data_7124
save_study_list
_Study_list.Sf_category study_list
_Study_list.Sf_framecode study_list
_Study_list.Entry_ID 7124
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
. . 'Structure analysis' . 7124 1
stop_
save_
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 7124
_Entry.Title
;
Solution Structure of MID1 B-box2 domain: A defining domain in TRIM/RBCC proteins reveals possible versatility in zinc-coordination
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2006-05-19
_Entry.Accession_date 2006-05-19
_Entry.Last_release_date 2006-11-13
_Entry.Original_release_date 2006-11-13
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Jessica Matts . A.B. . 7124
2 Kieran Short . M. . 7124
3 Brandi Simmons . N. . 7124
4 Suryaparkash Singireddy . . . 7124
5 Julie Zou . . . 7124
6 Timothy Cox . C. . 7124
7 Michael Massiah . A. . 7124
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
. . 'Oklahoma State University' . 7124
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 7124
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 124 7124
'15N chemical shifts' 47 7124
'1H chemical shifts' 282 7124
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2006-11-13 2006-05-19 original author . 7124
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2DQ5 'BMRB Entry Tracking System' 7124
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 7124
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 16529770
_Citation.Full_citation .
_Citation.Title 'Solution structure of the RBCC/TRIM B-box1 domain of human MID1: B-box with a RING.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Mol. Biol.'
_Citation.Journal_name_full .
_Citation.Journal_volume 358
_Citation.Journal_issue 2
_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 532
_Citation.Page_last 545
_Citation.Year 2006
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Michael Massiah . A. . 7124 1
2 Brandi Simmons . N. . 7124 1
3 Kieran Short . M. . 7124 1
4 Timothy Cox . C. . 7124 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
B-box2 7124 1
Midline-1 7124 1
structure 7124 1
TRIM 7124 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 7124
_Assembly.ID 1
_Assembly.Name 'B-box2 monomer'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 1
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites no
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'free and other bound'
_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 'B-box2 monomer' 1 $MID1_B-box2_domain . . yes native no no . . . 7124 1
2 'ZINC (II) ION, 1' 2 $ZN . . no native no no diamagnetic 'structural zinc' . 7124 1
stop_
loop_
_Assembly_bio_function.Biological_function
_Assembly_bio_function.Entry_ID
_Assembly_bio_function.Assembly_ID
'E3 ligase' 7124 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_MID1_B-box2_domain
_Entity.Sf_category entity
_Entity.Sf_framecode MID1_B-box2_domain
_Entity.Entry_ID 7124
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name B-box2
_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
;
SHIRGLMCLEHEDEKVNMYC
VTDDQLICALCKLVGRHRDH
QVAALSE
;
_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 47
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'free and other bound'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
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 no PDB 2DQ5 . "Solution Structure Of The Mid1 B Box2 Chc(DC)C2H2 ZINC- Binding Domain: Insights Into An Evolutionary Conserved Ring Fold" . . . . . 100.00 47 100.00 100.00 9.89e-25 . . . . 7124 1
2 no PDB 2JUN . "Structure Of The Mid1 Tandem B-Boxes Reveals An Interaction Reminiscent Of Intermolecular Ring Heterodimers" . . . . . 100.00 101 100.00 100.00 1.35e-24 . . . . 7124 1
3 no DBJ BAE22636 . "unnamed protein product [Mus musculus]" . . . . . 100.00 260 100.00 100.00 6.08e-24 . . . . 7124 1
4 no DBJ BAF83904 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 9.74e-23 . . . . 7124 1
5 no DBJ BAG37559 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 552 100.00 100.00 1.74e-23 . . . . 7124 1
6 no EMBL CAA74018 . "putative transcription factor XPRF [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1
7 no EMBL CAA75113 . "midline 1 protein [Mus musculus]" . . . . . 100.00 680 100.00 100.00 4.82e-23 . . . . 7124 1
8 no GB AAB83986 . "ring finger protein [Mus musculus]" . . . . . 100.00 667 97.87 97.87 1.18e-21 . . . . 7124 1
9 no GB AAB99951 . "ring finger protein [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1
10 no GB AAC32998 . "midline 1 cerebellar isoform 1 [Homo sapiens]" . . . . . 100.00 484 100.00 100.00 1.16e-23 . . . . 7124 1
