0.05 . 1 . . . A 91 ASN ND2 . 25002 1
374 . 1 1 54 54 LYS H H 1 7.28 0.02 . 1 . . . A 92 LYS H . 25002 1
375 . 1 1 54 54 LYS HA H 1 3.43 0.02 . 1 . . . A 92 LYS HA . 25002 1
376 . 1 1 54 54 LYS HB2 H 1 1.13 0.02 . 1 . . . A 92 LYS HB2 . 25002 1
377 . 1 1 54 54 LYS HB3 H 1 0.49 0.02 . 1 . . . A 92 LYS HB3 . 25002 1
378 . 1 1 54 54 LYS HG2 H 1 0.72 0.02 . 2 . . . A 92 LYS HG2 . 25002 1
379 . 1 1 54 54 LYS HG3 H 1 0.64 0.02 . 2 . . . A 92 LYS HG3 . 25002 1
380 . 1 1 54 54 LYS HD2 H 1 1.26 0.02 . 2 . . . A 92 LYS HD2 . 25002 1
381 . 1 1 54 54 LYS HD3 H 1 1.19 0.02 . 2 . . . A 92 LYS HD3 . 25002 1
382 . 1 1 54 54 LYS HE2 H 1 2.61 0.02 . 1 . . . A 92 LYS HE2 . 25002 1
383 . 1 1 54 54 LYS HE3 H 1 2.61 0.02 . 1 . . . A 92 LYS HE3 . 25002 1
384 . 1 1 54 54 LYS CA C 13 58.51 0.05 . 1 . . . A 92 LYS CA . 25002 1
385 . 1 1 54 54 LYS CB C 13 30.83 0.05 . 1 . . . A 92 LYS CB . 25002 1
386 . 1 1 54 54 LYS CG C 13 22.89 0.05 . 1 . . . A 92 LYS CG . 25002 1
387 . 1 1 54 54 LYS CD C 13 29.45 0.05 . 1 . . . A 92 LYS CD . 25002 1
388 . 1 1 54 54 LYS CE C 13 41.72 0.05 . 1 . . . A 92 LYS CE . 25002 1
389 . 1 1 54 54 LYS N N 15 120.14 0.05 . 1 . . . A 92 LYS N . 25002 1
390 . 1 1 55 55 HIS H H 1 8.57 0.02 . 1 . . . A 93 HIS H . 25002 1
391 . 1 1 55 55 HIS HA H 1 4.62 0.02 . 1 . . . A 93 HIS HA . 25002 1
392 . 1 1 55 55 HIS HB2 H 1 3.08 0.02 . 2 . . . A 93 HIS HB2 . 25002 1
393 . 1 1 55 55 HIS HB3 H 1 2.83 0.02 . 2 . . . A 93 HIS HB3 . 25002 1
394 . 1 1 55 55 HIS C C 13 175.59 0.05 . 1 . . . A 93 HIS C . 25002 1
395 . 1 1 55 55 HIS CA C 13 56.21 0.05 . 1 . . . A 93 HIS CA . 25002 1
396 . 1 1 55 55 HIS CB C 13 29.57 0.05 . 1 . . . A 93 HIS CB . 25002 1
397 . 1 1 55 55 HIS N N 15 115.34 0.05 . 1 . . . A 93 HIS N . 25002 1
398 . 1 1 56 56 LEU H H 1 7.44 0.02 . 1 . . . A 94 LEU H . 25002 1
399 . 1 1 56 56 LEU HA H 1 4.11 0.02 . 1 . . . A 94 LEU HA . 25002 1
400 . 1 1 56 56 LEU HB2 H 1 1.52 0.02 . 1 . . . A 94 LEU HB2 . 25002 1
401 . 1 1 56 56 LEU HB3 H 1 1.01 0.02 . 1 . . . A 94 LEU HB3 . 25002 1
402 . 1 1 56 56 LEU HG H 1 0.25 0.02 . 1 . . . A 94 LEU HG . 25002 1
403 . 1 1 56 56 LEU HD11 H 1 0.58 0.02 . 1 . . . A 94 LEU HD11 . 25002 1
404 . 1 1 56 56 LEU HD12 H 1 0.58 0.02 . 1 . . . A 94 LEU HD12 . 25002 1
405 . 1 1 56 56 LEU HD13 H 1 0.58 0.02 . 1 . . . A 94 LEU HD13 . 25002 1
406 . 1 1 56 56 LEU HD21 H 1 0.65 0.02 . 1 . . . A 94 LEU HD21 . 25002 1
407 . 1 1 56 56 LEU HD22 H 1 0.65 0.02 . 1 . . . A 94 LEU HD22 . 25002 1
408 . 1 1 56 56 LEU HD23 H 1 0.65 0.02 . 1 . . . A 94 LEU HD23 . 25002 1
409 . 1 1 56 56 LEU C C 13 175.70 0.05 . 1 . . . A 94 LEU C . 25002 1
410 . 1 1 56 56 LEU CA C 13 54.94 0.05 . 1 . . . A 94 LEU CA . 25002 1
411 . 1 1 56 56 LEU CB C 13 44.31 0.05 . 1 . . . A 94 LEU CB . 25002 1
412 . 1 1 56 56 LEU CG C 13 26.09 0.05 . 1 . . . A 94 LEU CG . 25002 1
413 . 1 1 56 56 LEU CD1 C 13 25.16 0.05 . 1 . . . A 94 LEU CD1 . 25002 1
414 . 1 1 56 56 LEU CD2 C 13 22.93 0.05 . 1 . . . A 94 LEU CD2 . 25002 1
415 . 1 1 56 56 LEU N N 15 121.47 0.05 . 1 . . . A 94 LEU N . 25002 1
416 . 1 1 57 57 TYR H H 1 7.24 0.02 . 1 . . . A 95 TYR H . 25002 1
417 . 1 1 57 57 TYR HA H 1 4.76 0.02 . 1 . . . A 95 TYR HA . 25002 1
418 . 1 1 57 57 TYR HB2 H 1 2.78 0.02 . 1 . . . A 95 TYR HB2 . 25002 1
419 . 1 1 57 57 TYR HB3 H 1 3.17 0.02 . 1 . . . A 95 TYR HB3 . 25002 1
420 . 1 1 57 57 TYR HD1 H 1 7.15 0.02 . 1 . . . A 95 TYR HD1 . 25002 1
421 . 1 1 57 57 TYR HD2 H 1 7.15 0.02 . 1 . . . A 95 TYR HD2 . 25002 1
422 . 1 1 57 57 TYR HE1 H 1 6.83 0.02 . 1 . . . A 95 TYR HE1 . 25002 1
423 . 1 1 57 57 TYR HE2 H 1 6.83 0.02 . 1 . . . A 95 TYR HE2 . 25002 1
424 . 1 1 57 57 TYR C C 13 175.49 0.05 . 1 . . . A 95 TYR C . 25002 1
425 . 1 1 57 57 TYR CA C 13 56.72 0.05 . 1 . . . A 95 TYR CA . 25002 1
426 . 1 1 57 57 TYR CB C 13 43.30 0.05 . 1 . . . A 95 TYR CB . 25002 1
427 . 1 1 57 57 TYR N N 15 115.96 0.05 . 1 . . . A 95 TYR N . 25002 1
428 . 1 1 58 58 SER H H 1 9.06 0.02 . 1 . . . A 96 SER H . 25002 1
429 . 1 1 58 58 SER HA H 1 4.34 0.02 . 1 . . . A 96 SER HA . 25002 1
430 . 1 1 58 58 SER HB2 H 1 3.99 0.02 . 1 . . . A 96 SER HB2 . 25002 1
431 . 1 1 58 58 SER HB3 H 1 3.99 0.02 . 1 . . . A 96 SER HB3 . 25002 1
432 . 1 1 58 58 SER C C 13 174.49 0.05 . 1 . . . A 96 SER C . 25002 1
433 . 1 1 58 58 SER CA C 13 60.59 0.05 . 1 . . . A 96 SER CA . 25002 1
434 . 1 1 58 58 SER CB C 13 63.33 0.05 . 1 . . . A 96 SER CB . 25002 1
435 . 1 1 58 58 SER N N 15 114.61 0.05 . 1 . . . A 96 SER N . 25002 1
436 . 1 1 59 59 SER H H 1 7.56 0.02 . 1 . . . A 97 SER H . 25002 1
437 . 1 1 59 59 SER HA H 1 4.47 0.02 . 1 . . . A 97 SER HA . 25002 1
438 . 1 1 59 59 SER HB2 H 1 3.97 0.02 . 1 . . . A 97 SER HB2 . 25002 1
439 . 1 1 59 59 SER HB3 H 1 3.97 0.02 . 1 . . . A 97 SER HB3 . 25002 1
440 . 1 1 59 59 SER CA C 13 57.07 0.05 . 1 . . . A 97 SER CA . 25002 1
441 . 1 1 59 59 SER CB C 13 65.87 0.05 . 1 . . . A 97 SER CB . 25002 1
442 . 1 1 59 59 SER N N 15 111.96 0.05 . 1 . . . A 97 SER N . 25002 1
443 . 1 1 60 60 GLU H H 1 8.43 0.02 . 1 . . . A 98 GLU H . 25002 1
444 . 1 1 60 60 GLU HA H 1 2.93 0.02 . 1 . . . A 98 GLU HA . 25002 1
445 . 1 1 60 60 GLU HB2 H 1 0.87 0.02 . 1 . . . A 98 GLU HB2 . 25002 1
446 . 1 1 60 60 GLU HB3 H 1 1.31 0.02 . 1 . . . A 98 GLU HB3 . 25002 1
