data_26629
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 26629
_Entry.Title
;
SPOP-MATH
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2015-08-10
_Entry.Accession_date 2015-08-10
_Entry.Last_release_date 2016-01-05
_Entry.Original_release_date 2016-01-05
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.2.6
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details 'MATH domain of SPOP'
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 Christy Grace . R. . . 26629
2 Wendy Pierce . K. . . 26629
3 Tanja Mittag . . . . 26629
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 26629
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 270 26629
'15N chemical shifts' 127 26629
'1H chemical shifts' 134 26629
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2016-07-11 2015-08-10 update BMRB 'update entry citation' 26629
1 . . 2016-01-05 2015-08-10 original author 'original release' 26629
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 26631 MATH-PUC 26629
PDB 2CR2 . 26629
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 26629
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 26475525
_Citation.Full_citation .
_Citation.Title
;
Multiple weak linear motifs enhance recruitment and processivity in SPOP-mediated substrate ubiquitination
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Mol. Biol.'
_Citation.Journal_name_full .
_Citation.Journal_volume 428
_Citation.Journal_issue 6
_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 1256
_Citation.Page_last 1271
_Citation.Year 2016
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Wendy Pierce . K. . . 26629 1
2 Christy Grace . R. . . 26629 1
3 Jihun Lee . . . . 26629 1
4 Amanda Nourse . . . . 26629 1
5 Melissa Marzahn . M. . . 26629 1
6 Edmond Watson . R. . . 26629 1
7 Anthony High . . . . 26629 1
8 Junmin Peng . . . . 26629 1
9 Brenda Schulman . . . . 26629 1
10 Tanja Mittag . . . . 26629 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
Gli3 26629 1
MATH 26629 1
SPOP 26629 1
ubiquitination 26629 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 26629
_Assembly.ID 1
_Assembly.Name MATH
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_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 MATH 1 $MATH A . yes native no no . . . 26629 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_MATH
_Entity.Sf_category entity
_Entity.Sf_framecode MATH
_Entity.Entry_ID 26629
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name MATH
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GSSGSSGKVVKFSYMWTINN
FSFCREEMGEVIKSSTFSSG
ANDKLKWCLRVNPKGLDEES
KDYLSLYLLLVSCPKSEVRA
KFKFSILNAKGEETKAMESQ
RAYRFVQGKDWGFKKFIRRD
FLLDEANGLLPDDKLTLFCE
VSVVQDSVNISGQSGPSSG
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 159
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . 26629 1
2 . SER . 26629 1
3 . SER . 26629 1
4 . GLY . 26629 1
5 . SER . 26629 1
6 . SER . 26629 1
7 . GLY . 26629 1
8 . LYS . 26629 1
9 . VAL . 26629 1
10 . VAL . 26629 1
11 . LYS . 26629 1
12 . PHE . 26629 1
13 . SER . 26629 1
14 . TYR . 26629 1
15 . MET . 26629 1
16 . TRP . 26629 1
17 . THR . 26629 1
18 . ILE . 26629 1
19 . ASN . 26629 1
20 . ASN . 26629 1
21 . PHE . 26629 1
22 . SER . 26629 1
23 . PHE . 26629 1
24 . CYS . 26629 1
25 . ARG . 26629 1
26 . GLU . 26629 1
27 . GLU . 26629 1
28 . MET . 26629 1
29 . GLY . 26629 1
30 . GLU . 26629 1
31 . VAL . 26629 1
32 . ILE . 26629 1
33 . LYS . 26629 1
34 . SER . 26629 1
35 . SER . 26629 1
36 . THR . 26629 1
37 . PHE . 26629 1
38 . SER . 26629 1
39 . SER . 26629 1
40 . GLY . 26629 1
41 . ALA . 26629 1
42 . ASN . 26629 1
43 . ASP . 26629 1
44 . LYS . 26629 1
45 . LEU . 26629 1
46 . LYS . 26629 1
47 . TRP . 26629 1
48 . CYS . 26629 1
49 . LEU . 26629 1
50 . ARG . 26629 1
51 . VAL . 26629 1
52 . ASN . 26629 1
53 . PRO . 26629 1
54 . LYS . 26629 1
55 . GLY . 26629 1
56 . LEU . 26629 1
57 . ASP . 26629 1
58 . GLU . 26629 1
59 . GLU . 26629 1
60 . SER . 26629 1
61 . LYS . 26629 1
62 . ASP . 26629 1
63 . TYR . 26629 1
64 . LEU . 26629 1
65 . SER . 26629 1
66 . LEU . 26629 1
67 . TYR . 26629 1
68 . LEU . 26629 1
69 . LEU . 26629 1
70 . LEU . 26629 1
71 . VAL . 26629 1
72 . SER . 26629 1
73 . CYS . 26629 1
74 . PRO . 26629 1
75 . LYS . 26629 1
76 . SER . 26629 1
77 . GLU . 26629 1
78 . VAL . 26629 1
79 . ARG . 26629 1
80 . ALA . 26629 1
81 . LYS . 26629 1
82 . PHE . 26629 1
83 . LYS . 26629 1
84 . PHE . 26629 1
85 . SER . 26629 1
86 . ILE . 26629 1
87 . LEU . 26629 1
88 . ASN . 26629 1
89 . ALA . 26629 1
90 . LYS . 26629 1
91 . GLY . 26629 1
92 . GLU . 26629 1
93 . GLU . 26629 1
94 . THR . 26629 1
95 . LYS . 26629 1
96 . ALA . 26629 1
97 . MET . 26629 1
98 . GLU . 26629 1
99 . SER . 26629 1
100 . GLN . 26629 1
101 . ARG . 26629 1
102 . ALA . 26629 1
103 . TYR . 26629 1
104 . ARG . 26629 1
105 . PHE . 26629 1
106 . VAL . 26629 1
107 . GLN . 26629 1
108 . GLY . 26629 1
109 . LYS . 26629 1
110 . ASP . 26629 1
111 . TRP . 26629 1
112 . GLY . 26629 1
113 . PHE . 26629 1
114 . LYS . 26629 1
115 . LYS . 26629 1
116 . PHE . 26629 1
117 . ILE . 26629 1
118 . ARG . 26629 1
119 . ARG . 26629 1
120 . ASP . 26629 1
121 . PHE . 26629 1
122 . LEU . 26629 1
123 . LEU . 26629 1
124 . ASP . 26629 1
125 . GLU . 26629 1
126 . ALA . 26629 1
127 . ASN . 26629 1
128 . GLY . 26629 1
129 . LEU . 26629 1
130 . LEU . 26629 1
131 . PRO . 26629 1
132 . ASP . 26629 1
133 . ASP . 26629 1
134 . LYS . 26629 1
135 . LEU . 26629 1
136 . THR . 26629 1
137 . LEU . 26629 1
138 . PHE . 26629 1
139 . CYS . 26629 1
140 . GLU . 26629 1
141 . VAL . 26629 1
142 . SER . 26629 1
143 . VAL . 26629 1
144 . VAL . 26629 1
145 . GLN . 26629 1
146 . ASP . 26629 1
147 . SER . 26629 1
148 . VAL . 26629 1
149 . ASN . 26629 1
150 . ILE . 26629 1
151 . SER . 26629 1
152 . GLY . 26629 1
153 . GLN . 26629 1
154 . SER . 26629 1
155 . GLY . 26629 1
156 . PRO . 26629 1
157 . SER . 26629 1
158 . SER . 26629 1
159 . GLY . 26629 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
. GLY 1 1 26629 1
. SER 2 2 26629 1
. SER 3 3 26629 1
. GLY 4 4 26629 1
. SER 5 5 26629 1
. SER 6 6 26629 1
. GLY 7 7 26629 1
. LYS 8 8 26629 1
. VAL 9 9 26629 1
. VAL 10 10 26629 1
. LYS 11 11 26629 1
. PHE 12 12 26629 1
. SER 13 13 26629 1
. TYR 14 14 26629 1
. MET 15 15 26629 1
. TRP 16 16 26629 1
. THR 17 17 26629 1