11 no GB AAC32999 . "midline 1 cerebellar isoform 2 [Homo sapiens]" . . . . . 100.00 228 100.00 100.00 5.70e-24 . . . . 7124 1
12 no GB AAC33000 . "midline 1 fetal kidney isoform 1 [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1
13 no REF NP_000372 . "E3 ubiquitin-protein ligase Midline-1 isoform 1 [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1
14 no REF NP_001092094 . "E3 ubiquitin-protein ligase Midline-1 isoform 1 [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1
15 no REF NP_001179751 . "E3 ubiquitin-protein ligase Midline-1 [Bos taurus]" . . . . . 100.00 667 100.00 100.00 1.19e-22 . . . . 7124 1
16 no REF NP_001180206 . "E3 ubiquitin-protein ligase Midline-1 isoform 1 [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1
17 no REF NP_001180207 . "E3 ubiquitin-protein ligase Midline-1 isoform 3 [Homo sapiens]" . . . . . 100.00 540 100.00 100.00 1.67e-23 . . . . 7124 1
18 no SP O15344 . "RecName: Full=E3 ubiquitin-protein ligase Midline-1; AltName: Full=Midin; AltName: Full=Putative transcription factor XPRF; Alt" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1
19 no SP O70583 . "RecName: Full=E3 ubiquitin-protein ligase Midline-1; AltName: Full=Midin; AltName: Full=RING finger protein Midline-1; AltName:" . . . . . 100.00 680 100.00 100.00 4.63e-23 . . . . 7124 1
20 no SP P82457 . "RecName: Full=E3 ubiquitin-protein ligase Midline-1; AltName: Full=RING finger protein Midline-1; AltName: Full=Tripartite moti" . . . . . 100.00 667 100.00 100.00 1.08e-22 . . . . 7124 1
21 no SP P82458 . "RecName: Full=E3 ubiquitin-protein ligase Midline-1; AltName: Full=RING finger protein Midline-1; AltName: Full=Tripartite moti" . . . . . 100.00 667 100.00 100.00 9.74e-23 . . . . 7124 1
22 no TPG DAA12559 . "TPA: midline 1 (Opitz/BBB syndrome) isoform 1 [Bos taurus]" . . . . . 100.00 667 100.00 100.00 1.19e-22 . . . . 7124 1
23 no TPG DAA12560 . "TPA: midline 1 (Opitz/BBB syndrome) isoform 2 [Bos taurus]" . . . . . 100.00 667 100.00 100.00 1.19e-22 . . . . 7124 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
'E3 ligase' 7124 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
BBOX2 . 7124 1
stop_
loop_
_Entity_keyword.Keyword
_Entity_keyword.Entry_ID
_Entity_keyword.Entity_ID
'E3 ligase' 7124 1
'RING like' 7124 1
TRIM/RBCC 7124 1
'Zinc finger' 7124 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
1 168 SER . 7124 1
2 169 HIS . 7124 1
3 170 ILE . 7124 1
4 171 ARG . 7124 1
5 172 GLY . 7124 1
6 173 LEU . 7124 1
7 174 MET . 7124 1
8 175 CYS . 7124 1
9 176 LEU . 7124 1
10 177 GLU . 7124 1
11 178 HIS . 7124 1
12 179 GLU . 7124 1
13 180 ASP . 7124 1
14 181 GLU . 7124 1
15 182 LYS . 7124 1
16 183 VAL . 7124 1
17 184 ASN . 7124 1
18 185 MET . 7124 1
19 186 TYR . 7124 1
20 187 CYS . 7124 1
21 188 VAL . 7124 1
22 189 THR . 7124 1
23 190 ASP . 7124 1
24 191 ASP . 7124 1
25 192 GLN . 7124 1
26 193 LEU . 7124 1
27 194 ILE . 7124 1
28 195 CYS . 7124 1
29 196 ALA . 7124 1
30 197 LEU . 7124 1
31 198 CYS . 7124 1
32 199 LYS . 7124 1
33 200 LEU . 7124 1
34 201 VAL . 7124 1
35 202 GLY . 7124 1
36 203 ARG . 7124 1
37 204 HIS . 7124 1
38 205 ARG . 7124 1
39 206 ASP . 7124 1
40 207 HIS . 7124 1
41 208 GLN . 7124 1
42 209 VAL . 7124 1
43 210 ALA . 7124 1
44 211 ALA . 7124 1
45 212 LEU . 7124 1
46 213 SER . 7124 1
47 214 GLU . 7124 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
. SER 1 1 7124 1
. HIS 2 2 7124 1
. ILE 3 3 7124 1
. ARG 4 4 7124 1
. GLY 5 5 7124 1
. LEU 6 6 7124 1
. MET 7 7 7124 1
. CYS 8 8 7124 1
. LEU 9 9 7124 1
. GLU 10 10 7124 1
. HIS 11 11 7124 1
. GLU 12 12 7124 1
. ASP 13 13 7124 1
. GLU 14 14 7124 1
. LYS 15 15 7124 1
. VAL 16 16 7124 1
. ASN 17 17 7124 1
. MET 18 18 7124 1
. TYR 19 19 7124 1
. CYS 20 20 7124 1
. VAL 21 21 7124 1
. THR 22 22 7124 1
. ASP 23 23 7124 1
. ASP 24 24 7124 1
. GLN 25 25 7124 1
. LEU 26 26 7124 1
. ILE 27 27 7124 1
. CYS 28 28 7124 1
. ALA 29 29 7124 1
. LEU 30 30 7124 1
. CYS 31 31 7124 1
. LYS 32 32 7124 1
. LEU 33 33 7124 1
. VAL 34 34 7124 1
. GLY 35 35 7124 1
. ARG 36 36 7124 1
. HIS 37 37 7124 1
. ARG 38 38 7124 1
. ASP 39 39 7124 1
. HIS 40 40 7124 1
. GLN 41 41 7124 1
. VAL 42 42 7124 1
. ALA 43 43 7124 1
. ALA 44 44 7124 1
. LEU 45 45 7124 1
. SER 46 46 7124 1
. GLU 47 47 7124 1
stop_
save_
save_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode ZN
_Entity.Entry_ID 7124
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name ZN
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_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 .