447 . 1 1 60 60 GLU HG2 H 1 1.50 0.02 . 2 . . . A 98 GLU HG2 . 25002 1
448 . 1 1 60 60 GLU HG3 H 1 1.17 0.02 . 2 . . . A 98 GLU HG3 . 25002 1
449 . 1 1 60 60 GLU C C 13 179.30 0.05 . 1 . . . A 98 GLU C . 25002 1
450 . 1 1 60 60 GLU CA C 13 59.47 0.05 . 1 . . . A 98 GLU CA . 25002 1
451 . 1 1 60 60 GLU CB C 13 28.89 0.05 . 1 . . . A 98 GLU CB . 25002 1
452 . 1 1 60 60 GLU CG C 13 35.78 0.05 . 1 . . . A 98 GLU CG . 25002 1
453 . 1 1 60 60 GLU N N 15 124.16 0.05 . 1 . . . A 98 GLU N . 25002 1
454 . 1 1 61 61 SER H H 1 7.94 0.02 . 1 . . . A 99 SER H . 25002 1
455 . 1 1 61 61 SER HA H 1 3.88 0.02 . 1 . . . A 99 SER HA . 25002 1
456 . 1 1 61 61 SER HB2 H 1 3.69 0.02 . 1 . . . A 99 SER HB2 . 25002 1
457 . 1 1 61 61 SER HB3 H 1 3.69 0.02 . 1 . . . A 99 SER HB3 . 25002 1
458 . 1 1 61 61 SER C C 13 177.06 0.05 . 1 . . . A 99 SER C . 25002 1
459 . 1 1 61 61 SER CA C 13 60.82 0.05 . 1 . . . A 99 SER CA . 25002 1
460 . 1 1 61 61 SER CB C 13 62.11 0.05 . 1 . . . A 99 SER CB . 25002 1
461 . 1 1 61 61 SER N N 15 112.47 0.05 . 1 . . . A 99 SER N . 25002 1
462 . 1 1 62 62 GLU H H 1 7.51 0.02 . 1 . . . A 100 GLU H . 25002 1
463 . 1 1 62 62 GLU HA H 1 3.96 0.02 . 1 . . . A 100 GLU HA . 25002 1
464 . 1 1 62 62 GLU HB2 H 1 2.33 0.02 . 1 . . . A 100 GLU HB2 . 25002 1
465 . 1 1 62 62 GLU HB3 H 1 2.12 0.02 . 1 . . . A 100 GLU HB3 . 25002 1
466 . 1 1 62 62 GLU HG2 H 1 2.42 0.02 . 2 . . . A 100 GLU HG2 . 25002 1
467 . 1 1 62 62 GLU HG3 H 1 2.30 0.02 . 2 . . . A 100 GLU HG3 . 25002 1
468 . 1 1 62 62 GLU C C 13 177.72 0.05 . 1 . . . A 100 GLU C . 25002 1
469 . 1 1 62 62 GLU CA C 13 58.89 0.05 . 1 . . . A 100 GLU CA . 25002 1
470 . 1 1 62 62 GLU CB C 13 29.97 0.05 . 1 . . . A 100 GLU CB . 25002 1
471 . 1 1 62 62 GLU CG C 13 37.03 0.05 . 1 . . . A 100 GLU CG . 25002 1
472 . 1 1 62 62 GLU N N 15 121.24 0.05 . 1 . . . A 100 GLU N . 25002 1
473 . 1 1 63 63 MET H H 1 7.70 0.02 . 1 . . . A 101 MET H . 25002 1
474 . 1 1 63 63 MET HA H 1 2.86 0.02 . 1 . . . A 101 MET HA . 25002 1
475 . 1 1 63 63 MET HB2 H 1 1.56 0.02 . 1 . . . A 101 MET HB2 . 25002 1
476 . 1 1 63 63 MET HB3 H 1 2.25 0.02 . 1 . . . A 101 MET HB3 . 25002 1
477 . 1 1 63 63 MET HG2 H 1 1.92 0.02 . 2 . . . A 101 MET HG2 . 25002 1
478 . 1 1 63 63 MET HG3 H 1 1.82 0.02 . 2 . . . A 101 MET HG3 . 25002 1
479 . 1 1 63 63 MET HE1 H 1 1.99 0.02 . 1 . . . A 101 MET HE1 . 25002 1
480 . 1 1 63 63 MET HE2 H 1 1.99 0.02 . 1 . . . A 101 MET HE2 . 25002 1
481 . 1 1 63 63 MET HE3 H 1 1.99 0.02 . 1 . . . A 101 MET HE3 . 25002 1
482 . 1 1 63 63 MET C C 13 177.21 0.05 . 1 . . . A 101 MET C . 25002 1
483 . 1 1 63 63 MET CA C 13 58.65 0.05 . 1 . . . A 101 MET CA . 25002 1
484 . 1 1 63 63 MET CB C 13 32.42 0.05 . 1 . . . A 101 MET CB . 25002 1
485 . 1 1 63 63 MET CG C 13 31.25 0.05 . 1 . . . A 101 MET CG . 25002 1
486 . 1 1 63 63 MET CE C 13 17.44 0.05 . 1 . . . A 101 MET CE . 25002 1
487 . 1 1 63 63 MET N N 15 121.14 0.05 . 1 . . . A 101 MET N . 25002 1
488 . 1 1 64 64 MET H H 1 7.71 0.02 . 1 . . . A 102 MET H . 25002 1
489 . 1 1 64 64 MET HA H 1 4.15 0.02 . 1 . . . A 102 MET HA . 25002 1
490 . 1 1 64 64 MET HB2 H 1 2.08 0.02 . 1 . . . A 102 MET HB2 . 25002 1
491 . 1 1 64 64 MET HB3 H 1 2.08 0.02 . 1 . . . A 102 MET HB3 . 25002 1
492 . 1 1 64 64 MET HG2 H 1 2.72 0.02 . 2 . . . A 102 MET HG2 . 25002 1
493 . 1 1 64 64 MET HG3 H 1 2.61 0.02 . 2 . . . A 102 MET HG3 . 25002 1
494 . 1 1 64 64 MET CA C 13 55.86 0.05 . 1 . . . A 102 MET CA . 25002 1
495 . 1 1 64 64 MET CB C 13 29.84 0.05 . 1 . . . A 102 MET CB . 25002 1
496 . 1 1 64 64 MET CG C 13 31.71 0.05 . 1 . . . A 102 MET CG . 25002 1
497 . 1 1 64 64 MET N N 15 112.28 0.05 . 1 . . . A 102 MET N . 25002 1
498 . 1 1 65 65 LYS H H 1 7.22 0.02 . 1 . . . A 103 LYS H . 25002 1
499 . 1 1 65 65 LYS HA H 1 4.36 0.02 . 1 . . . A 103 LYS HA . 25002 1
500 . 1 1 65 65 LYS HB2 H 1 2.03 0.02 . 2 . . . A 103 LYS HB2 . 25002 1
501 . 1 1 65 65 LYS HB3 H 1 1.74 0.02 . 2 . . . A 103 LYS HB3 . 25002 1
502 . 1 1 65 65 LYS HG2 H 1 1.51 0.02 . 1 . . . A 103 LYS HG2 . 25002 1
503 . 1 1 65 65 LYS HG3 H 1 1.51 0.02 . 1 . . . A 103 LYS HG3 . 25002 1
504 . 1 1 65 65 LYS HD2 H 1 1.61 0.02 . 1 . . . A 103 LYS HD2 . 25002 1
505 . 1 1 65 65 LYS HD3 H 1 1.61 0.02 . 1 . . . A 103 LYS HD3 . 25002 1
506 . 1 1 65 65 LYS HE2 H 1 2.94 0.02 . 1 . . . A 103 LYS HE2 . 25002 1
507 . 1 1 65 65 LYS HE3 H 1 2.94 0.02 . 1 . . . A 103 LYS HE3 . 25002 1
508 . 1 1 65 65 LYS C C 13 175.50 0.05 . 1 . . . A 103 LYS C . 25002 1
509 . 1 1 65 65 LYS CA C 13 55.20 0.05 . 1 . . . A 103 LYS CA . 25002 1
510 . 1 1 65 65 LYS CB C 13 32.37 0.05 . 1 . . . A 103 LYS CB . 25002 1
511 . 1 1 65 65 LYS CG C 13 24.74 0.05 . 1 . . . A 103 LYS CG . 25002 1
512 . 1 1 65 65 LYS CD C 13 29.26 0.05 . 1 . . . A 103 LYS CD . 25002 1
513 . 1 1 65 65 LYS CE C 13 41.82 0.05 . 1 . . . A 103 LYS CE . 25002 1
514 . 1 1 65 65 LYS N N 15 118.70 0.05 . 1 . . . A 103 LYS N . 25002 1
515 . 1 1 66 66 ALA H H 1 7.43 0.02 . 1 . . . A 104 ALA H . 25002 1
516 . 1 1 66 66 ALA HA H 1 4.11 0.02 . 1 . . . A 104 ALA HA . 25002 1
517 . 1 1 66 66 ALA HB1 H 1 1.27 0.02 . 1 . . . A 104 ALA HB1 . 25002 1
518 . 1 1 66 66 ALA HB2 H 1 1.27 0.02 . 1 . . . A 104 ALA HB2 . 25002 1
519 . 1 1 66 66 ALA HB3 H 1 1.27 0.02 . 1 . . . A 104 ALA HB3 . 25002 1