. ILE 18 18 26629 1
. ASN 19 19 26629 1
. ASN 20 20 26629 1
. PHE 21 21 26629 1
. SER 22 22 26629 1
. PHE 23 23 26629 1
. CYS 24 24 26629 1
. ARG 25 25 26629 1
. GLU 26 26 26629 1
. GLU 27 27 26629 1
. MET 28 28 26629 1
. GLY 29 29 26629 1
. GLU 30 30 26629 1
. VAL 31 31 26629 1
. ILE 32 32 26629 1
. LYS 33 33 26629 1
. SER 34 34 26629 1
. SER 35 35 26629 1
. THR 36 36 26629 1
. PHE 37 37 26629 1
. SER 38 38 26629 1
. SER 39 39 26629 1
. GLY 40 40 26629 1
. ALA 41 41 26629 1
. ASN 42 42 26629 1
. ASP 43 43 26629 1
. LYS 44 44 26629 1
. LEU 45 45 26629 1
. LYS 46 46 26629 1
. TRP 47 47 26629 1
. CYS 48 48 26629 1
. LEU 49 49 26629 1
. ARG 50 50 26629 1
. VAL 51 51 26629 1
. ASN 52 52 26629 1
. PRO 53 53 26629 1
. LYS 54 54 26629 1
. GLY 55 55 26629 1
. LEU 56 56 26629 1
. ASP 57 57 26629 1
. GLU 58 58 26629 1
. GLU 59 59 26629 1
. SER 60 60 26629 1
. LYS 61 61 26629 1
. ASP 62 62 26629 1
. TYR 63 63 26629 1
. LEU 64 64 26629 1
. SER 65 65 26629 1
. LEU 66 66 26629 1
. TYR 67 67 26629 1
. LEU 68 68 26629 1
. LEU 69 69 26629 1
. LEU 70 70 26629 1
. VAL 71 71 26629 1
. SER 72 72 26629 1
. CYS 73 73 26629 1
. PRO 74 74 26629 1
. LYS 75 75 26629 1
. SER 76 76 26629 1
. GLU 77 77 26629 1
. VAL 78 78 26629 1
. ARG 79 79 26629 1
. ALA 80 80 26629 1
. LYS 81 81 26629 1
. PHE 82 82 26629 1
. LYS 83 83 26629 1
. PHE 84 84 26629 1
. SER 85 85 26629 1
. ILE 86 86 26629 1
. LEU 87 87 26629 1
. ASN 88 88 26629 1
. ALA 89 89 26629 1
. LYS 90 90 26629 1
. GLY 91 91 26629 1
. GLU 92 92 26629 1
. GLU 93 93 26629 1
. THR 94 94 26629 1
. LYS 95 95 26629 1
. ALA 96 96 26629 1
. MET 97 97 26629 1
. GLU 98 98 26629 1
. SER 99 99 26629 1
. GLN 100 100 26629 1
. ARG 101 101 26629 1
. ALA 102 102 26629 1
. TYR 103 103 26629 1
. ARG 104 104 26629 1
. PHE 105 105 26629 1
. VAL 106 106 26629 1
. GLN 107 107 26629 1
. GLY 108 108 26629 1
. LYS 109 109 26629 1
. ASP 110 110 26629 1
. TRP 111 111 26629 1
. GLY 112 112 26629 1
. PHE 113 113 26629 1
. LYS 114 114 26629 1
. LYS 115 115 26629 1
. PHE 116 116 26629 1
. ILE 117 117 26629 1
. ARG 118 118 26629 1
. ARG 119 119 26629 1
. ASP 120 120 26629 1
. PHE 121 121 26629 1
. LEU 122 122 26629 1
. LEU 123 123 26629 1
. ASP 124 124 26629 1
. GLU 125 125 26629 1
. ALA 126 126 26629 1
. ASN 127 127 26629 1
. GLY 128 128 26629 1
. LEU 129 129 26629 1
. LEU 130 130 26629 1
. PRO 131 131 26629 1
. ASP 132 132 26629 1
. ASP 133 133 26629 1
. LYS 134 134 26629 1
. LEU 135 135 26629 1
. THR 136 136 26629 1
. LEU 137 137 26629 1
. PHE 138 138 26629 1
. CYS 139 139 26629 1
. GLU 140 140 26629 1
. VAL 141 141 26629 1
. SER 142 142 26629 1
. VAL 143 143 26629 1
. VAL 144 144 26629 1
. GLN 145 145 26629 1
. ASP 146 146 26629 1
. SER 147 147 26629 1
. VAL 148 148 26629 1
. ASN 149 149 26629 1
. ILE 150 150 26629 1
. SER 151 151 26629 1
. GLY 152 152 26629 1
. GLN 153 153 26629 1
. SER 154 154 26629 1
. GLY 155 155 26629 1
. PRO 156 156 26629 1
. SER 157 157 26629 1
. SER 158 158 26629 1
. GLY 159 159 26629 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 26629
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $MATH . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26629 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 26629
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $MATH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . BL21(DE3) . . . 26629 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 26629
_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 MATH '[U-100% 13C; U-100% 15N]' . . 1 $MATH . . 0.5 . . mM . . . . 26629 1
2 D2O '[U-100% 2H]' . . . . . . 0.1 . . mM . . . . 26629 1
3 DTT 'natural abundance' . . . . . . 5.0 . . mM . . . . 26629 1
4 'sodium chloride' 'natural abundance' . . . . . . 50.0 . . mM . . . . 26629 1
5 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 26629 1
6 'sodium phosphate' 'natural abundance' . . . . . . 10.0 . . mM . . . . 26629 1
7 'potassium phosphate' 'natural abundance' . . . . . . 1.76 . . mM . . . . 26629 1
8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26629 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 26629
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 50 . mM 26629 1
pH 6.0 . pH 26629 1
pressure 1 . atm 26629 1
temperature 298 . K 26629 1
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 26629
_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' . . 26629 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 26629 1
processing 26629 1
stop_
save_
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 26629
_Software.ID 2
_Software.Name CARA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 26629 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 26629 2
'data analysis' 26629 2
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 26629
_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 26629
_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 26629
_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 . . . 26629 1
2 spectrometer_2 Bruker Avance . 800 . . . 26629 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 26629
_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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26629 1
2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26629 1
3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26629 1
4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26629 1
5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26629 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 26629
_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.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 other . . . . 26629 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 other . . . . 26629 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26629 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 26629
_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 '2D 1H-15N HSQC' . . . 26629 1
2 '2D 1H-13C HSQC aliphatic' . . . 26629 1
4 '3D HNCACB' . . . 26629 1
5 '3D CBCA(CO)NH' . . . 26629 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 $CARA . . 26629 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 7 7 GLY H H 1 8.387 0.020 . 1 . . . . 7 GLY H . 26629 1
2 . 1 1 7 7 GLY CA C 13 45.430 0.3 . 1 . . . . 7 GLY CA . 26629 1
3 . 1 1 7 7 GLY N N 15 110.605 0.3 . 1 . . . . 7 GLY N . 26629 1