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID ZN
_Entity.Nonpolymer_comp_label $chem_comp_ZN
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state .
_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 . ZN . 7124 2
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 7124
_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 $MID1_B-box2_domain . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7124 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 7124
_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 $MID1_B-box2_domain . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . plasmid . . pGEX-4T2 'BBOX2 domain was inserted after the GST tag which was removed with thrombin' . . . . . 7124 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ZN
_Chem_comp.Entry_ID 7124
_Chem_comp.ID ZN
_Chem_comp.Provenance .
_Chem_comp.Name 'ZINC ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code ZN
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 1999-07-08
_Chem_comp.Modified_date 2011-06-04
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code ZN
_Chem_comp.Number_atoms_all .
_Chem_comp.Number_atoms_nh .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code .
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.409
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Feb 3 17:11:16 2012
;
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
InChI=1S/Zn/q+2 InChI InChI 1.03 7124 ZN
PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 7124 ZN
[Zn++] SMILES CACTVS 3.341 7124 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 7124 ZN
[Zn+2] SMILES ACDLabs 10.04 7124 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 7124 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7124 ZN
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
zinc 'SYSTEMATIC NAME' ACDLabs 10.04 7124 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7124 ZN
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7124 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_Sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode Sample_1
_Sample.Entry_ID 7124
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 B-box2 . . . 1 $MID1_B-box2_domain . protein 0.75 . . mM . . . . 7124 1
2 ZN . . . 2 $ZN . . . . . mM . . . . 7124 1
3 H2O . . . . . . . 90 . . % . . . . 7124 1
4 D2O . . . . . . . 10 . . % . . . . 7124 1
stop_
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode conditions_1
_Sample_condition_list.Entry_ID 7124
_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' 100 5 mM 7124 1
pH 7.5 .01 pH 7124 1
pressure 1 0 atm 7124 1
temperature 294 1 K 7124 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 7124
_Software.ID 1
_Software.Name NMRPipe
_Software.Version n/a
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
NIH . . 7124 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data processing' 7124 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 7124
_Software.ID 2
_Software.Name SPARKY