520 . 1 1 66 66 ALA C C 13 176.33 0.05 . 1 . . . A 104 ALA C . 25002 1
521 . 1 1 66 66 ALA CA C 13 54.08 0.05 . 1 . . . A 104 ALA CA . 25002 1
522 . 1 1 66 66 ALA CB C 13 18.35 0.05 . 1 . . . A 104 ALA CB . 25002 1
523 . 1 1 66 66 ALA N N 15 125.39 0.05 . 1 . . . A 104 ALA N . 25002 1
524 . 1 1 67 67 ALA H H 1 8.51 0.02 . 1 . . . A 105 ALA H . 25002 1
525 . 1 1 67 67 ALA HA H 1 4.26 0.02 . 1 . . . A 105 ALA HA . 25002 1
526 . 1 1 67 67 ALA HB1 H 1 1.42 0.02 . 1 . . . A 105 ALA HB1 . 25002 1
527 . 1 1 67 67 ALA HB2 H 1 1.42 0.02 . 1 . . . A 105 ALA HB2 . 25002 1
528 . 1 1 67 67 ALA HB3 H 1 1.42 0.02 . 1 . . . A 105 ALA HB3 . 25002 1
529 . 1 1 67 67 ALA C C 13 175.00 0.05 . 1 . . . A 105 ALA C . 25002 1
530 . 1 1 67 67 ALA CA C 13 49.90 0.05 . 1 . . . A 105 ALA CA . 25002 1
531 . 1 1 67 67 ALA CB C 13 18.94 0.05 . 1 . . . A 105 ALA CB . 25002 1
532 . 1 1 67 67 ALA N N 15 127.27 0.05 . 1 . . . A 105 ALA N . 25002 1
533 . 1 1 68 68 PRO HA H 1 3.88 0.02 . 1 . . . A 106 PRO HA . 25002 1
534 . 1 1 68 68 PRO HB2 H 1 1.89 0.02 . 2 . . . A 106 PRO HB2 . 25002 1
535 . 1 1 68 68 PRO HB3 H 1 1.74 0.02 . 2 . . . A 106 PRO HB3 . 25002 1
536 . 1 1 68 68 PRO HG2 H 1 2.24 0.02 . 2 . . . A 106 PRO HG2 . 25002 1
537 . 1 1 68 68 PRO HG3 H 1 2.06 0.02 . 2 . . . A 106 PRO HG3 . 25002 1
538 . 1 1 68 68 PRO HD2 H 1 4.07 0.02 . 2 . . . A 106 PRO HD2 . 25002 1
539 . 1 1 68 68 PRO HD3 H 1 3.50 0.02 . 2 . . . A 106 PRO HD3 . 25002 1
540 . 1 1 68 68 PRO CA C 13 63.89 0.05 . 1 . . . A 106 PRO CA . 25002 1
541 . 1 1 68 68 PRO CB C 13 31.35 0.05 . 1 . . . A 106 PRO CB . 25002 1
542 . 1 1 68 68 PRO CG C 13 29.06 0.05 . 1 . . . A 106 PRO CG . 25002 1
543 . 1 1 68 68 PRO CD C 13 50.30 0.05 . 1 . . . A 106 PRO CD . 25002 1
544 . 1 1 69 69 GLY H H 1 8.87 0.02 . 1 . . . A 107 GLY H . 25002 1
545 . 1 1 69 69 GLY HA2 H 1 3.33 0.02 . 1 . . . A 107 GLY HA2 . 25002 1
546 . 1 1 69 69 GLY HA3 H 1 4.42 0.02 . 1 . . . A 107 GLY HA3 . 25002 1
547 . 1 1 69 69 GLY C C 13 174.77 0.05 . 1 . . . A 107 GLY C . 25002 1
548 . 1 1 69 69 GLY CA C 13 44.67 0.05 . 1 . . . A 107 GLY CA . 25002 1
549 . 1 1 69 69 GLY N N 15 112.96 0.05 . 1 . . . A 107 GLY N . 25002 1
550 . 1 1 70 70 GLN H H 1 8.31 0.02 . 1 . . . A 108 GLN H . 25002 1
551 . 1 1 70 70 GLN HA H 1 4.45 0.02 . 1 . . . A 108 GLN HA . 25002 1
552 . 1 1 70 70 GLN HB2 H 1 2.51 0.02 . 2 . . . A 108 GLN HB2 . 25002 1
553 . 1 1 70 70 GLN HB3 H 1 2.38 0.02 . 2 . . . A 108 GLN HB3 . 25002 1
554 . 1 1 70 70 GLN HG2 H 1 2.42 0.02 . 1 . . . A 108 GLN HG2 . 25002 1
555 . 1 1 70 70 GLN HG3 H 1 2.42 0.02 . 1 . . . A 108 GLN HG3 . 25002 1
556 . 1 1 70 70 GLN C C 13 174.52 0.05 . 1 . . . A 108 GLN C . 25002 1
557 . 1 1 70 70 GLN CA C 13 56.26 0.05 . 1 . . . A 108 GLN CA . 25002 1
558 . 1 1 70 70 GLN CB C 13 29.98 0.05 . 1 . . . A 108 GLN CB . 25002 1
559 . 1 1 70 70 GLN CG C 13 36.43 0.05 . 1 . . . A 108 GLN CG . 25002 1
560 . 1 1 70 70 GLN N N 15 120.36 0.05 . 1 . . . A 108 GLN N . 25002 1
561 . 1 1 71 71 GLN H H 1 8.20 0.02 . 1 . . . A 109 GLN H . 25002 1
562 . 1 1 71 71 GLN HA H 1 5.35 0.02 . 1 . . . A 109 GLN HA . 25002 1
563 . 1 1 71 71 GLN HB2 H 1 1.94 0.02 . 2 . . . A 109 GLN HB2 . 25002 1
564 . 1 1 71 71 GLN HB3 H 1 1.68 0.02 . 2 . . . A 109 GLN HB3 . 25002 1
565 . 1 1 71 71 GLN HG2 H 1 2.18 0.02 . 2 . . . A 109 GLN HG2 . 25002 1
566 . 1 1 71 71 GLN HG3 H 1 2.08 0.02 . 2 . . . A 109 GLN HG3 . 25002 1
567 . 1 1 71 71 GLN HE21 H 1 7.19 0.02 . 1 . . . A 109 GLN HE21 . 25002 1
568 . 1 1 71 71 GLN HE22 H 1 6.50 0.02 . 1 . . . A 109 GLN HE22 . 25002 1
569 . 1 1 71 71 GLN C C 13 175.94 0.05 . 1 . . . A 109 GLN C . 25002 1
570 . 1 1 71 71 GLN CA C 13 54.64 0.05 . 1 . . . A 109 GLN CA . 25002 1
571 . 1 1 71 71 GLN CB C 13 32.16 0.05 . 1 . . . A 109 GLN CB . 25002 1
572 . 1 1 71 71 GLN CG C 13 34.81 0.05 . 1 . . . A 109 GLN CG . 25002 1
573 . 1 1 71 71 GLN N N 15 117.50 0.05 . 1 . . . A 109 GLN N . 25002 1
574 . 1 1 71 71 GLN NE2 N 15 111.45 0.05 . 1 . . . A 109 GLN NE2 . 25002 1
575 . 1 1 72 72 ILE H H 1 9.29 0.02 . 1 . . . A 110 ILE H . 25002 1
576 . 1 1 72 72 ILE HA H 1 4.63 0.02 . 1 . . . A 110 ILE HA . 25002 1
577 . 1 1 72 72 ILE HB H 1 1.74 0.02 . 1 . . . A 110 ILE HB . 25002 1
578 . 1 1 72 72 ILE HG12 H 1 1.28 0.02 . 1 . . . A 110 ILE HG12 . 25002 1
579 . 1 1 72 72 ILE HG13 H 1 1.28 0.02 . 1 . . . A 110 ILE HG13 . 25002 1
580 . 1 1 72 72 ILE HG21 H 1 0.78 0.02 . 1 . . . A 110 ILE HG21 . 25002 1
581 . 1 1 72 72 ILE HG22 H 1 0.78 0.02 . 1 . . . A 110 ILE HG22 . 25002 1
582 . 1 1 72 72 ILE HG23 H 1 0.78 0.02 . 1 . . . A 110 ILE HG23 . 25002 1
583 . 1 1 72 72 ILE HD11 H 1 0.70 0.02 . 1 . . . A 110 ILE HD11 . 25002 1
584 . 1 1 72 72 ILE HD12 H 1 0.70 0.02 . 1 . . . A 110 ILE HD12 . 25002 1
585 . 1 1 72 72 ILE HD13 H 1 0.70 0.02 . 1 . . . A 110 ILE HD13 . 25002 1
586 . 1 1 72 72 ILE CA C 13 57.94 0.05 . 1 . . . A 110 ILE CA . 25002 1
587 . 1 1 72 72 ILE CB C 13 41.52 0.05 . 1 . . . A 110 ILE CB . 25002 1
588 . 1 1 72 72 ILE CG1 C 13 26.54 0.05 . 1 . . . A 110 ILE CG1 . 25002 1
589 . 1 1 72 72 ILE CG2 C 13 17.64 0.05 . 1 . . . A 110 ILE CG2 . 25002 1
590 . 1 1 72 72 ILE CD1 C 13 12.17 0.05 . 1 . . . A 110 ILE CD1 . 25002 1
591 . 1 1 72 72 ILE N N 15 123.05 0.05 . 1 . . . A 110 ILE N . 25002 1