4 . 1 1 8 8 LYS H H 1 8.241 0.020 . 1 . . . . 8 LYS H . 26629 1
5 . 1 1 8 8 LYS CA C 13 56.299 0.3 . 1 . . . . 8 LYS CA . 26629 1
6 . 1 1 8 8 LYS CB C 13 33.500 0.3 . 1 . . . . 8 LYS CB . 26629 1
7 . 1 1 8 8 LYS N N 15 121.256 0.3 . 1 . . . . 8 LYS N . 26629 1
8 . 1 1 9 9 VAL H H 1 8.161 0.020 . 1 . . . . 9 VAL H . 26629 1
9 . 1 1 9 9 VAL CA C 13 60.844 0.3 . 1 . . . . 9 VAL CA . 26629 1
10 . 1 1 9 9 VAL CB C 13 34.409 0.3 . 1 . . . . 9 VAL CB . 26629 1
11 . 1 1 9 9 VAL N N 15 120.262 0.3 . 1 . . . . 9 VAL N . 26629 1
12 . 1 1 10 10 VAL H H 1 8.749 0.020 . 1 . . . . 10 VAL H . 26629 1
13 . 1 1 10 10 VAL CA C 13 62.154 0.3 . 1 . . . . 10 VAL CA . 26629 1
14 . 1 1 10 10 VAL CB C 13 33.779 0.3 . 1 . . . . 10 VAL CB . 26629 1
15 . 1 1 10 10 VAL N N 15 127.155 0.3 . 1 . . . . 10 VAL N . 26629 1
16 . 1 1 11 11 LYS H H 1 8.598 0.020 . 1 . . . . 11 LYS H . 26629 1
17 . 1 1 11 11 LYS CA C 13 54.758 0.3 . 1 . . . . 11 LYS CA . 26629 1
18 . 1 1 11 11 LYS CB C 13 35.287 0.3 . 1 . . . . 11 LYS CB . 26629 1
19 . 1 1 11 11 LYS N N 15 127.703 0.3 . 1 . . . . 11 LYS N . 26629 1
20 . 1 1 12 12 PHE H H 1 8.710 0.020 . 1 . . . . 12 PHE H . 26629 1
21 . 1 1 12 12 PHE CA C 13 56.147 0.3 . 1 . . . . 12 PHE CA . 26629 1
22 . 1 1 12 12 PHE CB C 13 40.397 0.3 . 1 . . . . 12 PHE CB . 26629 1
23 . 1 1 12 12 PHE N N 15 121.446 0.3 . 1 . . . . 12 PHE N . 26629 1
24 . 1 1 13 13 SER H H 1 8.632 0.020 . 1 . . . . 13 SER H . 26629 1
25 . 1 1 13 13 SER CA C 13 56.469 0.3 . 1 . . . . 13 SER CA . 26629 1
26 . 1 1 13 13 SER CB C 13 67.855 0.3 . 1 . . . . 13 SER CB . 26629 1
27 . 1 1 13 13 SER N N 15 113.522 0.3 . 1 . . . . 13 SER N . 26629 1
28 . 1 1 14 14 TYR H H 1 8.491 0.020 . 1 . . . . 14 TYR H . 26629 1
29 . 1 1 14 14 TYR CA C 13 57.954 0.3 . 1 . . . . 14 TYR CA . 26629 1
30 . 1 1 14 14 TYR CB C 13 42.403 0.3 . 1 . . . . 14 TYR CB . 26629 1
31 . 1 1 14 14 TYR N N 15 120.711 0.3 . 1 . . . . 14 TYR N . 26629 1
32 . 1 1 15 15 MET H H 1 7.183 0.020 . 1 . . . . 15 MET H . 26629 1
33 . 1 1 15 15 MET CA C 13 53.895 0.3 . 1 . . . . 15 MET CA . 26629 1
34 . 1 1 15 15 MET CB C 13 36.078 0.3 . 1 . . . . 15 MET CB . 26629 1
35 . 1 1 15 15 MET N N 15 126.308 0.3 . 1 . . . . 15 MET N . 26629 1
36 . 1 1 16 16 TRP H H 1 9.145 0.020 . 1 . . . . 16 TRP H . 26629 1
37 . 1 1 16 16 TRP CA C 13 53.487 0.3 . 1 . . . . 16 TRP CA . 26629 1
38 . 1 1 16 16 TRP CB C 13 33.061 0.3 . 1 . . . . 16 TRP CB . 26629 1
39 . 1 1 16 16 TRP N N 15 127.487 0.3 . 1 . . . . 16 TRP N . 26629 1
40 . 1 1 17 17 THR H H 1 8.642 0.020 . 1 . . . . 17 THR H . 26629 1
41 . 1 1 17 17 THR CA C 13 61.705 0.3 . 1 . . . . 17 THR CA . 26629 1
42 . 1 1 17 17 THR CB C 13 70.449 0.3 . 1 . . . . 17 THR CB . 26629 1
43 . 1 1 17 17 THR N N 15 124.324 0.3 . 1 . . . . 17 THR N . 26629 1
44 . 1 1 18 18 ILE H H 1 9.338 0.020 . 1 . . . . 18 ILE H . 26629 1
45 . 1 1 18 18 ILE CA C 13 60.904 0.3 . 1 . . . . 18 ILE CA . 26629 1
46 . 1 1 18 18 ILE CB C 13 39.594 0.3 . 1 . . . . 18 ILE CB . 26629 1
47 . 1 1 18 18 ILE N N 15 129.661 0.3 . 1 . . . . 18 ILE N . 26629 1
48 . 1 1 19 19 ASN H H 1 8.384 0.020 . 1 . . . . 19 ASN H . 26629 1
49 . 1 1 19 19 ASN CA C 13 53.262 0.3 . 1 . . . . 19 ASN CA . 26629 1
50 . 1 1 19 19 ASN CB C 13 40.006 0.3 . 1 . . . . 19 ASN CB . 26629 1
51 . 1 1 19 19 ASN N N 15 124.580 0.3 . 1 . . . . 19 ASN N . 26629 1
52 . 1 1 20 20 ASN H H 1 8.806 0.020 . 1 . . . . 20 ASN H . 26629 1
53 . 1 1 20 20 ASN CA C 13 53.801 0.3 . 1 . . . . 20 ASN CA . 26629 1
54 . 1 1 20 20 ASN CB C 13 37.527 0.3 . 1 . . . . 20 ASN CB . 26629 1
55 . 1 1 20 20 ASN N N 15 118.620 0.3 . 1 . . . . 20 ASN N . 26629 1
56 . 1 1 21 21 PHE H H 1 9.074 0.020 . 1 . . . . 21 PHE H . 26629 1
57 . 1 1 21 21 PHE CA C 13 62.736 0.3 . 1 . . . . 21 PHE CA . 26629 1
58 . 1 1 21 21 PHE CB C 13 39.653 0.3 . 1 . . . . 21 PHE CB . 26629 1
59 . 1 1 21 21 PHE N N 15 120.312 0.3 . 1 . . . . 21 PHE N . 26629 1
60 . 1 1 22 22 SER H H 1 10.284 0.020 . 1 . . . . 22 SER H . 26629 1
61 . 1 1 22 22 SER CA C 13 61.863 0.3 . 1 . . . . 22 SER CA . 26629 1
62 . 1 1 22 22 SER CB C 13 62.190 0.3 . 1 . . . . 22 SER CB . 26629 1
63 . 1 1 22 22 SER N N 15 116.430 0.3 . 1 . . . . 22 SER N . 26629 1
64 . 1 1 23 23 PHE H H 1 7.880 0.020 . 1 . . . . 23 PHE H . 26629 1
65 . 1 1 23 23 PHE CA C 13 57.955 0.3 . 1 . . . . 23 PHE CA . 26629 1
66 . 1 1 23 23 PHE CB C 13 39.414 0.3 . 1 . . . . 23 PHE CB . 26629 1
67 . 1 1 23 23 PHE N N 15 119.943 0.3 . 1 . . . . 23 PHE N . 26629 1
68 . 1 1 24 24 CYS H H 1 7.611 0.020 . 1 . . . . 24 CYS H . 26629 1
69 . 1 1 24 24 CYS CA C 13 61.771 0.3 . 1 . . . . 24 CYS CA . 26629 1
70 . 1 1 24 24 CYS CB C 13 26.109 0.3 . 1 . . . . 24 CYS CB . 26629 1
71 . 1 1 24 24 CYS N N 15 120.227 0.3 . 1 . . . . 24 CYS N . 26629 1
72 . 1 1 25 25 ARG H H 1 8.607 0.020 . 1 . . . . 25 ARG H . 26629 1
73 . 1 1 25 25 ARG CA C 13 56.487 0.3 . 1 . . . . 25 ARG CA . 26629 1
74 . 1 1 25 25 ARG CB C 13 30.333 0.3 . 1 . . . . 25 ARG CB . 26629 1
75 . 1 1 25 25 ARG N N 15 125.097 0.3 . 1 . . . . 25 ARG N . 26629 1
76 . 1 1 26 26 GLU H H 1 8.897 0.020 . 1 . . . . 26 GLU H . 26629 1
77 . 1 1 26 26 GLU CA C 13 59.662 0.3 . 1 . . . . 26 GLU CA . 26629 1
78 . 1 1 26 26 GLU CB C 13 29.618 0.3 . 1 . . . . 26 GLU CB . 26629 1
79 . 1 1 27 27 GLU H H 1 8.511 0.020 . 1 . . . . 27 GLU H . 26629 1
80 . 1 1 27 27 GLU CA C 13 55.063 0.3 . 1 . . . . 27 GLU CA . 26629 1
81 . 1 1 27 27 GLU CB C 13 31.428 0.3 . 1 . . . . 27 GLU CB . 26629 1
82 . 1 1 27 27 GLU N N 15 120.820 0.3 . 1 . . . . 27 GLU N . 26629 1
83 . 1 1 28 28 MET H H 1 8.796 0.020 . 1 . . . . 28 MET H . 26629 1
84 . 1 1 28 28 MET CA C 13 58.640 0.3 . 1 . . . . 28 MET CA . 26629 1
85 . 1 1 28 28 MET CB C 13 33.277 0.3 . 1 . . . . 28 MET CB . 26629 1
86 . 1 1 28 28 MET N N 15 121.327 0.3 . 1 . . . . 28 MET N . 26629 1
87 . 1 1 29 29 GLY H H 1 8.531 0.020 . 1 . . . . 29 GLY H . 26629 1
88 . 1 1 29 29 GLY CA C 13 45.387 0.3 . 1 . . . . 29 GLY CA . 26629 1
89 . 1 1 29 29 GLY N N 15 111.058 0.3 . 1 . . . . 29 GLY N . 26629 1
90 . 1 1 30 30 GLU H H 1 8.126 0.020 . 1 . . . . 30 GLU H . 26629 1
91 . 1 1 30 30 GLU CA C 13 56.864 0.3 . 1 . . . . 30 GLU CA . 26629 1
92 . 1 1 30 30 GLU CB C 13 30.507 0.3 . 1 . . . . 30 GLU CB . 26629 1
93 . 1 1 30 30 GLU N N 15 119.548 0.3 . 1 . . . . 30 GLU N . 26629 1
94 . 1 1 31 31 VAL H H 1 8.371 0.020 . 1 . . . . 31 VAL H . 26629 1