_Software.Version 3.110
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
UCSF . . 7124 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 7124 2
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_600MHz_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 600MHz_spectrometer
_NMR_spectrometer.Entry_ID 7124
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model Inova
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
#############################
# NMR applied experiments #
#############################
save_NMR_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode NMR_experiment_list
_Experiment_list.Entry_ID 7124
_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 1H15N_HSQC no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1
2 HNCA no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1
3 HNCACB no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1
4 15N/15N_HSQC-NOESY-HSQC no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1
5 1H15N_NOESY-HSQC no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1
6 1H13C_NOESY-HSQC no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1
7 1H13C_HCCH-TOCSY no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_referencing
_Chem_shift_reference.Entry_ID 7124
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7124 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7124 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7124 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 7124
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err .05
_Assigned_chem_shift_list.Chem_shift_13C_err .1
_Assigned_chem_shift_list.Chem_shift_15N_err .1
_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 1H15N_HSQC 1 $Sample_1 isotropic 7124 1
2 HNCA 1 $Sample_1 isotropic 7124 1
3 HNCACB 1 $Sample_1 isotropic 7124 1
4 15N/15N_HSQC-NOESY-HSQC 1 $Sample_1 isotropic 7124 1
5 1H15N_NOESY-HSQC 1 $Sample_1 isotropic 7124 1
6 1H13C_NOESY-HSQC 1 $Sample_1 isotropic 7124 1
7 1H13C_HCCH-TOCSY 1 $Sample_1 isotropic 7124 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 3 3 ILE H H 1 7.95 0.05 . 1 . . . . 170 Ile H . 7124 1
2 . 1 1 3 3 ILE HA H 1 4.12 0.05 . 1 . . . . 170 Ile HA . 7124 1
3 . 1 1 3 3 ILE HB H 1 1.84 0.05 . 1 . . . . 170 Ile HB . 7124 1
4 . 1 1 3 3 ILE HG12 H 1 1.59 0.05 . 1 . . . . 170 Ile HG12 . 7124 1
5 . 1 1 3 3 ILE HG13 H 1 1.38 0.05 . 1 . . . . 170 Ile HG13 . 7124 1
6 . 1 1 3 3 ILE HG21 H 1 1.1 0.05 . 1 . . . . 170 Ile HG2 . 7124 1
7 . 1 1 3 3 ILE HG22 H 1 1.1 0.05 . 1 . . . . 170 Ile HG2 . 7124 1
8 . 1 1 3 3 ILE HG23 H 1 1.1 0.05 . 1 . . . . 170 Ile HG2 . 7124 1
9 . 1 1 3 3 ILE HD11 H 1 0.832 0.05 . 1 . . . . 170 Ile HD . 7124 1
10 . 1 1 3 3 ILE HD12 H 1 0.832 0.05 . 1 . . . . 170 Ile HD . 7124 1
11 . 1 1 3 3 ILE HD13 H 1 0.832 0.05 . 1 . . . . 170 Ile HD . 7124 1
12 . 1 1 3 3 ILE CA C 13 61.47 0.15 . 1 . . . . 170 Ile CA . 7124 1
13 . 1 1 3 3 ILE CB C 13 38.78 0.15 . 1 . . . . 170 Ile CB . 7124 1
14 . 1 1 3 3 ILE CD1 C 13 12.87 0.15 . 1 . . . . 170 Ile CD1 . 7124 1