592 . 1 1 73 73 ILE H H 1 10.35 0.02 . 1 . . . A 111 ILE H . 25002 1
593 . 1 1 73 73 ILE HA H 1 4.39 0.02 . 1 . . . A 111 ILE HA . 25002 1
594 . 1 1 73 73 ILE HB H 1 1.43 0.02 . 1 . . . A 111 ILE HB . 25002 1
595 . 1 1 73 73 ILE HG12 H 1 1.42 0.02 . 2 . . . A 111 ILE HG12 . 25002 1
596 . 1 1 73 73 ILE HG13 H 1 0.25 0.02 . 2 . . . A 111 ILE HG13 . 25002 1
597 . 1 1 73 73 ILE HG21 H 1 0.57 0.02 . 1 . . . A 111 ILE HG21 . 25002 1
598 . 1 1 73 73 ILE HG22 H 1 0.57 0.02 . 1 . . . A 111 ILE HG22 . 25002 1
599 . 1 1 73 73 ILE HG23 H 1 0.57 0.02 . 1 . . . A 111 ILE HG23 . 25002 1
600 . 1 1 73 73 ILE HD11 H 1 0.78 0.02 . 1 . . . A 111 ILE HD11 . 25002 1
601 . 1 1 73 73 ILE HD12 H 1 0.78 0.02 . 1 . . . A 111 ILE HD12 . 25002 1
602 . 1 1 73 73 ILE HD13 H 1 0.78 0.02 . 1 . . . A 111 ILE HD13 . 25002 1
603 . 1 1 73 73 ILE C C 13 175.59 0.05 . 1 . . . A 111 ILE C . 25002 1
604 . 1 1 73 73 ILE CA C 13 61.35 0.05 . 1 . . . A 111 ILE CA . 25002 1
605 . 1 1 73 73 ILE CB C 13 36.94 0.05 . 1 . . . A 111 ILE CB . 25002 1
606 . 1 1 73 73 ILE CG1 C 13 28.25 0.05 . 1 . . . A 111 ILE CG1 . 25002 1
607 . 1 1 73 73 ILE CG2 C 13 18.72 0.05 . 1 . . . A 111 ILE CG2 . 25002 1
608 . 1 1 73 73 ILE CD1 C 13 13.93 0.05 . 1 . . . A 111 ILE CD1 . 25002 1
609 . 1 1 73 73 ILE N N 15 128.71 0.05 . 1 . . . A 111 ILE N . 25002 1
610 . 1 1 74 74 LEU H H 1 8.72 0.02 . 1 . . . A 112 LEU H . 25002 1
611 . 1 1 74 74 LEU HA H 1 4.82 0.02 . 1 . . . A 112 LEU HA . 25002 1
612 . 1 1 74 74 LEU HB2 H 1 1.40 0.02 . 1 . . . A 112 LEU HB2 . 25002 1
613 . 1 1 74 74 LEU HB3 H 1 1.24 0.02 . 1 . . . A 112 LEU HB3 . 25002 1
614 . 1 1 74 74 LEU HG H 1 1.61 0.02 . 1 . . . A 112 LEU HG . 25002 1
615 . 1 1 74 74 LEU HD11 H 1 0.49 0.02 . 1 . . . A 112 LEU HD11 . 25002 1
616 . 1 1 74 74 LEU HD12 H 1 0.49 0.02 . 1 . . . A 112 LEU HD12 . 25002 1
617 . 1 1 74 74 LEU HD13 H 1 0.49 0.02 . 1 . . . A 112 LEU HD13 . 25002 1
618 . 1 1 74 74 LEU HD21 H 1 0.67 0.02 . 1 . . . A 112 LEU HD21 . 25002 1
619 . 1 1 74 74 LEU HD22 H 1 0.67 0.02 . 1 . . . A 112 LEU HD22 . 25002 1
620 . 1 1 74 74 LEU HD23 H 1 0.67 0.02 . 1 . . . A 112 LEU HD23 . 25002 1
621 . 1 1 74 74 LEU CA C 13 50.56 0.05 . 1 . . . A 112 LEU CA . 25002 1
622 . 1 1 74 74 LEU CB C 13 44.23 0.05 . 1 . . . A 112 LEU CB . 25002 1
623 . 1 1 74 74 LEU CD1 C 13 25.73 0.05 . 1 . . . A 112 LEU CD1 . 25002 1
624 . 1 1 74 74 LEU CD2 C 13 23.07 0.05 . 1 . . . A 112 LEU CD2 . 25002 1
625 . 1 1 74 74 LEU N N 15 124.02 0.05 . 1 . . . A 112 LEU N . 25002 1
626 . 1 1 75 75 PRO HA H 1 4.58 0.02 . 1 . . . A 113 PRO HA . 25002 1
627 . 1 1 75 75 PRO HB2 H 1 1.99 0.02 . 2 . . . A 113 PRO HB2 . 25002 1
628 . 1 1 75 75 PRO HB3 H 1 1.84 0.02 . 2 . . . A 113 PRO HB3 . 25002 1
629 . 1 1 75 75 PRO HG2 H 1 1.94 0.02 . 1 . . . A 113 PRO HG2 . 25002 1
630 . 1 1 75 75 PRO HG3 H 1 1.94 0.02 . 1 . . . A 113 PRO HG3 . 25002 1
631 . 1 1 75 75 PRO HD2 H 1 3.43 0.02 . 2 . . . A 113 PRO HD2 . 25002 1
632 . 1 1 75 75 PRO HD3 H 1 3.24 0.02 . 2 . . . A 113 PRO HD3 . 25002 1
633 . 1 1 75 75 PRO CA C 13 61.81 0.05 . 1 . . . A 113 PRO CA . 25002 1
634 . 1 1 75 75 PRO CB C 13 31.15 0.05 . 1 . . . A 113 PRO CB . 25002 1
635 . 1 1 75 75 PRO CG C 13 27.03 0.05 . 1 . . . A 113 PRO CG . 25002 1
636 . 1 1 75 75 PRO CD C 13 49.25 0.05 . 1 . . . A 113 PRO CD . 25002 1
637 . 1 1 76 76 LEU HA H 1 4.24 0.02 . 1 . . . A 114 LEU HA . 25002 1
638 . 1 1 76 76 LEU HB2 H 1 1.23 0.02 . 1 . . . A 114 LEU HB2 . 25002 1
639 . 1 1 76 76 LEU HB3 H 1 1.49 0.02 . 1 . . . A 114 LEU HB3 . 25002 1
640 . 1 1 76 76 LEU HG H 1 1.56 0.02 . 1 . . . A 114 LEU HG . 25002 1
641 . 1 1 76 76 LEU HD11 H 1 0.80 0.02 . 1 . . . A 114 LEU HD11 . 25002 1
642 . 1 1 76 76 LEU HD12 H 1 0.80 0.02 . 1 . . . A 114 LEU HD12 . 25002 1
643 . 1 1 76 76 LEU HD13 H 1 0.80 0.02 . 1 . . . A 114 LEU HD13 . 25002 1
644 . 1 1 76 76 LEU HD21 H 1 0.81 0.02 . 1 . . . A 114 LEU HD21 . 25002 1
645 . 1 1 76 76 LEU HD22 H 1 0.81 0.02 . 1 . . . A 114 LEU HD22 . 25002 1
646 . 1 1 76 76 LEU HD23 H 1 0.81 0.02 . 1 . . . A 114 LEU HD23 . 25002 1
647 . 1 1 76 76 LEU C C 13 177.37 0.05 . 1 . . . A 114 LEU C . 25002 1
648 . 1 1 76 76 LEU CA C 13 54.49 0.05 . 1 . . . A 114 LEU CA . 25002 1
649 . 1 1 76 76 LEU CB C 13 43.35 0.05 . 1 . . . A 114 LEU CB . 25002 1
650 . 1 1 76 76 LEU CG C 13 27.13 0.05 . 1 . . . A 114 LEU CG . 25002 1
651 . 1 1 76 76 LEU CD1 C 13 24.83 0.05 . 1 . . . A 114 LEU CD1 . 25002 1
652 . 1 1 76 76 LEU CD2 C 13 23.80 0.05 . 1 . . . A 114 LEU CD2 . 25002 1
653 . 1 1 77 77 LYS H H 1 8.31 0.02 . 1 . . . A 115 LYS H . 25002 1
654 . 1 1 77 77 LYS HA H 1 4.25 0.02 . 1 . . . A 115 LYS HA . 25002 1
655 . 1 1 77 77 LYS HB2 H 1 1.71 0.02 . 2 . . . A 115 LYS HB2 . 25002 1
656 . 1 1 77 77 LYS HB3 H 1 1.63 0.02 . 2 . . . A 115 LYS HB3 . 25002 1
657 . 1 1 77 77 LYS HG2 H 1 1.33 0.02 . 1 . . . A 115 LYS HG2 . 25002 1
658 . 1 1 77 77 LYS HG3 H 1 1.33 0.02 . 1 . . . A 115 LYS HG3 . 25002 1
659 . 1 1 77 77 LYS HD2 H 1 1.61 0.02 . 1 . . . A 115 LYS HD2 . 25002 1
660 . 1 1 77 77 LYS HD3 H 1 1.61 0.02 . 1 . . . A 115 LYS HD3 . 25002 1
661 . 1 1 77 77 LYS HE2 H 1 2.93 0.02 . 1 . . . A 115 LYS HE2 . 25002 1
662 . 1 1 77 77 LYS HE3 H 1 2.93 0.02 . 1 . . . A 115 LYS HE3 . 25002 1