95 . 1 1 31 31 VAL CA C 13 60.276 0.3 . 1 . . . . 31 VAL CA . 26629 1
96 . 1 1 31 31 VAL CB C 13 35.924 0.3 . 1 . . . . 31 VAL CB . 26629 1
97 . 1 1 31 31 VAL N N 15 118.644 0.3 . 1 . . . . 31 VAL N . 26629 1
98 . 1 1 32 32 ILE H H 1 9.025 0.020 . 1 . . . . 32 ILE H . 26629 1
99 . 1 1 32 32 ILE CA C 13 61.391 0.3 . 1 . . . . 32 ILE CA . 26629 1
100 . 1 1 32 32 ILE CB C 13 40.530 0.3 . 1 . . . . 32 ILE CB . 26629 1
101 . 1 1 32 32 ILE N N 15 124.774 0.3 . 1 . . . . 32 ILE N . 26629 1
102 . 1 1 33 33 LYS H H 1 8.892 0.020 . 1 . . . . 33 LYS H . 26629 1
103 . 1 1 33 33 LYS CA C 13 54.672 0.3 . 1 . . . . 33 LYS CA . 26629 1
104 . 1 1 33 33 LYS CB C 13 35.688 0.3 . 1 . . . . 33 LYS CB . 26629 1
105 . 1 1 33 33 LYS N N 15 126.507 0.3 . 1 . . . . 33 LYS N . 26629 1
106 . 1 1 34 34 SER H H 1 8.530 0.020 . 1 . . . . 34 SER H . 26629 1
107 . 1 1 34 34 SER CA C 13 58.320 0.3 . 1 . . . . 34 SER CA . 26629 1
108 . 1 1 34 34 SER CB C 13 64.374 0.3 . 1 . . . . 34 SER CB . 26629 1
109 . 1 1 34 34 SER N N 15 121.777 0.3 . 1 . . . . 34 SER N . 26629 1
110 . 1 1 35 35 SER H H 1 8.028 0.020 . 1 . . . . 35 SER H . 26629 1
111 . 1 1 35 35 SER CA C 13 58.971 0.3 . 1 . . . . 35 SER CA . 26629 1
112 . 1 1 35 35 SER CB C 13 63.819 0.3 . 1 . . . . 35 SER CB . 26629 1
113 . 1 1 35 35 SER N N 15 113.238 0.3 . 1 . . . . 35 SER N . 26629 1
114 . 1 1 36 36 THR H H 1 8.258 0.020 . 1 . . . . 36 THR H . 26629 1
115 . 1 1 36 36 THR CA C 13 61.313 0.3 . 1 . . . . 36 THR CA . 26629 1
116 . 1 1 36 36 THR CB C 13 70.549 0.3 . 1 . . . . 36 THR CB . 26629 1
117 . 1 1 36 36 THR N N 15 114.036 0.3 . 1 . . . . 36 THR N . 26629 1
118 . 1 1 37 37 PHE H H 1 8.956 0.020 . 1 . . . . 37 PHE H . 26629 1
119 . 1 1 37 37 PHE CA C 13 55.533 0.3 . 1 . . . . 37 PHE CA . 26629 1
120 . 1 1 37 37 PHE CB C 13 42.070 0.3 . 1 . . . . 37 PHE CB . 26629 1
121 . 1 1 37 37 PHE N N 15 120.003 0.3 . 1 . . . . 37 PHE N . 26629 1
122 . 1 1 38 38 SER H H 1 8.398 0.020 . 1 . . . . 38 SER H . 26629 1
123 . 1 1 38 38 SER CA C 13 57.220 0.3 . 1 . . . . 38 SER CA . 26629 1
124 . 1 1 38 38 SER CB C 13 65.938 0.3 . 1 . . . . 38 SER CB . 26629 1
125 . 1 1 38 38 SER N N 15 113.272 0.3 . 1 . . . . 38 SER N . 26629 1
126 . 1 1 39 39 SER H H 1 8.720 0.020 . 1 . . . . 39 SER H . 26629 1
127 . 1 1 39 39 SER CA C 13 58.887 0.3 . 1 . . . . 39 SER CA . 26629 1
128 . 1 1 39 39 SER CB C 13 63.741 0.3 . 1 . . . . 39 SER CB . 26629 1
129 . 1 1 39 39 SER N N 15 115.771 0.3 . 1 . . . . 39 SER N . 26629 1
130 . 1 1 40 40 GLY H H 1 7.892 0.020 . 1 . . . . 40 GLY H . 26629 1
131 . 1 1 40 40 GLY CA C 13 45.168 0.3 . 1 . . . . 40 GLY CA . 26629 1
132 . 1 1 40 40 GLY N N 15 109.642 0.3 . 1 . . . . 40 GLY N . 26629 1
133 . 1 1 41 41 ALA H H 1 8.514 0.020 . 1 . . . . 41 ALA H . 26629 1
134 . 1 1 41 41 ALA CA C 13 53.393 0.3 . 1 . . . . 41 ALA CA . 26629 1
135 . 1 1 41 41 ALA CB C 13 18.971 0.3 . 1 . . . . 41 ALA CB . 26629 1
136 . 1 1 41 41 ALA N N 15 123.061 0.3 . 1 . . . . 41 ALA N . 26629 1
137 . 1 1 42 42 ASN H H 1 8.378 0.020 . 1 . . . . 42 ASN H . 26629 1
138 . 1 1 42 42 ASN CA C 13 52.921 0.3 . 1 . . . . 42 ASN CA . 26629 1
139 . 1 1 42 42 ASN CB C 13 38.051 0.3 . 1 . . . . 42 ASN CB . 26629 1
140 . 1 1 42 42 ASN N N 15 114.972 0.3 . 1 . . . . 42 ASN N . 26629 1
141 . 1 1 43 43 ASP H H 1 7.677 0.020 . 1 . . . . 43 ASP H . 26629 1
142 . 1 1 43 43 ASP CA C 13 54.198 0.3 . 1 . . . . 43 ASP CA . 26629 1
143 . 1 1 43 43 ASP CB C 13 41.416 0.3 . 1 . . . . 43 ASP CB . 26629 1
144 . 1 1 43 43 ASP N N 15 120.351 0.3 . 1 . . . . 43 ASP N . 26629 1
145 . 1 1 44 44 LYS H H 1 8.383 0.020 . 1 . . . . 44 LYS H . 26629 1
146 . 1 1 44 44 LYS CA C 13 56.682 0.3 . 1 . . . . 44 LYS CA . 26629 1
147 . 1 1 44 44 LYS CB C 13 31.956 0.3 . 1 . . . . 44 LYS CB . 26629 1
148 . 1 1 45 45 LEU H H 1 7.950 0.020 . 1 . . . . 45 LEU H . 26629 1
149 . 1 1 45 45 LEU CA C 13 54.859 0.3 . 1 . . . . 45 LEU CA . 26629 1
150 . 1 1 45 45 LEU CB C 13 41.782 0.3 . 1 . . . . 45 LEU CB . 26629 1
151 . 1 1 45 45 LEU N N 15 121.227 0.3 . 1 . . . . 45 LEU N . 26629 1
152 . 1 1 46 46 LYS H H 1 7.602 0.020 . 1 . . . . 46 LYS H . 26629 1
153 . 1 1 46 46 LYS CA C 13 54.598 0.3 . 1 . . . . 46 LYS CA . 26629 1
154 . 1 1 46 46 LYS CB C 13 35.906 0.3 . 1 . . . . 46 LYS CB . 26629 1
155 . 1 1 46 46 LYS N N 15 119.453 0.3 . 1 . . . . 46 LYS N . 26629 1
156 . 1 1 47 47 TRP H H 1 8.510 0.020 . 1 . . . . 47 TRP H . 26629 1
157 . 1 1 47 47 TRP CA C 13 55.148 0.3 . 1 . . . . 47 TRP CA . 26629 1
158 . 1 1 47 47 TRP CB C 13 32.521 0.3 . 1 . . . . 47 TRP CB . 26629 1
159 . 1 1 47 47 TRP N N 15 123.721 0.3 . 1 . . . . 47 TRP N . 26629 1
160 . 1 1 48 48 CYS H H 1 9.046 0.020 . 1 . . . . 48 CYS H . 26629 1
161 . 1 1 48 48 CYS CA C 13 57.984 0.3 . 1 . . . . 48 CYS CA . 26629 1
162 . 1 1 48 48 CYS CB C 13 31.074 0.3 . 1 . . . . 48 CYS CB . 26629 1
163 . 1 1 48 48 CYS N N 15 113.293 0.3 . 1 . . . . 48 CYS N . 26629 1
164 . 1 1 49 49 LEU H H 1 8.647 0.020 . 1 . . . . 49 LEU H . 26629 1
165 . 1 1 49 49 LEU CA C 13 52.954 0.3 . 1 . . . . 49 LEU CA . 26629 1
166 . 1 1 49 49 LEU CB C 13 45.063 0.3 . 1 . . . . 49 LEU CB . 26629 1
167 . 1 1 49 49 LEU N N 15 120.035 0.3 . 1 . . . . 49 LEU N . 26629 1
168 . 1 1 50 50 ARG H H 1 9.042 0.020 . 1 . . . . 50 ARG H . 26629 1
169 . 1 1 50 50 ARG CA C 13 55.075 0.3 . 1 . . . . 50 ARG CA . 26629 1
170 . 1 1 50 50 ARG CB C 13 34.588 0.3 . 1 . . . . 50 ARG CB . 26629 1
171 . 1 1 50 50 ARG N N 15 119.703 0.3 . 1 . . . . 50 ARG N . 26629 1
172 . 1 1 51 51 VAL H H 1 9.494 0.020 . 1 . . . . 51 VAL H . 26629 1
173 . 1 1 51 51 VAL CA C 13 58.730 0.3 . 1 . . . . 51 VAL CA . 26629 1
174 . 1 1 51 51 VAL CB C 13 36.265 0.3 . 1 . . . . 51 VAL CB . 26629 1
175 . 1 1 51 51 VAL N N 15 123.801 0.3 . 1 . . . . 51 VAL N . 26629 1
176 . 1 1 52 52 ASN H H 1 8.827 0.020 . 1 . . . . 52 ASN H . 26629 1
177 . 1 1 52 52 ASN CA C 13 50.132 0.3 . 1 . . . . 52 ASN CA . 26629 1
178 . 1 1 52 52 ASN CB C 13 39.709 0.3 . 1 . . . . 52 ASN CB . 26629 1
179 . 1 1 52 52 ASN N N 15 124.564 0.3 . 1 . . . . 52 ASN N . 26629 1
180 . 1 1 53 53 PRO CA C 13 65.297 0.3 . 1 . . . . 53 PRO CA . 26629 1
181 . 1 1 53 53 PRO CB C 13 32.799 0.3 . 1 . . . . 53 PRO CB . 26629 1
182 . 1 1 54 54 LYS H H 1 8.462 0.020 . 1 . . . . 54 LYS H . 26629 1
183 . 1 1 54 54 LYS CA C 13 55.107 0.3 . 1 . . . . 54 LYS CA . 26629 1