15 . 1 1 3 3 ILE N N 15 121.5 0.15 . 1 . . . . 170 Ile N . 7124 1
16 . 1 1 4 4 ARG H H 1 8.33 0.05 . 1 . . . . 171 Arg H . 7124 1
17 . 1 1 4 4 ARG HA H 1 4.642 0.05 . 1 . . . . 171 Arg HA . 7124 1
18 . 1 1 4 4 ARG HB2 H 1 3.104 0.05 . 1 . . . . 171 Arg HB . 7124 1
19 . 1 1 4 4 ARG HB3 H 1 3.104 0.05 . 1 . . . . 171 Arg HB . 7124 1
20 . 1 1 4 4 ARG CA C 13 56.97 0.15 . 1 . . . . 171 Arg CA . 7124 1
21 . 1 1 4 4 ARG CB C 13 30.87 0.15 . 1 . . . . 171 Arg CB . 7124 1
22 . 1 1 4 4 ARG N N 15 124.4 0.15 . 1 . . . . 171 Arg N . 7124 1
23 . 1 1 5 5 GLY H H 1 8.44 0.05 . 1 . . . . 172 Gly H . 7124 1
24 . 1 1 5 5 GLY HA2 H 1 3.95 0.05 . 1 . . . . 172 Gly HA . 7124 1
25 . 1 1 5 5 GLY HA3 H 1 3.95 0.05 . 1 . . . . 172 Gly HA . 7124 1
26 . 1 1 5 5 GLY CA C 13 45.72 0.15 . 1 . . . . 172 Gly CA . 7124 1
27 . 1 1 5 5 GLY N N 15 110.1 0.15 . 1 . . . . 172 Gly N . 7124 1
28 . 1 1 6 6 LEU H H 1 7.89 0.05 . 1 . . . . 173 Leu H . 7124 1
29 . 1 1 6 6 LEU HA H 1 4.35 0.05 . 1 . . . . 173 Leu HA . 7124 1
30 . 1 1 6 6 LEU HB2 H 1 1.61 0.05 . 1 . . . . 173 Leu HB2 . 7124 1
31 . 1 1 6 6 LEU HB3 H 1 1.84 0.05 . 1 . . . . 173 Leu HB3 . 7124 1
32 . 1 1 6 6 LEU HG H 1 0.86 0.05 . 1 . . . . 173 Leu HG . 7124 1
33 . 1 1 6 6 LEU CA C 13 55.54 0.15 . 1 . . . . 173 Leu CA . 7124 1
34 . 1 1 6 6 LEU CB C 13 43.76 0.15 . 1 . . . . 173 Leu CB . 7124 1
35 . 1 1 6 6 LEU N N 15 121.2 0.15 . 1 . . . . 173 Leu N . 7124 1
36 . 1 1 7 7 MET H H 1 8.11 0.05 . 1 . . . . 174 Met H . 7124 1
37 . 1 1 7 7 MET HA H 1 5.2 0.05 . 1 . . . . 174 Met HA . 7124 1
38 . 1 1 7 7 MET HB2 H 1 2.579 0.05 . 1 . . . . 174 Met HB2 . 7124 1
39 . 1 1 7 7 MET HB3 H 1 2.72 0.05 . 1 . . . . 174 Met HB3 . 7124 1
40 . 1 1 7 7 MET HG2 H 1 2.08 0.05 . 1 . . . . 174 Met HG2 . 7124 1
41 . 1 1 7 7 MET HG3 H 1 1.912 0.05 . 1 . . . . 174 Met HG3 . 7124 1
42 . 1 1 7 7 MET CA C 13 52.81 0.15 . 1 . . . . 174 Met CA . 7124 1
43 . 1 1 7 7 MET CB C 13 32.14 0.15 . 1 . . . . 174 Met CB . 7124 1
44 . 1 1 7 7 MET CG C 13 32.08 0.15 . 1 . . . . 174 Met CG . 7124 1
45 . 1 1 7 7 MET N N 15 120 0.15 . 1 . . . . 174 Met N . 7124 1
46 . 1 1 8 8 CYS H H 1 8.86 0.05 . 1 . . . . 175 Cys H . 7124 1
47 . 1 1 8 8 CYS HA H 1 3.83 0.05 . 1 . . . . 175 Cys HA . 7124 1
48 . 1 1 8 8 CYS HB2 H 1 3.7 0.05 . 1 . . . . 175 Cys HB2 . 7124 1
49 . 1 1 8 8 CYS HB3 H 1 2.72 0.05 . 1 . . . . 175 Cys HB3 . 7124 1
50 . 1 1 8 8 CYS CA C 13 60.31 0.15 . 1 . . . . 175 Cys CA . 7124 1
51 . 1 1 8 8 CYS CB C 13 28.76 0.15 . 1 . . . . 175 Cys CB . 7124 1
52 . 1 1 8 8 CYS N N 15 125.6 0.15 . 1 . . . . 175 Cys N . 7124 1
53 . 1 1 9 9 LEU H H 1 8.43 0.05 . 1 . . . . 176 Leu H . 7124 1
54 . 1 1 9 9 LEU HA H 1 4.139 0.05 . 1 . . . . 176 Leu HA . 7124 1
55 . 1 1 9 9 LEU HB2 H 1 1.81 0.05 . 1 . . . . 176 Leu HB2 . 7124 1
56 . 1 1 9 9 LEU HB3 H 1 1.6 0.05 . 1 . . . . 176 Leu HB3 . 7124 1
57 . 1 1 9 9 LEU HG H 1 1.86 0.05 . 1 . . . . 176 Leu HG . 7124 1
58 . 1 1 9 9 LEU HD11 H 1 0.779 0.05 . 1 . . . . 176 Leu HD1 . 7124 1
59 . 1 1 9 9 LEU HD12 H 1 0.779 0.05 . 1 . . . . 176 Leu HD1 . 7124 1