663 . 1 1 77 77 LYS CA C 13 56.30 0.05 . 1 . . . A 115 LYS CA . 25002 1
664 . 1 1 77 77 LYS CB C 13 33.23 0.05 . 1 . . . A 115 LYS CB . 25002 1
665 . 1 1 77 77 LYS CG C 13 24.69 0.05 . 1 . . . A 115 LYS CG . 25002 1
666 . 1 1 77 77 LYS CD C 13 29.16 0.05 . 1 . . . A 115 LYS CD . 25002 1
667 . 1 1 77 77 LYS CE C 13 41.96 0.05 . 1 . . . A 115 LYS CE . 25002 1
668 . 1 1 77 77 LYS N N 15 122.85 0.05 . 1 . . . A 115 LYS N . 25002 1
669 . 1 1 78 78 LYS H H 1 8.08 0.02 . 1 . . . A 116 LYS H . 25002 1
670 . 1 1 78 78 LYS HA H 1 4.25 0.02 . 1 . . . A 116 LYS HA . 25002 1
671 . 1 1 78 78 LYS HB2 H 1 1.71 0.02 . 2 . . . A 116 LYS HB2 . 25002 1
672 . 1 1 78 78 LYS HB3 H 1 1.62 0.02 . 2 . . . A 116 LYS HB3 . 25002 1
673 . 1 1 78 78 LYS HG2 H 1 1.31 0.02 . 1 . . . A 116 LYS HG2 . 25002 1
674 . 1 1 78 78 LYS HG3 H 1 1.31 0.02 . 1 . . . A 116 LYS HG3 . 25002 1
675 . 1 1 78 78 LYS HD2 H 1 1.61 0.02 . 1 . . . A 116 LYS HD2 . 25002 1
676 . 1 1 78 78 LYS HD3 H 1 1.61 0.02 . 1 . . . A 116 LYS HD3 . 25002 1
677 . 1 1 78 78 LYS HE2 H 1 2.92 0.02 . 1 . . . A 116 LYS HE2 . 25002 1
678 . 1 1 78 78 LYS HE3 H 1 2.92 0.02 . 1 . . . A 116 LYS HE3 . 25002 1
679 . 1 1 78 78 LYS CA C 13 55.60 0.05 . 1 . . . A 116 LYS CA . 25002 1
680 . 1 1 78 78 LYS CB C 13 33.28 0.05 . 1 . . . A 116 LYS CB . 25002 1
681 . 1 1 78 78 LYS CG C 13 24.43 0.05 . 1 . . . A 116 LYS CG . 25002 1
682 . 1 1 78 78 LYS CD C 13 28.91 0.05 . 1 . . . A 116 LYS CD . 25002 1
683 . 1 1 78 78 LYS CE C 13 41.95 0.05 . 1 . . . A 116 LYS CE . 25002 1
684 . 1 1 78 78 LYS N N 15 121.58 0.05 . 1 . . . A 116 LYS N . 25002 1
685 . 1 1 79 79 LEU H H 1 8.32 0.02 . 1 . . . A 117 LEU H . 25002 1
686 . 1 1 79 79 LEU HB3 H 1 1.41 0.02 . 2 . . . A 117 LEU HB3 . 25002 1
687 . 1 1 79 79 LEU CA C 13 52.86 0.05 . 1 . . . A 117 LEU CA . 25002 1
688 . 1 1 79 79 LEU CB C 13 41.31 0.05 . 1 . . . A 117 LEU CB . 25002 1
689 . 1 1 79 79 LEU N N 15 125.22 0.05 . 1 . . . A 117 LEU N . 25002 1
690 . 1 1 80 80 PRO HA H 1 4.35 0.02 . 1 . . . A 118 PRO HA . 25002 1
691 . 1 1 80 80 PRO HB2 H 1 2.23 0.02 . 2 . . . A 118 PRO HB2 . 25002 1
692 . 1 1 80 80 PRO HB3 H 1 1.81 0.02 . 2 . . . A 118 PRO HB3 . 25002 1
693 . 1 1 80 80 PRO HG2 H 1 1.99 0.02 . 2 . . . A 118 PRO HG2 . 25002 1
694 . 1 1 80 80 PRO HG3 H 1 1.96 0.02 . 2 . . . A 118 PRO HG3 . 25002 1
695 . 1 1 80 80 PRO HD2 H 1 3.74 0.02 . 2 . . . A 118 PRO HD2 . 25002 1
696 . 1 1 80 80 PRO HD3 H 1 3.59 0.02 . 2 . . . A 118 PRO HD3 . 25002 1
697 . 1 1 80 80 PRO CA C 13 62.82 0.05 . 1 . . . A 118 PRO CA . 25002 1
698 . 1 1 80 80 PRO CB C 13 31.86 0.05 . 1 . . . A 118 PRO CB . 25002 1
699 . 1 1 80 80 PRO CG C 13 27.23 0.05 . 1 . . . A 118 PRO CG . 25002 1
700 . 1 1 80 80 PRO CD C 13 50.16 0.05 . 1 . . . A 118 PRO CD . 25002 1
701 . 1 1 81 81 PHE H H 1 8.24 0.02 . 1 . . . A 119 PHE H . 25002 1
702 . 1 1 81 81 PHE C C 13 177.24 0.05 . 1 . . . A 119 PHE C . 25002 1
703 . 1 1 81 81 PHE CA C 13 55.14 0.05 . 1 . . . A 119 PHE CA . 25002 1
704 . 1 1 81 81 PHE CB C 13 42.08 0.05 . 1 . . . A 119 PHE CB . 25002 1
705 . 1 1 81 81 PHE N N 15 122.61 0.05 . 1 . . . A 119 PHE N . 25002 1
706 . 1 1 88 88 LEU H H 1 7.62 0.02 . 1 . . . A 126 LEU H . 25002 1
707 . 1 1 88 88 LEU HA H 1 4.28 0.02 . 1 . . . A 126 LEU HA . 25002 1
708 . 1 1 88 88 LEU HB2 H 1 1.55 0.02 . 2 . . . A 126 LEU HB2 . 25002 1
709 . 1 1 88 88 LEU HB3 H 1 1.51 0.02 . 2 . . . A 126 LEU HB3 . 25002 1
710 . 1 1 88 88 LEU HG H 1 1.56 0.02 . 1 . . . A 126 LEU HG . 25002 1
711 . 1 1 88 88 LEU HD11 H 1 0.81 0.02 . 2 . . . A 126 LEU HD11 . 25002 1
712 . 1 1 88 88 LEU HD12 H 1 0.81 0.02 . 2 . . . A 126 LEU HD12 . 25002 1
713 . 1 1 88 88 LEU HD13 H 1 0.81 0.02 . 2 . . . A 126 LEU HD13 . 25002 1
714 . 1 1 88 88 LEU HD21 H 1 0.88 0.02 . 2 . . . A 126 LEU HD21 . 25002 1
715 . 1 1 88 88 LEU HD22 H 1 0.88 0.02 . 2 . . . A 126 LEU HD22 . 25002 1
716 . 1 1 88 88 LEU HD23 H 1 0.88 0.02 . 2 . . . A 126 LEU HD23 . 25002 1
717 . 1 1 88 88 LEU C C 13 177.37 0.05 . 1 . . . A 126 LEU C . 25002 1
718 . 1 1 88 88 LEU CA C 13 54.94 0.05 . 1 . . . A 126 LEU CA . 25002 1
719 . 1 1 88 88 LEU CB C 13 41.98 0.05 . 1 . . . A 126 LEU CB . 25002 1
720 . 1 1 88 88 LEU CG C 13 26.93 0.05 . 1 . . . A 126 LEU CG . 25002 1
721 . 1 1 88 88 LEU CD1 C 13 23.33 0.05 . 2 . . . A 126 LEU CD1 . 25002 1
722 . 1 1 88 88 LEU CD2 C 13 24.83 0.05 . 2 . . . A 126 LEU CD2 . 25002 1
723 . 1 1 88 88 LEU N N 15 121.23 0.05 . 1 . . . A 126 LEU N . 25002 1
724 . 1 1 89 89 LEU H H 1 8.10 0.02 . 1 . . . A 127 LEU H . 25002 1
725 . 1 1 89 89 LEU HA H 1 4.37 0.02 . 1 . . . A 127 LEU HA . 25002 1
726 . 1 1 89 89 LEU HB3 H 1 1.55 0.02 . 2 . . . A 127 LEU HB3 . 25002 1
727 . 1 1 89 89 LEU CA C 13 54.89 0.05 . 1 . . . A 127 LEU CA . 25002 1
728 . 1 1 89 89 LEU CB C 13 41.93 0.05 . 1 . . . A 127 LEU CB . 25002 1
729 . 1 1 89 89 LEU CG C 13 27.0 0.05 . 1 . . . A 127 LEU CG . 25002 1
730 . 1 1 89 89 LEU CD1 C 13 24.9 0.05 . 2 . . . A 127 LEU CD1 . 25002 1
731 . 1 1 89 89 LEU CD2 C 13 23.3 0.05 . 2 . . . A 127 LEU CD2 . 25002 1
732 . 1 1 89 89 LEU N N 15 122.88 0.05 . 1 . . . A 127 LEU N . 25002 1
733 . 1 1 90 90 GLY H H 1 7.89 0.02 . 1 . . . A 128 GLY H . 25002 1
734 . 1 1 90 90 GLY N N 15 113.57 0.05 . 1 . . . A 128 GLY N . 25002 1
735 . 1 1 93 93 PRO HA H 1 4.35 0.02 . 1 . . . A 131 PRO HA . 25002 1