184 . 1 1 54 54 LYS CB C 13 33.942 0.3 . 1 . . . . 54 LYS CB . 26629 1
185 . 1 1 55 55 GLY H H 1 7.419 0.020 . 1 . . . . 55 GLY H . 26629 1
186 . 1 1 55 55 GLY CA C 13 45.604 0.3 . 1 . . . . 55 GLY CA . 26629 1
187 . 1 1 56 56 LEU H H 1 7.788 0.020 . 1 . . . . 56 LEU H . 26629 1
188 . 1 1 56 56 LEU CA C 13 56.350 0.3 . 1 . . . . 56 LEU CA . 26629 1
189 . 1 1 56 56 LEU CB C 13 44.366 0.3 . 1 . . . . 56 LEU CB . 26629 1
190 . 1 1 56 56 LEU N N 15 119.955 0.3 . 1 . . . . 56 LEU N . 26629 1
191 . 1 1 57 57 ASP H H 1 7.741 0.020 . 1 . . . . 57 ASP H . 26629 1
192 . 1 1 57 57 ASP CA C 13 52.408 0.3 . 1 . . . . 57 ASP CA . 26629 1
193 . 1 1 57 57 ASP CB C 13 41.564 0.3 . 1 . . . . 57 ASP CB . 26629 1
194 . 1 1 57 57 ASP N N 15 115.092 0.3 . 1 . . . . 57 ASP N . 26629 1
195 . 1 1 58 58 GLU H H 1 8.530 0.020 . 1 . . . . 58 GLU H . 26629 1
196 . 1 1 58 58 GLU CA C 13 60.183 0.3 . 1 . . . . 58 GLU CA . 26629 1
197 . 1 1 58 58 GLU CB C 13 29.357 0.3 . 1 . . . . 58 GLU CB . 26629 1
198 . 1 1 58 58 GLU N N 15 118.719 0.3 . 1 . . . . 58 GLU N . 26629 1
199 . 1 1 59 59 GLU H H 1 8.129 0.020 . 1 . . . . 59 GLU H . 26629 1
200 . 1 1 59 59 GLU CA C 13 58.346 0.3 . 1 . . . . 59 GLU CA . 26629 1
201 . 1 1 59 59 GLU CB C 13 29.283 0.3 . 1 . . . . 59 GLU CB . 26629 1
202 . 1 1 59 59 GLU N N 15 117.205 0.3 . 1 . . . . 59 GLU N . 26629 1
203 . 1 1 60 60 SER H H 1 8.122 0.020 . 1 . . . . 60 SER H . 26629 1
204 . 1 1 60 60 SER CA C 13 57.443 0.3 . 1 . . . . 60 SER CA . 26629 1
205 . 1 1 60 60 SER CB C 13 65.340 0.3 . 1 . . . . 60 SER CB . 26629 1
206 . 1 1 60 60 SER N N 15 111.626 0.3 . 1 . . . . 60 SER N . 26629 1
207 . 1 1 61 61 LYS H H 1 7.376 0.020 . 1 . . . . 61 LYS H . 26629 1
208 . 1 1 61 61 LYS CA C 13 58.663 0.3 . 1 . . . . 61 LYS CA . 26629 1
209 . 1 1 61 61 LYS CB C 13 32.251 0.3 . 1 . . . . 61 LYS CB . 26629 1
210 . 1 1 61 61 LYS N N 15 122.303 0.3 . 1 . . . . 61 LYS N . 26629 1
211 . 1 1 62 62 ASP H H 1 8.656 0.020 . 1 . . . . 62 ASP H . 26629 1
212 . 1 1 62 62 ASP CA C 13 54.780 0.3 . 1 . . . . 62 ASP CA . 26629 1
213 . 1 1 62 62 ASP CB C 13 40.628 0.3 . 1 . . . . 62 ASP CB . 26629 1
214 . 1 1 62 62 ASP N N 15 117.350 0.3 . 1 . . . . 62 ASP N . 26629 1
215 . 1 1 63 63 TYR H H 1 8.807 0.020 . 1 . . . . 63 TYR H . 26629 1
216 . 1 1 63 63 TYR CA C 13 58.262 0.3 . 1 . . . . 63 TYR CA . 26629 1
217 . 1 1 63 63 TYR CB C 13 41.756 0.3 . 1 . . . . 63 TYR CB . 26629 1
218 . 1 1 63 63 TYR N N 15 121.541 0.3 . 1 . . . . 63 TYR N . 26629 1
219 . 1 1 64 64 LEU H H 1 8.422 0.020 . 1 . . . . 64 LEU H . 26629 1
220 . 1 1 64 64 LEU CA C 13 55.238 0.3 . 1 . . . . 64 LEU CA . 26629 1
221 . 1 1 64 64 LEU CB C 13 44.437 0.3 . 1 . . . . 64 LEU CB . 26629 1
222 . 1 1 64 64 LEU N N 15 116.985 0.3 . 1 . . . . 64 LEU N . 26629 1
223 . 1 1 65 65 SER H H 1 8.156 0.020 . 1 . . . . 65 SER H . 26629 1
224 . 1 1 65 65 SER CA C 13 57.252 0.3 . 1 . . . . 65 SER CA . 26629 1
225 . 1 1 65 65 SER CB C 13 64.288 0.3 . 1 . . . . 65 SER CB . 26629 1
226 . 1 1 65 65 SER N N 15 121.058 0.3 . 1 . . . . 65 SER N . 26629 1
227 . 1 1 66 66 LEU H H 1 7.946 0.020 . 1 . . . . 66 LEU H . 26629 1
228 . 1 1 66 66 LEU CA C 13 54.446 0.3 . 1 . . . . 66 LEU CA . 26629 1
229 . 1 1 66 66 LEU CB C 13 46.663 0.3 . 1 . . . . 66 LEU CB . 26629 1
230 . 1 1 66 66 LEU N N 15 126.287 0.3 . 1 . . . . 66 LEU N . 26629 1
231 . 1 1 67 67 TYR H H 1 8.948 0.020 . 1 . . . . 67 TYR H . 26629 1
232 . 1 1 67 67 TYR CA C 13 57.300 0.3 . 1 . . . . 67 TYR CA . 26629 1
233 . 1 1 67 67 TYR CB C 13 43.810 0.3 . 1 . . . . 67 TYR CB . 26629 1
234 . 1 1 67 67 TYR N N 15 122.685 0.3 . 1 . . . . 67 TYR N . 26629 1
235 . 1 1 68 68 LEU H H 1 9.037 0.020 . 1 . . . . 68 LEU H . 26629 1
236 . 1 1 68 68 LEU CA C 13 53.900 0.3 . 1 . . . . 68 LEU CA . 26629 1
237 . 1 1 68 68 LEU CB C 13 45.188 0.3 . 1 . . . . 68 LEU CB . 26629 1
238 . 1 1 68 68 LEU N N 15 123.096 0.3 . 1 . . . . 68 LEU N . 26629 1
239 . 1 1 69 69 LEU H H 1 9.287 0.020 . 1 . . . . 69 LEU H . 26629 1
240 . 1 1 69 69 LEU CA C 13 53.907 0.3 . 1 . . . . 69 LEU CA . 26629 1
241 . 1 1 69 69 LEU CB C 13 45.772 0.3 . 1 . . . . 69 LEU CB . 26629 1
242 . 1 1 69 69 LEU N N 15 127.919 0.3 . 1 . . . . 69 LEU N . 26629 1
243 . 1 1 70 70 LEU H H 1 7.839 0.020 . 1 . . . . 70 LEU H . 26629 1
244 . 1 1 70 70 LEU CA C 13 53.939 0.3 . 1 . . . . 70 LEU CA . 26629 1
245 . 1 1 70 70 LEU CB C 13 40.800 0.3 . 1 . . . . 70 LEU CB . 26629 1
246 . 1 1 70 70 LEU N N 15 125.780 0.3 . 1 . . . . 70 LEU N . 26629 1
247 . 1 1 71 71 VAL H H 1 8.478 0.020 . 1 . . . . 71 VAL H . 26629 1
248 . 1 1 71 71 VAL CA C 13 64.282 0.3 . 1 . . . . 71 VAL CA . 26629 1
249 . 1 1 71 71 VAL CB C 13 32.723 0.3 . 1 . . . . 71 VAL CB . 26629 1
250 . 1 1 71 71 VAL N N 15 129.094 0.3 . 1 . . . . 71 VAL N . 26629 1
251 . 1 1 72 72 SER H H 1 7.308 0.020 . 1 . . . . 72 SER H . 26629 1
252 . 1 1 72 72 SER CA C 13 56.878 0.3 . 1 . . . . 72 SER CA . 26629 1
253 . 1 1 72 72 SER CB C 13 64.913 0.3 . 1 . . . . 72 SER CB . 26629 1
254 . 1 1 72 72 SER N N 15 111.223 0.3 . 1 . . . . 72 SER N . 26629 1
255 . 1 1 73 73 CYS H H 1 8.682 0.020 . 1 . . . . 73 CYS H . 26629 1
256 . 1 1 73 73 CYS CA C 13 55.177 0.3 . 1 . . . . 73 CYS CA . 26629 1
257 . 1 1 73 73 CYS CB C 13 29.217 0.3 . 1 . . . . 73 CYS CB . 26629 1
258 . 1 1 73 73 CYS N N 15 121.997 0.3 . 1 . . . . 73 CYS N . 26629 1
259 . 1 1 74 74 PRO CA C 13 63.418 0.3 . 1 . . . . 74 PRO CA . 26629 1
260 . 1 1 74 74 PRO CB C 13 31.701 0.3 . 1 . . . . 74 PRO CB . 26629 1
261 . 1 1 75 75 LYS H H 1 7.639 0.020 . 1 . . . . 75 LYS H . 26629 1
262 . 1 1 75 75 LYS CA C 13 55.267 0.3 . 1 . . . . 75 LYS CA . 26629 1
263 . 1 1 75 75 LYS CB C 13 33.265 0.3 . 1 . . . . 75 LYS CB . 26629 1
264 . 1 1 75 75 LYS N N 15 119.220 0.3 . 1 . . . . 75 LYS N . 26629 1
265 . 1 1 76 76 SER H H 1 8.290 0.020 . 1 . . . . 76 SER H . 26629 1
266 . 1 1 76 76 SER CA C 13 60.752 0.3 . 1 . . . . 76 SER CA . 26629 1
267 . 1 1 76 76 SER CB C 13 63.574 0.3 . 1 . . . . 76 SER CB . 26629 1
268 . 1 1 77 77 GLU H H 1 7.654 0.020 . 1 . . . . 77 GLU H . 26629 1
269 . 1 1 77 77 GLU CA C 13 55.205 0.3 . 1 . . . . 77 GLU CA . 26629 1
270 . 1 1 77 77 GLU CB C 13 32.491 0.3 . 1 . . . . 77 GLU CB . 26629 1
271 . 1 1 77 77 GLU N N 15 115.408 0.3 . 1 . . . . 77 GLU N . 26629 1
272 . 1 1 78 78 VAL H H 1 8.798 0.020 . 1 . . . . 78 VAL H . 26629 1