60 . 1 1 9 9 LEU HD13 H 1 0.779 0.05 . 1 . . . . 176 Leu HD1 . 7124 1
61 . 1 1 9 9 LEU HD21 H 1 0.946 0.05 . 1 . . . . 176 Leu HD2 . 7124 1
62 . 1 1 9 9 LEU HD22 H 1 0.946 0.05 . 1 . . . . 176 Leu HD2 . 7124 1
63 . 1 1 9 9 LEU HD23 H 1 0.946 0.05 . 1 . . . . 176 Leu HD2 . 7124 1
64 . 1 1 9 9 LEU CA C 13 57.48 0.15 . 1 . . . . 176 Leu CA . 7124 1
65 . 1 1 9 9 LEU CB C 13 42.78 0.15 . 1 . . . . 176 Leu CB . 7124 1
66 . 1 1 9 9 LEU CG C 13 27.21 0.15 . 1 . . . . 176 Leu CG . 7124 1
67 . 1 1 9 9 LEU CD1 C 13 25.23 0.15 . 1 . . . . 176 Leu CD1 . 7124 1
68 . 1 1 9 9 LEU CD2 C 13 23.67 0.15 . 1 . . . . 176 Leu CD2 . 7124 1
69 . 1 1 9 9 LEU N N 15 127.7 0.15 . 1 . . . . 176 Leu N . 7124 1
70 . 1 1 10 10 GLU H H 1 8.97 0.05 . 1 . . . . 177 Glu H . 7124 1
71 . 1 1 10 10 GLU HA H 1 4.14 0.05 . 1 . . . . 177 Glu HA . 7124 1
72 . 1 1 10 10 GLU HB2 H 1 2.09 0.05 . 1 . . . . 177 Glu HB2 . 7124 1
73 . 1 1 10 10 GLU HB3 H 1 1.91 0.05 . 1 . . . . 177 Glu HB3 . 7124 1
74 . 1 1 10 10 GLU HG2 H 1 2.67 0.05 . 1 . . . . 177 Glu HG . 7124 1
75 . 1 1 10 10 GLU HG3 H 1 2.67 0.05 . 1 . . . . 177 Glu HG . 7124 1
76 . 1 1 10 10 GLU CA C 13 57.64 0.15 . 1 . . . . 177 Glu CA . 7124 1
77 . 1 1 10 10 GLU CB C 13 31.66 0.15 . 1 . . . . 177 Glu CB . 7124 1
78 . 1 1 10 10 GLU CG C 13 32.62 0.15 . 1 . . . . 177 Glu CG . 7124 1
79 . 1 1 10 10 GLU N N 15 120.7 0.15 . 1 . . . . 177 Glu N . 7124 1
80 . 1 1 11 11 HIS H H 1 7.866 0.05 . 1 . . . . 178 His H . 7124 1
81 . 1 1 11 11 HIS HA H 1 4.652 0.05 . 1 . . . . 178 His HA . 7124 1
82 . 1 1 11 11 HIS HB2 H 1 3.681 0.05 . 1 . . . . 178 His HB2 . 7124 1
83 . 1 1 11 11 HIS HB3 H 1 3.104 0.05 . 1 . . . . 178 His HB3 . 7124 1
84 . 1 1 11 11 HIS HE1 H 1 8.04 0.05 . 1 . . . . 178 His HE . 7124 1
85 . 1 1 11 11 HIS CA C 13 56.71 0.15 . 1 . . . . 178 His CA . 7124 1
86 . 1 1 11 11 HIS CB C 13 30.59 0.15 . 1 . . . . 178 His CB . 7124 1
87 . 1 1 11 11 HIS N N 15 123.3 0.15 . 1 . . . . 178 His N . 7124 1
88 . 1 1 12 12 GLU H H 1 8.236 0.05 . 1 . . . . 179 Glu H . 7124 1
89 . 1 1 12 12 GLU HA H 1 4.33 0.05 . 1 . . . . 179 Glu HA . 7124 1
90 . 1 1 12 12 GLU HB3 H 1 2.01 0.05 . 1 . . . . 179 Glu HB3 . 7124 1
91 . 1 1 12 12 GLU HG2 H 1 2.214 0.05 . 1 . . . . 179 Glu HG . 7124 1
92 . 1 1 12 12 GLU HG3 H 1 2.214 0.05 . 1 . . . . 179 Glu HG . 7124 1
93 . 1 1 12 12 GLU CA C 13 59.14 0.15 . 1 . . . . 179 Glu CA . 7124 1
94 . 1 1 12 12 GLU CB C 13 30.22 0.15 . 1 . . . . 179 Glu CB . 7124 1
95 . 1 1 12 12 GLU CG C 13 36.25 0.15 . 1 . . . . 179 Glu CG . 7124 1
96 . 1 1 12 12 GLU N N 15 118.6 0.15 . 1 . . . . 179 Glu N . 7124 1
97 . 1 1 13 13 ASP H H 1 8.572 0.05 . 1 . . . . 180 Asp H . 7124 1
98 . 1 1 13 13 ASP HA H 1 4.751 0.05 . 1 . . . . 180 Asp HA . 7124 1
99 . 1 1 13 13 ASP HB2 H 1 2.84 0.05 . 1 . . . . 180 Asp HB2 . 7124 1
100 . 1 1 13 13 ASP HB3 H 1 2.65 0.05 . 1 . . . . 180 Asp HB3 . 7124 1
101 . 1 1 13 13 ASP CA C 13 54.09 0.15 . 1 . . . . 180 Asp CA . 7124 1
102 . 1 1 13 13 ASP CB C 13 41.4 0.15 . 1 . . . . 180 Asp CB . 7124 1