736 . 1 1 93 93 PRO HB2 H 1 2.22 0.02 . 2 . . . A 131 PRO HB2 . 25002 1
737 . 1 1 93 93 PRO HB3 H 1 1.81 0.02 . 2 . . . A 131 PRO HB3 . 25002 1
738 . 1 1 93 93 PRO HG2 H 1 1.94 0.02 . 2 . . . A 131 PRO HG2 . 25002 1
739 . 1 1 93 93 PRO HG3 H 1 1.89 0.02 . 2 . . . A 131 PRO HG3 . 25002 1
740 . 1 1 93 93 PRO HD2 H 1 3.73 0.02 . 2 . . . A 131 PRO HD2 . 25002 1
741 . 1 1 93 93 PRO HD3 H 1 3.54 0.02 . 2 . . . A 131 PRO HD3 . 25002 1
742 . 1 1 93 93 PRO CA C 13 62.77 0.05 . 1 . . . A 131 PRO CA . 25002 1
743 . 1 1 93 93 PRO CB C 13 31.86 0.05 . 1 . . . A 131 PRO CB . 25002 1
744 . 1 1 93 93 PRO CG C 13 27.23 0.05 . 1 . . . A 131 PRO CG . 25002 1
745 . 1 1 93 93 PRO CD C 13 50.16 0.05 . 1 . . . A 131 PRO CD . 25002 1
746 . 1 1 94 94 LEU H H 1 8.28 0.02 . 1 . . . A 132 LEU H . 25002 1
747 . 1 1 94 94 LEU HA H 1 4.25 0.02 . 1 . . . A 132 LEU HA . 25002 1
748 . 1 1 94 94 LEU HB2 H 1 1.56 0.02 . 2 . . . A 132 LEU HB2 . 25002 1
749 . 1 1 94 94 LEU HB3 H 1 1.51 0.02 . 2 . . . A 132 LEU HB3 . 25002 1
750 . 1 1 94 94 LEU HG H 1 1.54 0.02 . 1 . . . A 132 LEU HG . 25002 1
751 . 1 1 94 94 LEU HD11 H 1 0.84 0.02 . 2 . . . A 132 LEU HD11 . 25002 1
752 . 1 1 94 94 LEU HD12 H 1 0.84 0.02 . 2 . . . A 132 LEU HD12 . 25002 1
753 . 1 1 94 94 LEU HD13 H 1 0.84 0.02 . 2 . . . A 132 LEU HD13 . 25002 1
754 . 1 1 94 94 LEU HD21 H 1 0.87 0.02 . 2 . . . A 132 LEU HD21 . 25002 1
755 . 1 1 94 94 LEU HD22 H 1 0.87 0.02 . 2 . . . A 132 LEU HD22 . 25002 1
756 . 1 1 94 94 LEU HD23 H 1 0.87 0.02 . 2 . . . A 132 LEU HD23 . 25002 1
757 . 1 1 94 94 LEU CA C 13 55.13 0.05 . 1 . . . A 132 LEU CA . 25002 1
758 . 1 1 94 94 LEU CB C 13 41.98 0.05 . 1 . . . A 132 LEU CB . 25002 1
759 . 1 1 94 94 LEU CG C 13 26.93 0.05 . 1 . . . A 132 LEU CG . 25002 1
760 . 1 1 94 94 LEU CD1 C 13 23.55 0.05 . 2 . . . A 132 LEU CD1 . 25002 1
761 . 1 1 94 94 LEU CD2 C 13 24.69 0.05 . 2 . . . A 132 LEU CD2 . 25002 1
762 . 1 1 94 94 LEU N N 15 122.70 0.05 . 1 . . . A 132 LEU N . 25002 1
763 . 1 1 95 95 VAL H H 1 8.00 0.02 . 1 . . . A 133 VAL H . 25002 1
764 . 1 1 95 95 VAL HA H 1 4.04 0.02 . 1 . . . A 133 VAL HA . 25002 1
765 . 1 1 95 95 VAL HB H 1 1.99 0.02 . 1 . . . A 133 VAL HB . 25002 1
766 . 1 1 95 95 VAL HG11 H 1 0.86 0.02 . 2 . . . A 133 VAL HG11 . 25002 1
767 . 1 1 95 95 VAL HG12 H 1 0.86 0.02 . 2 . . . A 133 VAL HG12 . 25002 1
768 . 1 1 95 95 VAL HG13 H 1 0.86 0.02 . 2 . . . A 133 VAL HG13 . 25002 1
769 . 1 1 95 95 VAL HG21 H 1 0.87 0.02 . 2 . . . A 133 VAL HG21 . 25002 1
770 . 1 1 95 95 VAL HG22 H 1 0.87 0.02 . 2 . . . A 133 VAL HG22 . 25002 1
771 . 1 1 95 95 VAL HG23 H 1 0.87 0.02 . 2 . . . A 133 VAL HG23 . 25002 1
772 . 1 1 95 95 VAL CA C 13 61.75 0.05 . 1 . . . A 133 VAL CA . 25002 1
773 . 1 1 95 95 VAL CB C 13 32.77 0.05 . 1 . . . A 133 VAL CB . 25002 1
774 . 1 1 95 95 VAL CG1 C 13 20.22 0.05 . 2 . . . A 133 VAL CG1 . 25002 1
775 . 1 1 95 95 VAL CG2 C 13 20.98 0.05 . 2 . . . A 133 VAL CG2 . 25002 1
776 . 1 1 95 95 VAL N N 15 121.54 0.05 . 1 . . . A 133 VAL N . 25002 1
777 . 1 1 96 96 ALA H H 1 8.31 0.02 . 1 . . . A 134 ALA H . 25002 1
778 . 1 1 96 96 ALA HA H 1 4.27 0.02 . 1 . . . A 134 ALA HA . 25002 1
779 . 1 1 96 96 ALA HB1 H 1 1.32 0.02 . 1 . . . A 134 ALA HB1 . 25002 1
780 . 1 1 96 96 ALA HB2 H 1 1.32 0.02 . 1 . . . A 134 ALA HB2 . 25002 1
781 . 1 1 96 96 ALA HB3 H 1 1.32 0.02 . 1 . . . A 134 ALA HB3 . 25002 1
782 . 1 1 96 96 ALA CA C 13 52.35 0.05 . 1 . . . A 134 ALA CA . 25002 1
783 . 1 1 96 96 ALA CB C 13 19.05 0.05 . 1 . . . A 134 ALA CB . 25002 1
784 . 1 1 96 96 ALA N N 15 128.31 0.05 . 1 . . . A 134 ALA N . 25002 1
785 . 1 1 97 97 ALA H H 1 8.24 0.02 . 1 . . . A 135 ALA H . 25002 1
786 . 1 1 97 97 ALA HA H 1 4.23 0.02 . 1 . . . A 135 ALA HA . 25002 1
787 . 1 1 97 97 ALA HB1 H 1 1.32 0.02 . 1 . . . A 135 ALA HB1 . 25002 1
788 . 1 1 97 97 ALA HB2 H 1 1.32 0.02 . 1 . . . A 135 ALA HB2 . 25002 1
789 . 1 1 97 97 ALA HB3 H 1 1.32 0.02 . 1 . . . A 135 ALA HB3 . 25002 1
790 . 1 1 97 97 ALA CA C 13 52.43 0.05 . 1 . . . A 135 ALA CA . 25002 1
791 . 1 1 97 97 ALA CB C 13 18.94 0.05 . 1 . . . A 135 ALA CB . 25002 1
792 . 1 1 97 97 ALA N N 15 123.83 0.05 . 1 . . . A 135 ALA N . 25002 1
793 . 1 1 98 98 GLY H H 1 8.33 0.02 . 1 . . . A 136 GLY H . 25002 1
794 . 1 1 98 98 GLY HA2 H 1 3.90 0.02 . 1 . . . A 136 GLY HA2 . 25002 1
795 . 1 1 98 98 GLY HA3 H 1 3.90 0.02 . 1 . . . A 136 GLY HA3 . 25002 1
796 . 1 1 98 98 GLY C C 13 174.59 0.05 . 1 . . . A 136 GLY C . 25002 1
797 . 1 1 98 98 GLY CA C 13 45.03 0.05 . 1 . . . A 136 GLY CA . 25002 1
798 . 1 1 98 98 GLY N N 15 108.31 0.05 . 1 . . . A 136 GLY N . 25002 1
799 . 1 1 99 99 GLY H H 1 8.17 0.02 . 1 . . . A 137 GLY H . 25002 1
800 . 1 1 99 99 GLY HA2 H 1 3.92 0.02 . 1 . . . A 137 GLY HA2 . 25002 1
801 . 1 1 99 99 GLY HA3 H 1 3.92 0.02 . 1 . . . A 137 GLY HA3 . 25002 1
802 . 1 1 99 99 GLY C C 13 173.99 0.05 . 1 . . . A 137 GLY C . 25002 1
803 . 1 1 99 99 GLY CA C 13 44.92 0.05 . 1 . . . A 137 GLY CA . 25002 1
804 . 1 1 99 99 GLY N N 15 108.72 0.05 . 1 . . . A 137 GLY N . 25002 1
805 . 1 1 100 100 VAL H H 1 7.97 0.02 . 1 . . . A 138 VAL H . 25002 1
806 . 1 1 100 100 VAL HA H 1 4.05 0.02 . 1 . . . A 138 VAL HA . 25002 1
807 . 1 1 100 100 VAL HB H 1 1.99 0.02 . 1 . . . A 138 VAL HB . 25002 1