273 . 1 1 78 78 VAL CA C 13 60.994 0.3 . 1 . . . . 78 VAL CA . 26629 1
274 . 1 1 78 78 VAL CB C 13 36.133 0.3 . 1 . . . . 78 VAL CB . 26629 1
275 . 1 1 78 78 VAL N N 15 118.307 0.3 . 1 . . . . 78 VAL N . 26629 1
276 . 1 1 79 79 ARG H H 1 9.207 0.020 . 1 . . . . 79 ARG H . 26629 1
277 . 1 1 79 79 ARG CA C 13 54.486 0.3 . 1 . . . . 79 ARG CA . 26629 1
278 . 1 1 79 79 ARG CB C 13 31.685 0.3 . 1 . . . . 79 ARG CB . 26629 1
279 . 1 1 79 79 ARG N N 15 125.625 0.3 . 1 . . . . 79 ARG N . 26629 1
280 . 1 1 80 80 ALA H H 1 9.312 0.020 . 1 . . . . 80 ALA H . 26629 1
281 . 1 1 80 80 ALA CA C 13 51.476 0.3 . 1 . . . . 80 ALA CA . 26629 1
282 . 1 1 80 80 ALA CB C 13 23.120 0.3 . 1 . . . . 80 ALA CB . 26629 1
283 . 1 1 80 80 ALA N N 15 123.306 0.3 . 1 . . . . 80 ALA N . 26629 1
284 . 1 1 81 81 LYS H H 1 8.756 0.020 . 1 . . . . 81 LYS H . 26629 1
285 . 1 1 81 81 LYS CA C 13 54.476 0.3 . 1 . . . . 81 LYS CA . 26629 1
286 . 1 1 81 81 LYS CB C 13 35.068 0.3 . 1 . . . . 81 LYS CB . 26629 1
287 . 1 1 81 81 LYS N N 15 121.196 0.3 . 1 . . . . 81 LYS N . 26629 1
288 . 1 1 82 82 PHE H H 1 7.658 0.020 . 1 . . . . 82 PHE H . 26629 1
289 . 1 1 82 82 PHE CA C 13 54.993 0.3 . 1 . . . . 82 PHE CA . 26629 1
290 . 1 1 82 82 PHE CB C 13 41.834 0.3 . 1 . . . . 82 PHE CB . 26629 1
291 . 1 1 82 82 PHE N N 15 113.562 0.3 . 1 . . . . 82 PHE N . 26629 1
292 . 1 1 83 83 LYS H H 1 8.595 0.020 . 1 . . . . 83 LYS H . 26629 1
293 . 1 1 83 83 LYS CA C 13 54.901 0.3 . 1 . . . . 83 LYS CA . 26629 1
294 . 1 1 83 83 LYS CB C 13 36.774 0.3 . 1 . . . . 83 LYS CB . 26629 1
295 . 1 1 83 83 LYS N N 15 121.460 0.3 . 1 . . . . 83 LYS N . 26629 1
296 . 1 1 84 84 PHE H H 1 9.024 0.020 . 1 . . . . 84 PHE H . 26629 1
297 . 1 1 84 84 PHE CA C 13 53.504 0.3 . 1 . . . . 84 PHE CA . 26629 1
298 . 1 1 84 84 PHE CB C 13 44.439 0.3 . 1 . . . . 84 PHE CB . 26629 1
299 . 1 1 84 84 PHE N N 15 124.284 0.3 . 1 . . . . 84 PHE N . 26629 1
300 . 1 1 85 85 SER H H 1 9.507 0.020 . 1 . . . . 85 SER H . 26629 1
301 . 1 1 85 85 SER CA C 13 57.787 0.3 . 1 . . . . 85 SER CA . 26629 1
302 . 1 1 85 85 SER CB C 13 65.972 0.3 . 1 . . . . 85 SER CB . 26629 1
303 . 1 1 85 85 SER N N 15 114.449 0.3 . 1 . . . . 85 SER N . 26629 1
304 . 1 1 86 86 ILE H H 1 8.696 0.020 . 1 . . . . 86 ILE H . 26629 1
305 . 1 1 86 86 ILE CA C 13 60.217 0.3 . 1 . . . . 86 ILE CA . 26629 1
306 . 1 1 86 86 ILE CB C 13 41.015 0.3 . 1 . . . . 86 ILE CB . 26629 1
307 . 1 1 86 86 ILE N N 15 119.015 0.3 . 1 . . . . 86 ILE N . 26629 1
308 . 1 1 87 87 LEU H H 1 8.214 0.020 . 1 . . . . 87 LEU H . 26629 1
309 . 1 1 87 87 LEU CA C 13 53.114 0.3 . 1 . . . . 87 LEU CA . 26629 1
310 . 1 1 87 87 LEU CB C 13 42.480 0.3 . 1 . . . . 87 LEU CB . 26629 1
311 . 1 1 87 87 LEU N N 15 126.056 0.3 . 1 . . . . 87 LEU N . 26629 1
312 . 1 1 88 88 ASN H H 1 8.445 0.020 . 1 . . . . 88 ASN H . 26629 1
313 . 1 1 88 88 ASN CA C 13 50.741 0.3 . 1 . . . . 88 ASN CA . 26629 1
314 . 1 1 88 88 ASN CB C 13 39.060 0.3 . 1 . . . . 88 ASN CB . 26629 1
315 . 1 1 88 88 ASN N N 15 120.922 0.3 . 1 . . . . 88 ASN N . 26629 1
316 . 1 1 89 89 ALA H H 1 8.667 0.020 . 1 . . . . 89 ALA H . 26629 1
317 . 1 1 89 89 ALA CA C 13 54.901 0.3 . 1 . . . . 89 ALA CA . 26629 1
318 . 1 1 89 89 ALA CB C 13 18.789 0.3 . 1 . . . . 89 ALA CB . 26629 1
319 . 1 1 89 89 ALA N N 15 119.680 0.3 . 1 . . . . 89 ALA N . 26629 1
320 . 1 1 90 90 LYS H H 1 7.454 0.020 . 1 . . . . 90 LYS H . 26629 1
321 . 1 1 90 90 LYS CA C 13 55.691 0.3 . 1 . . . . 90 LYS CA . 26629 1
322 . 1 1 90 90 LYS CB C 13 32.726 0.3 . 1 . . . . 90 LYS CB . 26629 1
323 . 1 1 90 90 LYS N N 15 115.385 0.3 . 1 . . . . 90 LYS N . 26629 1
324 . 1 1 91 91 GLY H H 1 8.339 0.020 . 1 . . . . 91 GLY H . 26629 1
325 . 1 1 91 91 GLY CA C 13 45.387 0.3 . 1 . . . . 91 GLY CA . 26629 1
326 . 1 1 91 91 GLY N N 15 108.524 0.3 . 1 . . . . 91 GLY N . 26629 1
327 . 1 1 92 92 GLU H H 1 7.780 0.020 . 1 . . . . 92 GLU H . 26629 1
328 . 1 1 92 92 GLU CA C 13 54.355 0.3 . 1 . . . . 92 GLU CA . 26629 1
329 . 1 1 92 92 GLU CB C 13 30.672 0.3 . 1 . . . . 92 GLU CB . 26629 1
330 . 1 1 92 92 GLU N N 15 119.227 0.3 . 1 . . . . 92 GLU N . 26629 1
331 . 1 1 93 93 GLU H H 1 8.557 0.020 . 1 . . . . 93 GLU H . 26629 1
332 . 1 1 93 93 GLU CA C 13 57.180 0.3 . 1 . . . . 93 GLU CA . 26629 1
333 . 1 1 93 93 GLU CB C 13 30.993 0.3 . 1 . . . . 93 GLU CB . 26629 1
334 . 1 1 93 93 GLU N N 15 121.950 0.3 . 1 . . . . 93 GLU N . 26629 1
335 . 1 1 94 94 THR H H 1 9.108 0.020 . 1 . . . . 94 THR H . 26629 1
336 . 1 1 94 94 THR CA C 13 61.249 0.3 . 1 . . . . 94 THR CA . 26629 1
337 . 1 1 94 94 THR CB C 13 70.579 0.3 . 1 . . . . 94 THR CB . 26629 1
338 . 1 1 94 94 THR N N 15 120.292 0.3 . 1 . . . . 94 THR N . 26629 1
339 . 1 1 95 95 LYS H H 1 8.305 0.020 . 1 . . . . 95 LYS H . 26629 1
340 . 1 1 95 95 LYS CA C 13 54.841 0.3 . 1 . . . . 95 LYS CA . 26629 1
341 . 1 1 95 95 LYS CB C 13 29.356 0.3 . 1 . . . . 95 LYS CB . 26629 1
342 . 1 1 95 95 LYS N N 15 119.129 0.3 . 1 . . . . 95 LYS N . 26629 1
343 . 1 1 96 96 ALA H H 1 7.939 0.020 . 1 . . . . 96 ALA H . 26629 1
344 . 1 1 96 96 ALA CA C 13 51.865 0.3 . 1 . . . . 96 ALA CA . 26629 1
345 . 1 1 96 96 ALA CB C 13 21.171 0.3 . 1 . . . . 96 ALA CB . 26629 1
346 . 1 1 96 96 ALA N N 15 118.788 0.3 . 1 . . . . 96 ALA N . 26629 1
347 . 1 1 97 97 MET H H 1 9.314 0.020 . 1 . . . . 97 MET H . 26629 1
348 . 1 1 97 97 MET CA C 13 56.359 0.3 . 1 . . . . 97 MET CA . 26629 1
349 . 1 1 97 97 MET CB C 13 37.163 0.3 . 1 . . . . 97 MET CB . 26629 1
350 . 1 1 97 97 MET N N 15 121.205 0.3 . 1 . . . . 97 MET N . 26629 1
351 . 1 1 98 98 GLU H H 1 8.638 0.020 . 1 . . . . 98 GLU H . 26629 1
352 . 1 1 98 98 GLU CA C 13 53.955 0.3 . 1 . . . . 98 GLU CA . 26629 1
353 . 1 1 98 98 GLU CB C 13 33.495 0.3 . 1 . . . . 98 GLU CB . 26629 1
354 . 1 1 98 98 GLU N N 15 122.283 0.3 . 1 . . . . 98 GLU N . 26629 1
355 . 1 1 100 100 GLN CA C 13 57.357 0.3 . 1 . . . . 100 GLN CA . 26629 1
356 . 1 1 100 100 GLN CB C 13 28.526 0.3 . 1 . . . . 100 GLN CB . 26629 1
357 . 1 1 101 101 ARG H H 1 8.442 0.020 . 1 . . . . 101 ARG H . 26629 1
358 . 1 1 101 101 ARG CA C 13 53.324 0.3 . 1 . . . . 101 ARG CA . 26629 1
359 . 1 1 101 101 ARG CB C 13 32.008 0.3 . 1 . . . . 101 ARG CB . 26629 1
360 . 1 1 102 102 ALA CA C 13 51.145 0.3 . 1 . . . . 102 ALA CA . 26629 1