103 . 1 1 13 13 ASP N N 15 116.6 0.15 . 1 . . . . 180 Asp N . 7124 1
104 . 1 1 14 14 GLU H H 1 8.404 0.05 . 1 . . . . 181 Glu H . 7124 1
105 . 1 1 14 14 GLU HA H 1 4.561 0.05 . 1 . . . . 181 Glu HA . 7124 1
106 . 1 1 14 14 GLU HB2 H 1 2.36 0.05 . 1 . . . . 181 Glu HB2 . 7124 1
107 . 1 1 14 14 GLU HB3 H 1 2.11 0.05 . 1 . . . . 181 Glu HB3 . 7124 1
108 . 1 1 14 14 GLU HG2 H 1 2.66 0.05 . 1 . . . . 181 Glu HG2 . 7124 1
109 . 1 1 14 14 GLU HG3 H 1 2.54 0.05 . 1 . . . . 181 Glu HG3 . 7124 1
110 . 1 1 14 14 GLU CA C 13 54.62 0.15 . 1 . . . . 181 Glu CA . 7124 1
111 . 1 1 14 14 GLU CB C 13 32.85 0.15 . 1 . . . . 181 Glu CB . 7124 1
112 . 1 1 14 14 GLU CG C 13 32.26 0.15 . 1 . . . . 181 Glu CG . 7124 1
113 . 1 1 14 14 GLU N N 15 120.7 0.15 . 1 . . . . 181 Glu N . 7124 1
114 . 1 1 15 15 LYS H H 1 8.53 0.05 . 1 . . . . 182 Lys H . 7124 1
115 . 1 1 15 15 LYS HA H 1 4.75 0.05 . 1 . . . . 182 Lys HA . 7124 1
116 . 1 1 15 15 LYS HB2 H 1 2.49 0.05 . 1 . . . . 182 Lys HB2 . 7124 1
117 . 1 1 15 15 LYS HB3 H 1 2.24 0.05 . 1 . . . . 182 Lys HB3 . 7124 1
118 . 1 1 15 15 LYS HG2 H 1 1.506 0.05 . 1 . . . . 182 Lys HG . 7124 1
119 . 1 1 15 15 LYS HG3 H 1 1.506 0.05 . 1 . . . . 182 Lys HG . 7124 1
120 . 1 1 15 15 LYS HD2 H 1 1.707 0.05 . 1 . . . . 182 Lys HD . 7124 1
121 . 1 1 15 15 LYS HD3 H 1 1.707 0.05 . 1 . . . . 182 Lys HD . 7124 1
122 . 1 1 15 15 LYS CA C 13 55.56 0.15 . 1 . . . . 182 Lys CA . 7124 1
123 . 1 1 15 15 LYS CB C 13 33.67 0.15 . 1 . . . . 182 Lys CB . 7124 1
124 . 1 1 15 15 LYS CG C 13 25.47 0.15 . 1 . . . . 182 Lys CG . 7124 1
125 . 1 1 15 15 LYS CD C 13 29.22 0.15 . 1 . . . . 182 Lys CD . 7124 1
126 . 1 1 15 15 LYS N N 15 122.6 0.15 . 1 . . . . 182 Lys N . 7124 1
127 . 1 1 16 16 VAL H H 1 8.26 0.05 . 1 . . . . 183 Val H . 7124 1
128 . 1 1 16 16 VAL HA H 1 3.808 0.05 . 1 . . . . 183 Val HA . 7124 1
129 . 1 1 16 16 VAL HB H 1 2.065 0.05 . 1 . . . . 183 Val HB . 7124 1
130 . 1 1 16 16 VAL HG11 H 1 0.8851 0.05 . 1 . . . . 183 Val HG1 . 7124 1
131 . 1 1 16 16 VAL HG12 H 1 0.8851 0.05 . 1 . . . . 183 Val HG1 . 7124 1
132 . 1 1 16 16 VAL HG13 H 1 0.8851 0.05 . 1 . . . . 183 Val HG1 . 7124 1
133 . 1 1 16 16 VAL HG21 H 1 0.787 0.05 . 1 . . . . 183 Val HG2 . 7124 1
134 . 1 1 16 16 VAL HG22 H 1 0.787 0.05 . 1 . . . . 183 Val HG2 . 7124 1
135 . 1 1 16 16 VAL HG23 H 1 0.787 0.05 . 1 . . . . 183 Val HG2 . 7124 1
136 . 1 1 16 16 VAL CA C 13 63.24 0.15 . 1 . . . . 183 Val CA . 7124 1
137 . 1 1 16 16 VAL CB C 13 32.1 0.15 . 1 . . . . 183 Val CB . 7124 1
138 . 1 1 16 16 VAL CG1 C 13 19.61 0.15 . 1 . . . . 183 Val CG1 . 7124 1
139 . 1 1 16 16 VAL CG2 C 13 21.95 0.15 . 1 . . . . 183 Val CG2 . 7124 1
140 . 1 1 16 16 VAL N N 15 117 0.15 . 1 . . . . 183 Val N . 7124 1
141 . 1 1 17 17 ASN H H 1 8.8 0.05 . 1 . . . . 184 Asn H . 7124 1
142 . 1 1 17 17 ASN HA H 1 4.8 0.05 . 1 . . . . 184 Asn HA . 7124 1
143 . 1 1 17 17 ASN HB2 H 1 3.09 0.05 . 1 . . . . 184 Asn HB2 . 7124 1
144 . 1 1 17 17 ASN HB3 H 1 2.64 0.05 . 1 . . . . 184 Asn HB3 . 7124 1