808 . 1 1 100 100 VAL HG11 H 1 0.86 0.02 . 2 . . . A 138 VAL HG11 . 25002 1
809 . 1 1 100 100 VAL HG12 H 1 0.86 0.02 . 2 . . . A 138 VAL HG12 . 25002 1
810 . 1 1 100 100 VAL HG13 H 1 0.86 0.02 . 2 . . . A 138 VAL HG13 . 25002 1
811 . 1 1 100 100 VAL HG21 H 1 0.88 0.02 . 2 . . . A 138 VAL HG21 . 25002 1
812 . 1 1 100 100 VAL HG22 H 1 0.88 0.02 . 2 . . . A 138 VAL HG22 . 25002 1
813 . 1 1 100 100 VAL HG23 H 1 0.88 0.02 . 2 . . . A 138 VAL HG23 . 25002 1
814 . 1 1 100 100 VAL C C 13 175.94 0.05 . 1 . . . A 138 VAL C . 25002 1
815 . 1 1 100 100 VAL CA C 13 61.93 0.05 . 1 . . . A 138 VAL CA . 25002 1
816 . 1 1 100 100 VAL CB C 13 32.77 0.05 . 1 . . . A 138 VAL CB . 25002 1
817 . 1 1 100 100 VAL CG1 C 13 20.09 0.05 . 2 . . . A 138 VAL CG1 . 25002 1
818 . 1 1 100 100 VAL CG2 C 13 21.10 0.05 . 2 . . . A 138 VAL CG2 . 25002 1
819 . 1 1 100 100 VAL N N 15 119.23 0.05 . 1 . . . A 138 VAL N . 25002 1
820 . 1 1 101 101 ALA H H 1 8.37 0.02 . 1 . . . A 139 ALA H . 25002 1
821 . 1 1 101 101 ALA HA H 1 4.26 0.02 . 1 . . . A 139 ALA HA . 25002 1
822 . 1 1 101 101 ALA HB1 H 1 1.33 0.02 . 1 . . . A 139 ALA HB1 . 25002 1
823 . 1 1 101 101 ALA HB2 H 1 1.33 0.02 . 1 . . . A 139 ALA HB2 . 25002 1
824 . 1 1 101 101 ALA HB3 H 1 1.33 0.02 . 1 . . . A 139 ALA HB3 . 25002 1
825 . 1 1 101 101 ALA C C 13 177.97 0.05 . 1 . . . A 139 ALA C . 25002 1
826 . 1 1 101 101 ALA CA C 13 52.59 0.05 . 1 . . . A 139 ALA CA . 25002 1
827 . 1 1 101 101 ALA CB C 13 18.94 0.05 . 1 . . . A 139 ALA CB . 25002 1
828 . 1 1 101 101 ALA N N 15 127.75 0.05 . 1 . . . A 139 ALA N . 25002 1
829 . 1 1 102 102 GLY H H 1 8.25 0.02 . 1 . . . A 140 GLY H . 25002 1
830 . 1 1 102 102 GLY HA2 H 1 3.99 0.02 . 1 . . . A 140 GLY HA2 . 25002 1
831 . 1 1 102 102 GLY HA3 H 1 3.99 0.02 . 1 . . . A 140 GLY HA3 . 25002 1
832 . 1 1 102 102 GLY C C 13 173.27 0.05 . 1 . . . A 140 GLY C . 25002 1
833 . 1 1 102 102 GLY CA C 13 45.21 0.05 . 1 . . . A 140 GLY CA . 25002 1
834 . 1 1 102 102 GLY N N 15 108.21 0.05 . 1 . . . A 140 GLY N . 25002 1
835 . 1 1 103 103 HIS H H 1 8.14 0.02 . 1 . . . A 141 HIS H . 25002 1
836 . 1 1 103 103 HIS HA H 1 4.68 0.02 . 1 . . . A 141 HIS HA . 25002 1
837 . 1 1 103 103 HIS HB2 H 1 3.11 0.02 . 2 . . . A 141 HIS HB2 . 25002 1
838 . 1 1 103 103 HIS HB3 H 1 3.06 0.02 . 2 . . . A 141 HIS HB3 . 25002 1
839 . 1 1 103 103 HIS CA C 13 55.89 0.05 . 1 . . . A 141 HIS CA . 25002 1
840 . 1 1 103 103 HIS CB C 13 30.64 0.05 . 1 . . . A 141 HIS CB . 25002 1
841 . 1 1 103 103 HIS N N 15 119.49 0.05 . 1 . . . A 141 HIS N . 25002 1
842 . 1 1 104 104 THR H H 1 8.11 0.02 . 1 . . . A 142 THR H . 25002 1
843 . 1 1 104 104 THR HA H 1 4.29 0.02 . 1 . . . A 142 THR HA . 25002 1
844 . 1 1 104 104 THR HB H 1 4.17 0.02 . 1 . . . A 142 THR HB . 25002 1
845 . 1 1 104 104 THR HG21 H 1 1.10 0.02 . 1 . . . A 142 THR HG21 . 25002 1
846 . 1 1 104 104 THR HG22 H 1 1.10 0.02 . 1 . . . A 142 THR HG22 . 25002 1
847 . 1 1 104 104 THR HG23 H 1 1.10 0.02 . 1 . . . A 142 THR HG23 . 25002 1
848 . 1 1 104 104 THR C C 13 173.28 0.05 . 1 . . . A 142 THR C . 25002 1
849 . 1 1 104 104 THR CA C 13 61.37 0.05 . 1 . . . A 142 THR CA . 25002 1
850 . 1 1 104 104 THR CB C 13 69.69 0.05 . 1 . . . A 142 THR CB . 25002 1
851 . 1 1 104 104 THR CG2 C 13 21.24 0.05 . 1 . . . A 142 THR CG2 . 25002 1
852 . 1 1 104 104 THR N N 15 115.40 0.05 . 1 . . . A 142 THR N . 25002 1
853 . 1 1 105 105 ASN H H 1 8.10 0.02 . 1 . . . A 143 ASN H . 25002 1
854 . 1 1 105 105 ASN HA H 1 4.64 0.02 . 1 . . . A 143 ASN HA . 25002 1
855 . 1 1 105 105 ASN HB2 H 1 2.74 0.02 . 1 . . . A 143 ASN HB2 . 25002 1
856 . 1 1 105 105 ASN HB3 H 1 2.74 0.02 . 1 . . . A 143 ASN HB3 . 25002 1
857 . 1 1 105 105 ASN C C 13 177.30 0.05 . 1 . . . A 143 ASN C . 25002 1
858 . 1 1 105 105 ASN CA C 13 54.80 0.05 . 1 . . . A 143 ASN CA . 25002 1
859 . 1 1 105 105 ASN CB C 13 40.79 0.05 . 1 . . . A 143 ASN CB . 25002 1
860 . 1 1 105 105 ASN N N 15 126.16 0.05 . 1 . . . A 143 ASN N . 25002 1
861 . 1 1 106 106 GLY H H 1 8.35 0.02 . 1 . . . A 144 GLY H . 25002 1
862 . 1 1 106 106 GLY HA2 H 1 3.96 0.02 . 1 . . . A 144 GLY HA2 . 25002 1
863 . 1 1 106 106 GLY HA3 H 1 3.96 0.02 . 1 . . . A 144 GLY HA3 . 25002 1
864 . 1 1 106 106 GLY CA C 13 45.15 0.05 . 1 . . . A 144 GLY CA . 25002 1
865 . 1 1 106 106 GLY N N 15 109.48 0.05 . 1 . . . A 144 GLY N . 25002 1
866 . 1 1 107 107 SER H H 1 8.28 0.02 . 1 . . . A 145 SER H . 25002 1
867 . 1 1 107 107 SER HA H 1 4.35 0.02 . 1 . . . A 145 SER HA . 25002 1
868 . 1 1 107 107 SER HB2 H 1 3.84 0.02 . 1 . . . A 145 SER HB2 . 25002 1
869 . 1 1 107 107 SER HB3 H 1 3.84 0.02 . 1 . . . A 145 SER HB3 . 25002 1
870 . 1 1 107 107 SER CA C 13 58.48 0.05 . 1 . . . A 145 SER CA . 25002 1
871 . 1 1 107 107 SER CB C 13 63.68 0.05 . 1 . . . A 145 SER CB . 25002 1
872 . 1 1 107 107 SER N N 15 115.86 0.05 . 1 . . . A 145 SER N . 25002 1
873 . 1 1 108 108 GLY H H 1 8.52 0.02 . 1 . . . A 146 GLY H . 25002 1
874 . 1 1 108 108 GLY HA2 H 1 3.97 0.02 . 1 . . . A 146 GLY HA2 . 25002 1
875 . 1 1 108 108 GLY HA3 H 1 3.97 0.02 . 1 . . . A 146 GLY HA3 . 25002 1
876 . 1 1 108 108 GLY C C 13 174.36 0.05 . 1 . . . A 146 GLY C . 25002 1
877 . 1 1 108 108 GLY CA C 13 45.39 0.05 . 1 . . . A 146 GLY CA . 25002 1