361 . 1 1 102 102 ALA CB C 13 18.444 0.3 . 1 . . . . 102 ALA CB . 26629 1
362 . 1 1 103 103 TYR H H 1 8.470 0.020 . 1 . . . . 103 TYR H . 26629 1
363 . 1 1 103 103 TYR CA C 13 57.482 0.3 . 1 . . . . 103 TYR CA . 26629 1
364 . 1 1 103 103 TYR CB C 13 40.754 0.3 . 1 . . . . 103 TYR CB . 26629 1
365 . 1 1 104 104 ARG H H 1 8.603 0.020 . 1 . . . . 104 ARG H . 26629 1
366 . 1 1 104 104 ARG CA C 13 56.238 0.3 . 1 . . . . 104 ARG CA . 26629 1
367 . 1 1 104 104 ARG CB C 13 30.691 0.3 . 1 . . . . 104 ARG CB . 26629 1
368 . 1 1 104 104 ARG N N 15 120.067 0.3 . 1 . . . . 104 ARG N . 26629 1
369 . 1 1 105 105 PHE H H 1 10.287 0.020 . 1 . . . . 105 PHE H . 26629 1
370 . 1 1 105 105 PHE CA C 13 58.878 0.3 . 1 . . . . 105 PHE CA . 26629 1
371 . 1 1 105 105 PHE CB C 13 42.701 0.3 . 1 . . . . 105 PHE CB . 26629 1
372 . 1 1 105 105 PHE N N 15 130.373 0.3 . 1 . . . . 105 PHE N . 26629 1
373 . 1 1 106 106 VAL H H 1 6.716 0.020 . 1 . . . . 106 VAL H . 26629 1
374 . 1 1 106 106 VAL CA C 13 58.849 0.3 . 1 . . . . 106 VAL CA . 26629 1
375 . 1 1 106 106 VAL CB C 13 35.061 0.3 . 1 . . . . 106 VAL CB . 26629 1
376 . 1 1 106 106 VAL N N 15 111.035 0.3 . 1 . . . . 106 VAL N . 26629 1
377 . 1 1 107 107 GLN H H 1 8.988 0.020 . 1 . . . . 107 GLN H . 26629 1
378 . 1 1 107 107 GLN CA C 13 59.609 0.3 . 1 . . . . 107 GLN CA . 26629 1
379 . 1 1 107 107 GLN CB C 13 28.506 0.3 . 1 . . . . 107 GLN CB . 26629 1
380 . 1 1 107 107 GLN N N 15 121.985 0.3 . 1 . . . . 107 GLN N . 26629 1
381 . 1 1 108 108 GLY H H 1 9.265 0.020 . 1 . . . . 108 GLY H . 26629 1
382 . 1 1 108 108 GLY CA C 13 45.275 0.3 . 1 . . . . 108 GLY CA . 26629 1
383 . 1 1 108 108 GLY N N 15 114.828 0.3 . 1 . . . . 108 GLY N . 26629 1
384 . 1 1 109 109 LYS H H 1 8.452 0.020 . 1 . . . . 109 LYS H . 26629 1
385 . 1 1 109 109 LYS CA C 13 54.899 0.3 . 1 . . . . 109 LYS CA . 26629 1
386 . 1 1 109 109 LYS CB C 13 34.977 0.3 . 1 . . . . 109 LYS CB . 26629 1
387 . 1 1 109 109 LYS N N 15 122.556 0.3 . 1 . . . . 109 LYS N . 26629 1
388 . 1 1 110 110 ASP H H 1 8.144 0.020 . 1 . . . . 110 ASP H . 26629 1
389 . 1 1 110 110 ASP CA C 13 50.686 0.3 . 1 . . . . 110 ASP CA . 26629 1
390 . 1 1 110 110 ASP CB C 13 44.425 0.3 . 1 . . . . 110 ASP CB . 26629 1
391 . 1 1 110 110 ASP N N 15 120.911 0.3 . 1 . . . . 110 ASP N . 26629 1
392 . 1 1 111 111 TRP H H 1 8.560 0.020 . 1 . . . . 111 TRP H . 26629 1
393 . 1 1 111 111 TRP CA C 13 56.025 0.3 . 1 . . . . 111 TRP CA . 26629 1
394 . 1 1 111 111 TRP CB C 13 34.947 0.3 . 1 . . . . 111 TRP CB . 26629 1
395 . 1 1 111 111 TRP N N 15 117.138 0.3 . 1 . . . . 111 TRP N . 26629 1
396 . 1 1 112 112 GLY H H 1 8.423 0.020 . 1 . . . . 112 GLY H . 26629 1
397 . 1 1 112 112 GLY CA C 13 46.619 0.3 . 1 . . . . 112 GLY CA . 26629 1
398 . 1 1 112 112 GLY N N 15 107.424 0.3 . 1 . . . . 112 GLY N . 26629 1
399 . 1 1 113 113 PHE H H 1 8.373 0.020 . 1 . . . . 113 PHE H . 26629 1
400 . 1 1 113 113 PHE CA C 13 55.761 0.3 . 1 . . . . 113 PHE CA . 26629 1
401 . 1 1 113 113 PHE CB C 13 41.864 0.3 . 1 . . . . 113 PHE CB . 26629 1
402 . 1 1 113 113 PHE N N 15 120.055 0.3 . 1 . . . . 113 PHE N . 26629 1
403 . 1 1 114 114 LYS H H 1 8.757 0.020 . 1 . . . . 114 LYS H . 26629 1
404 . 1 1 114 114 LYS CA C 13 59.133 0.3 . 1 . . . . 114 LYS CA . 26629 1
405 . 1 1 114 114 LYS CB C 13 32.738 0.3 . 1 . . . . 114 LYS CB . 26629 1
406 . 1 1 114 114 LYS N N 15 125.872 0.3 . 1 . . . . 114 LYS N . 26629 1
407 . 1 1 115 115 LYS H H 1 8.513 0.020 . 1 . . . . 115 LYS H . 26629 1
408 . 1 1 115 115 LYS CA C 13 53.428 0.3 . 1 . . . . 115 LYS CA . 26629 1
409 . 1 1 115 115 LYS CB C 13 31.084 0.3 . 1 . . . . 115 LYS CB . 26629 1
410 . 1 1 115 115 LYS N N 15 118.613 0.3 . 1 . . . . 115 LYS N . 26629 1
411 . 1 1 116 116 PHE H H 1 7.795 0.020 . 1 . . . . 116 PHE H . 26629 1
412 . 1 1 116 116 PHE CA C 13 60.926 0.3 . 1 . . . . 116 PHE CA . 26629 1
413 . 1 1 116 116 PHE CB C 13 39.199 0.3 . 1 . . . . 116 PHE CB . 26629 1
414 . 1 1 116 116 PHE N N 15 121.286 0.3 . 1 . . . . 116 PHE N . 26629 1
415 . 1 1 117 117 ILE H H 1 7.541 0.020 . 1 . . . . 117 ILE H . 26629 1
416 . 1 1 117 117 ILE CA C 13 59.436 0.3 . 1 . . . . 117 ILE CA . 26629 1
417 . 1 1 117 117 ILE CB C 13 40.623 0.3 . 1 . . . . 117 ILE CB . 26629 1
418 . 1 1 117 117 ILE N N 15 111.272 0.3 . 1 . . . . 117 ILE N . 26629 1
419 . 1 1 118 118 ARG H H 1 8.563 0.020 . 1 . . . . 118 ARG H . 26629 1
420 . 1 1 118 118 ARG CA C 13 57.519 0.3 . 1 . . . . 118 ARG CA . 26629 1
421 . 1 1 118 118 ARG CB C 13 31.144 0.3 . 1 . . . . 118 ARG CB . 26629 1
422 . 1 1 118 118 ARG N N 15 128.636 0.3 . 1 . . . . 118 ARG N . 26629 1
423 . 1 1 119 119 ARG H H 1 8.842 0.020 . 1 . . . . 119 ARG H . 26629 1
424 . 1 1 119 119 ARG CA C 13 60.534 0.3 . 1 . . . . 119 ARG CA . 26629 1
425 . 1 1 119 119 ARG CB C 13 30.189 0.3 . 1 . . . . 119 ARG CB . 26629 1
426 . 1 1 119 119 ARG N N 15 125.395 0.3 . 1 . . . . 119 ARG N . 26629 1
427 . 1 1 120 120 ASP H H 1 9.243 0.020 . 1 . . . . 120 ASP H . 26629 1
428 . 1 1 120 120 ASP CA C 13 56.409 0.3 . 1 . . . . 120 ASP CA . 26629 1
429 . 1 1 120 120 ASP CB C 13 38.617 0.3 . 1 . . . . 120 ASP CB . 26629 1
430 . 1 1 120 120 ASP N N 15 117.057 0.3 . 1 . . . . 120 ASP N . 26629 1
431 . 1 1 121 121 PHE H H 1 7.395 0.020 . 1 . . . . 121 PHE H . 26629 1
432 . 1 1 121 121 PHE CA C 13 60.429 0.3 . 1 . . . . 121 PHE CA . 26629 1
433 . 1 1 121 121 PHE CB C 13 40.297 0.3 . 1 . . . . 121 PHE CB . 26629 1
434 . 1 1 121 121 PHE N N 15 122.575 0.3 . 1 . . . . 121 PHE N . 26629 1
435 . 1 1 122 122 LEU H H 1 7.705 0.020 . 1 . . . . 122 LEU H . 26629 1
436 . 1 1 122 122 LEU CA C 13 57.969 0.3 . 1 . . . . 122 LEU CA . 26629 1
437 . 1 1 122 122 LEU CB C 13 43.032 0.3 . 1 . . . . 122 LEU CB . 26629 1
438 . 1 1 122 122 LEU N N 15 118.845 0.3 . 1 . . . . 122 LEU N . 26629 1
439 . 1 1 123 123 LEU H H 1 8.021 0.020 . 1 . . . . 123 LEU H . 26629 1
440 . 1 1 123 123 LEU CA C 13 55.764 0.3 . 1 . . . . 123 LEU CA . 26629 1
441 . 1 1 123 123 LEU CB C 13 42.014 0.3 . 1 . . . . 123 LEU CB . 26629 1
442 . 1 1 123 123 LEU N N 15 113.257 0.3 . 1 . . . . 123 LEU N . 26629 1
443 . 1 1 124 124 ASP H H 1 6.864 0.020 . 1 . . . . 124 ASP H . 26629 1
444 . 1 1 124 124 ASP CA C 13 53.838 0.3 . 1 . . . . 124 ASP CA . 26629 1
445 . 1 1 124 124 ASP CB C 13 40.212 0.3 . 1 . . . . 124 ASP CB . 26629 1
446 . 1 1 124 124 ASP N N 15 119.057 0.3 . 1 . . . . 124 ASP N . 26629 1