878 . 1 1 108 108 GLY N N 15 111.23 0.05 . 1 . . . A 146 GLY N . 25002 1
879 . 1 1 109 109 SER H H 1 8.14 0.02 . 1 . . . A 147 SER H . 25002 1
880 . 1 1 109 109 SER HA H 1 4.40 0.02 . 1 . . . A 147 SER HA . 25002 1
881 . 1 1 109 109 SER HB2 H 1 3.82 0.02 . 1 . . . A 147 SER HB2 . 25002 1
882 . 1 1 109 109 SER HB3 H 1 3.82 0.02 . 1 . . . A 147 SER HB3 . 25002 1
883 . 1 1 109 109 SER C C 13 174.57 0.05 . 1 . . . A 147 SER C . 25002 1
884 . 1 1 109 109 SER CA C 13 58.32 0.05 . 1 . . . A 147 SER CA . 25002 1
885 . 1 1 109 109 SER CB C 13 63.51 0.05 . 1 . . . A 147 SER CB . 25002 1
886 . 1 1 109 109 SER N N 15 115.52 0.05 . 1 . . . A 147 SER N . 25002 1
887 . 1 1 110 110 GLU H H 1 8.53 0.02 . 1 . . . A 148 GLU H . 25002 1
888 . 1 1 110 110 GLU HA H 1 4.19 0.02 . 1 . . . A 148 GLU HA . 25002 1
889 . 1 1 110 110 GLU HB2 H 1 1.87 0.02 . 1 . . . A 148 GLU HB2 . 25002 1
890 . 1 1 110 110 GLU HB3 H 1 1.87 0.02 . 1 . . . A 148 GLU HB3 . 25002 1
891 . 1 1 110 110 GLU HG2 H 1 2.18 0.02 . 1 . . . A 148 GLU HG2 . 25002 1
892 . 1 1 110 110 GLU HG3 H 1 2.18 0.02 . 1 . . . A 148 GLU HG3 . 25002 1
893 . 1 1 110 110 GLU C C 13 176.07 0.05 . 1 . . . A 148 GLU C . 25002 1
894 . 1 1 110 110 GLU CA C 13 56.64 0.05 . 1 . . . A 148 GLU CA . 25002 1
895 . 1 1 110 110 GLU CB C 13 29.85 0.05 . 1 . . . A 148 GLU CB . 25002 1
896 . 1 1 110 110 GLU CG C 13 36.05 0.05 . 1 . . . A 148 GLU CG . 25002 1
897 . 1 1 110 110 GLU N N 15 122.21 0.05 . 1 . . . A 148 GLU N . 25002 1
898 . 1 1 111 111 ASN H H 1 8.29 0.02 . 1 . . . A 149 ASN H . 25002 1
899 . 1 1 111 111 ASN HB2 H 1 2.80 0.02 . 1 . . . A 149 ASN HB2 . 25002 1
900 . 1 1 111 111 ASN HB3 H 1 2.80 0.02 . 1 . . . A 149 ASN HB3 . 25002 1
901 . 1 1 111 111 ASN C C 13 174.69 0.05 . 1 . . . A 149 ASN C . 25002 1
902 . 1 1 111 111 ASN CA C 13 52.93 0.05 . 1 . . . A 149 ASN CA . 25002 1
903 . 1 1 111 111 ASN CB C 13 38.59 0.05 . 1 . . . A 149 ASN CB . 25002 1
904 . 1 1 111 111 ASN N N 15 119.03 0.05 . 1 . . . A 149 ASN N . 25002 1
905 . 1 1 112 112 LEU H H 1 7.94 0.02 . 1 . . . A 150 LEU H . 25002 1
906 . 1 1 112 112 LEU HA H 1 4.15 0.02 . 1 . . . A 150 LEU HA . 25002 1
907 . 1 1 112 112 LEU HB2 H 1 1.53 0.02 . 2 . . . A 150 LEU HB2 . 25002 1
908 . 1 1 112 112 LEU HB3 H 1 1.38 0.02 . 2 . . . A 150 LEU HB3 . 25002 1
909 . 1 1 112 112 LEU HG H 1 1.56 0.02 . 1 . . . A 150 LEU HG . 25002 1
910 . 1 1 112 112 LEU HD11 H 1 0.74 0.02 . 2 . . . A 150 LEU HD11 . 25002 1
911 . 1 1 112 112 LEU HD12 H 1 0.74 0.02 . 2 . . . A 150 LEU HD12 . 25002 1
912 . 1 1 112 112 LEU HD13 H 1 0.74 0.02 . 2 . . . A 150 LEU HD13 . 25002 1
913 . 1 1 112 112 LEU HD21 H 1 0.87 0.02 . 2 . . . A 150 LEU HD21 . 25002 1
914 . 1 1 112 112 LEU HD22 H 1 0.87 0.02 . 2 . . . A 150 LEU HD22 . 25002 1
915 . 1 1 112 112 LEU HD23 H 1 0.87 0.02 . 2 . . . A 150 LEU HD23 . 25002 1
916 . 1 1 112 112 LEU C C 13 176.57 0.05 . 1 . . . A 150 LEU C . 25002 1
917 . 1 1 112 112 LEU CA C 13 55.02 0.05 . 1 . . . A 150 LEU CA . 25002 1
918 . 1 1 112 112 LEU CB C 13 42.10 0.05 . 1 . . . A 150 LEU CB . 25002 1
919 . 1 1 112 112 LEU CG C 13 26.70 0.05 . 1 . . . A 150 LEU CG . 25002 1
920 . 1 1 112 112 LEU CD1 C 13 23.11 0.05 . 2 . . . A 150 LEU CD1 . 25002 1
921 . 1 1 112 112 LEU CD2 C 13 24.77 0.05 . 2 . . . A 150 LEU CD2 . 25002 1
922 . 1 1 112 112 LEU N N 15 121.89 0.05 . 1 . . . A 150 LEU N . 25002 1
923 . 1 1 113 113 TYR H H 1 7.89 0.02 . 1 . . . A 151 TYR H . 25002 1
924 . 1 1 113 113 TYR HA H 1 4.44 0.02 . 1 . . . A 151 TYR HA . 25002 1
925 . 1 1 113 113 TYR HB2 H 1 2.81 0.02 . 1 . . . A 151 TYR HB2 . 25002 1
926 . 1 1 113 113 TYR HB3 H 1 2.81 0.02 . 1 . . . A 151 TYR HB3 . 25002 1
927 . 1 1 113 113 TYR HD1 H 1 7.00 0.02 . 1 . . . A 151 TYR HD1 . 25002 1
928 . 1 1 113 113 TYR HD2 H 1 7.00 0.02 . 1 . . . A 151 TYR HD2 . 25002 1
929 . 1 1 113 113 TYR HE1 H 1 6.73 0.02 . 1 . . . A 151 TYR HE1 . 25002 1
930 . 1 1 113 113 TYR HE2 H 1 6.73 0.02 . 1 . . . A 151 TYR HE2 . 25002 1
931 . 1 1 113 113 TYR C C 13 175.06 0.05 . 1 . . . A 151 TYR C . 25002 1
932 . 1 1 113 113 TYR CA C 13 57.41 0.05 . 1 . . . A 151 TYR CA . 25002 1
933 . 1 1 113 113 TYR CB C 13 38.54 0.05 . 1 . . . A 151 TYR CB . 25002 1
934 . 1 1 113 113 TYR N N 15 119.66 0.05 . 1 . . . A 151 TYR N . 25002 1
935 . 1 1 114 114 PHE H H 1 7.92 0.02 . 1 . . . A 152 PHE H . 25002 1
936 . 1 1 114 114 PHE HA H 1 4.53 0.02 . 1 . . . A 152 PHE HA . 25002 1
937 . 1 1 114 114 PHE HB2 H 1 3.10 0.02 . 2 . . . A 152 PHE HB2 . 25002 1
938 . 1 1 114 114 PHE HB3 H 1 2.92 0.02 . 2 . . . A 152 PHE HB3 . 25002 1
939 . 1 1 114 114 PHE HD1 H 1 7.15 0.02 . 1 . . . A 152 PHE HD1 . 25002 1
940 . 1 1 114 114 PHE HD2 H 1 7.15 0.02 . 1 . . . A 152 PHE HD2 . 25002 1
941 . 1 1 114 114 PHE C C 13 174.35 0.05 . 1 . . . A 152 PHE C . 25002 1
942 . 1 1 114 114 PHE CA C 13 57.36 0.05 . 1 . . . A 152 PHE CA . 25002 1
943 . 1 1 114 114 PHE CB C 13 39.46 0.05 . 1 . . . A 152 PHE CB . 25002 1
944 . 1 1 114 114 PHE N N 15 121.46 0.05 . 1 . . . A 152 PHE N . 25002 1
945 . 1 1 115 115 GLN H H 1 7.67 0.02 . 1 . . . A 153 GLN H . 25002 1
946 . 1 1 115 115 GLN CA C 13 57.28 0.05 . 1 . . . A 153 GLN CA . 25002 1
947 . 1 1 115 115 GLN N N 15 126.14 0.05 . 1 . . . A 153 GLN N . 25002 1
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