447 . 1 1 125 125 GLU H H 1 9.345 0.020 . 1 . . . . 125 GLU H . 26629 1
448 . 1 1 125 125 GLU CA C 13 59.092 0.3 . 1 . . . . 125 GLU CA . 26629 1
449 . 1 1 125 125 GLU CB C 13 29.523 0.3 . 1 . . . . 125 GLU CB . 26629 1
450 . 1 1 125 125 GLU N N 15 132.380 0.3 . 1 . . . . 125 GLU N . 26629 1
451 . 1 1 126 126 ALA H H 1 8.429 0.020 . 1 . . . . 126 ALA H . 26629 1
452 . 1 1 126 126 ALA CA C 13 54.341 0.3 . 1 . . . . 126 ALA CA . 26629 1
453 . 1 1 126 126 ALA CB C 13 18.595 0.3 . 1 . . . . 126 ALA CB . 26629 1
454 . 1 1 126 126 ALA N N 15 121.807 0.3 . 1 . . . . 126 ALA N . 26629 1
455 . 1 1 127 127 ASN H H 1 7.713 0.020 . 1 . . . . 127 ASN H . 26629 1
456 . 1 1 127 127 ASN CA C 13 53.746 0.3 . 1 . . . . 127 ASN CA . 26629 1
457 . 1 1 127 127 ASN CB C 13 38.072 0.3 . 1 . . . . 127 ASN CB . 26629 1
458 . 1 1 127 127 ASN N N 15 111.497 0.3 . 1 . . . . 127 ASN N . 26629 1
459 . 1 1 128 128 GLY H H 1 7.548 0.020 . 1 . . . . 128 GLY H . 26629 1
460 . 1 1 128 128 GLY CA C 13 47.641 0.3 . 1 . . . . 128 GLY CA . 26629 1
461 . 1 1 128 128 GLY N N 15 106.696 0.3 . 1 . . . . 128 GLY N . 26629 1
462 . 1 1 129 129 LEU H H 1 8.545 0.020 . 1 . . . . 129 LEU H . 26629 1
463 . 1 1 129 129 LEU CA C 13 54.780 0.3 . 1 . . . . 129 LEU CA . 26629 1
464 . 1 1 129 129 LEU CB C 13 42.493 0.3 . 1 . . . . 129 LEU CB . 26629 1
465 . 1 1 129 129 LEU N N 15 115.947 0.3 . 1 . . . . 129 LEU N . 26629 1
466 . 1 1 130 130 LEU H H 1 8.008 0.020 . 1 . . . . 130 LEU H . 26629 1
467 . 1 1 130 130 LEU CA C 13 51.196 0.3 . 1 . . . . 130 LEU CA . 26629 1
468 . 1 1 130 130 LEU CB C 13 43.845 0.3 . 1 . . . . 130 LEU CB . 26629 1
469 . 1 1 130 130 LEU N N 15 117.957 0.3 . 1 . . . . 130 LEU N . 26629 1
470 . 1 1 131 131 PRO CA C 13 63.648 0.3 . 1 . . . . 131 PRO CA . 26629 1
471 . 1 1 131 131 PRO CB C 13 30.920 0.3 . 1 . . . . 131 PRO CB . 26629 1
472 . 1 1 132 132 ASP H H 1 9.206 0.020 . 1 . . . . 132 ASP H . 26629 1
473 . 1 1 132 132 ASP CA C 13 55.839 0.3 . 1 . . . . 132 ASP CA . 26629 1
474 . 1 1 132 132 ASP CB C 13 40.297 0.3 . 1 . . . . 132 ASP CB . 26629 1
475 . 1 1 132 132 ASP N N 15 122.337 0.3 . 1 . . . . 132 ASP N . 26629 1
476 . 1 1 133 133 ASP H H 1 8.434 0.020 . 1 . . . . 133 ASP H . 26629 1
477 . 1 1 133 133 ASP CA C 13 55.326 0.3 . 1 . . . . 133 ASP CA . 26629 1
478 . 1 1 133 133 ASP CB C 13 41.206 0.3 . 1 . . . . 133 ASP CB . 26629 1
479 . 1 1 133 133 ASP N N 15 115.462 0.3 . 1 . . . . 133 ASP N . 26629 1
480 . 1 1 134 134 LYS H H 1 7.300 0.020 . 1 . . . . 134 LYS H . 26629 1
481 . 1 1 134 134 LYS CA C 13 55.034 0.3 . 1 . . . . 134 LYS CA . 26629 1
482 . 1 1 134 134 LYS CB C 13 34.513 0.3 . 1 . . . . 134 LYS CB . 26629 1
483 . 1 1 134 134 LYS N N 15 117.795 0.3 . 1 . . . . 134 LYS N . 26629 1
484 . 1 1 135 135 LEU H H 1 8.316 0.020 . 1 . . . . 135 LEU H . 26629 1
485 . 1 1 135 135 LEU CA C 13 52.602 0.3 . 1 . . . . 135 LEU CA . 26629 1
486 . 1 1 135 135 LEU CB C 13 44.125 0.3 . 1 . . . . 135 LEU CB . 26629 1
487 . 1 1 135 135 LEU N N 15 125.403 0.3 . 1 . . . . 135 LEU N . 26629 1
488 . 1 1 136 136 THR H H 1 9.896 0.020 . 1 . . . . 136 THR H . 26629 1
489 . 1 1 136 136 THR CA C 13 62.560 0.3 . 1 . . . . 136 THR CA . 26629 1
490 . 1 1 136 136 THR CB C 13 68.964 0.3 . 1 . . . . 136 THR CB . 26629 1
491 . 1 1 136 136 THR N N 15 125.524 0.3 . 1 . . . . 136 THR N . 26629 1
492 . 1 1 137 137 LEU H H 1 9.099 0.020 . 1 . . . . 137 LEU H . 26629 1
493 . 1 1 137 137 LEU CA C 13 52.654 0.3 . 1 . . . . 137 LEU CA . 26629 1
494 . 1 1 137 137 LEU CB C 13 45.338 0.3 . 1 . . . . 137 LEU CB . 26629 1
495 . 1 1 137 137 LEU N N 15 126.799 0.3 . 1 . . . . 137 LEU N . 26629 1
496 . 1 1 138 138 PHE H H 1 9.174 0.020 . 1 . . . . 138 PHE H . 26629 1
497 . 1 1 138 138 PHE CA C 13 55.904 0.3 . 1 . . . . 138 PHE CA . 26629 1
498 . 1 1 138 138 PHE CB C 13 42.314 0.3 . 1 . . . . 138 PHE CB . 26629 1
499 . 1 1 138 138 PHE N N 15 122.329 0.3 . 1 . . . . 138 PHE N . 26629 1
500 . 1 1 139 139 CYS H H 1 8.552 0.020 . 1 . . . . 139 CYS H . 26629 1
501 . 1 1 139 139 CYS CA C 13 55.717 0.3 . 1 . . . . 139 CYS CA . 26629 1
502 . 1 1 139 139 CYS CB C 13 30.782 0.3 . 1 . . . . 139 CYS CB . 26629 1
503 . 1 1 139 139 CYS N N 15 125.895 0.3 . 1 . . . . 139 CYS N . 26629 1
504 . 1 1 140 140 GLU H H 1 8.720 0.020 . 1 . . . . 140 GLU H . 26629 1
505 . 1 1 140 140 GLU CA C 13 54.745 0.3 . 1 . . . . 140 GLU CA . 26629 1
506 . 1 1 140 140 GLU CB C 13 33.878 0.3 . 1 . . . . 140 GLU CB . 26629 1
507 . 1 1 140 140 GLU N N 15 126.972 0.3 . 1 . . . . 140 GLU N . 26629 1
508 . 1 1 141 141 VAL H H 1 8.607 0.020 . 1 . . . . 141 VAL H . 26629 1
509 . 1 1 141 141 VAL CA C 13 60.945 0.3 . 1 . . . . 141 VAL CA . 26629 1
510 . 1 1 141 141 VAL CB C 13 33.415 0.3 . 1 . . . . 141 VAL CB . 26629 1
511 . 1 1 141 141 VAL N N 15 128.140 0.3 . 1 . . . . 141 VAL N . 26629 1
512 . 1 1 142 142 SER H H 1 8.446 0.020 . 1 . . . . 142 SER H . 26629 1
513 . 1 1 142 142 SER CA C 13 56.307 0.3 . 1 . . . . 142 SER CA . 26629 1
514 . 1 1 142 142 SER CB C 13 64.231 0.3 . 1 . . . . 142 SER CB . 26629 1
515 . 1 1 142 142 SER N N 15 120.512 0.3 . 1 . . . . 142 SER N . 26629 1
516 . 1 1 143 143 VAL H H 1 9.263 0.020 . 1 . . . . 143 VAL H . 26629 1
517 . 1 1 143 143 VAL CA C 13 62.399 0.3 . 1 . . . . 143 VAL CA . 26629 1
518 . 1 1 143 143 VAL CB C 13 33.480 0.3 . 1 . . . . 143 VAL CB . 26629 1
519 . 1 1 143 143 VAL N N 15 126.893 0.3 . 1 . . . . 143 VAL N . 26629 1
520 . 1 1 144 144 VAL H H 1 8.627 0.020 . 1 . . . . 144 VAL H . 26629 1
521 . 1 1 144 144 VAL CA C 13 62.394 0.3 . 1 . . . . 144 VAL CA . 26629 1
522 . 1 1 144 144 VAL CB C 13 32.562 0.3 . 1 . . . . 144 VAL CB . 26629 1
523 . 1 1 144 144 VAL N N 15 127.710 0.3 . 1 . . . . 144 VAL N . 26629 1
524 . 1 1 145 145 GLN H H 1 8.591 0.020 . 1 . . . . 145 GLN H . 26629 1
525 . 1 1 145 145 GLN CA C 13 55.478 0.3 . 1 . . . . 145 GLN CA . 26629 1
526 . 1 1 145 145 GLN CB C 13 30.179 0.3 . 1 . . . . 145 GLN CB . 26629 1
527 . 1 1 145 145 GLN N N 15 126.345 0.3 . 1 . . . . 145 GLN N . 26629 1
528 . 1 1 146 146 ASP H H 1 8.081 0.020 . 1 . . . . 146 ASP H . 26629 1
529 . 1 1 146 146 ASP CA C 13 55.880 0.3 . 1 . . . . 146 ASP CA . 26629 1
530 . 1 1 146 146 ASP CB C 13 41.725 0.3 . 1 . . . . 146 ASP CB . 26629 1
531 . 1 1 146 146 ASP N N 15 128.180 0.3 . 1 . . . . 146 ASP N . 26629 1
stop_
save_