145 . 1 1 17 17 ASN CA C 13 53.51 0.15 . 1 . . . . 184 Asn CA . 7124 1
146 . 1 1 17 17 ASN CB C 13 40.65 0.15 . 1 . . . . 184 Asn CB . 7124 1
147 . 1 1 17 17 ASN N N 15 120.8 0.15 . 1 . . . . 184 Asn N . 7124 1
148 . 1 1 18 18 MET H H 1 8.43 0.05 . 1 . . . . 185 Met H . 7124 1
149 . 1 1 18 18 MET HA H 1 4.82 0.05 . 1 . . . . 185 Met HA . 7124 1
150 . 1 1 18 18 MET HB2 H 1 1.83 0.05 . 1 . . . . 185 Met HB2 . 7124 1
151 . 1 1 18 18 MET HB3 H 1 1.73 0.05 . 1 . . . . 185 Met HB3 . 7124 1
152 . 1 1 18 18 MET HG2 H 1 2.34 0.05 . 1 . . . . 185 Met HG . 7124 1
153 . 1 1 18 18 MET HG3 H 1 2.34 0.05 . 1 . . . . 185 Met HG . 7124 1
154 . 1 1 18 18 MET CA C 13 55.41 0.15 . 1 . . . . 185 Met CA . 7124 1
155 . 1 1 18 18 MET CB C 13 38.4 0.15 . 1 . . . . 185 Met CB . 7124 1
156 . 1 1 18 18 MET CG C 13 32.32 0.15 . 1 . . . . 185 Met CG . 7124 1
157 . 1 1 18 18 MET N N 15 119.1 0.15 . 1 . . . . 185 Met N . 7124 1
158 . 1 1 19 19 TYR H H 1 9.12 0.05 . 1 . . . . 186 Tyr H . 7124 1
159 . 1 1 19 19 TYR HA H 1 4.91 0.05 . 1 . . . . 186 Tyr HA . 7124 1
160 . 1 1 19 19 TYR HB2 H 1 2.78 0.05 . 1 . . . . 186 Tyr HB . 7124 1
161 . 1 1 19 19 TYR HB3 H 1 2.78 0.05 . 1 . . . . 186 Tyr HB . 7124 1
162 . 1 1 19 19 TYR HD1 H 1 6.811 0.05 . 1 . . . . 186 Tyr HD . 7124 1
163 . 1 1 19 19 TYR HD2 H 1 6.811 0.05 . 1 . . . . 186 Tyr HD . 7124 1
164 . 1 1 19 19 TYR CA C 13 56.41 0.15 . 1 . . . . 186 Tyr CA . 7124 1
165 . 1 1 19 19 TYR CB C 13 41.58 0.15 . 1 . . . . 186 Tyr CB . 7124 1
166 . 1 1 19 19 TYR N N 15 121.5 0.15 . 1 . . . . 186 Tyr N . 7124 1
167 . 1 1 20 20 CYS H H 1 9.22 0.05 . 1 . . . . 187 Cys H . 7124 1
168 . 1 1 20 20 CYS HA H 1 4.7 0.05 . 1 . . . . 187 Cys HA . 7124 1
169 . 1 1 20 20 CYS HB2 H 1 3.09 0.05 . 1 . . . . 187 Cys HB2 . 7124 1
170 . 1 1 20 20 CYS HB3 H 1 2.44 0.05 . 1 . . . . 187 Cys HB3 . 7124 1
171 . 1 1 20 20 CYS CA C 13 59.16 0.15 . 1 . . . . 187 Cys CA . 7124 1
172 . 1 1 20 20 CYS CB C 13 28.86 0.15 . 1 . . . . 187 Cys CB . 7124 1
173 . 1 1 20 20 CYS N N 15 129.1 0.15 . 1 . . . . 187 Cys N . 7124 1
174 . 1 1 21 21 VAL H H 1 9.08 0.05 . 1 . . . . 188 Val H . 7124 1
175 . 1 1 21 21 VAL HA H 1 3.428 0.05 . 1 . . . . 188 Val HA . 7124 1
176 . 1 1 21 21 VAL HB H 1 1.792 0.05 . 1 . . . . 188 Val HB . 7124 1
177 . 1 1 21 21 VAL HG11 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1
178 . 1 1 21 21 VAL HG12 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1
179 . 1 1 21 21 VAL HG13 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1
180 . 1 1 21 21 VAL HG21 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1
181 . 1 1 21 21 VAL HG22 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1
182 . 1 1 21 21 VAL HG23 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1
183 . 1 1 21 21 VAL CA C 13 64.92 0.15 . 1 . . . . 188 Val CA . 7124 1
184 . 1 1 21 21 VAL CB C 13 32.85 0.15 . 1 . . . . 188 Val CB . 7124 1
185 . 1 1 21 21 VAL CG1 C 13 22 0.15 . 1 . . . . 188 Val CG1 . 7124 1
186 . 1 1 21 21 VAL N N 15 131.7 0.15 . 1 . . . . 188 Val N . 7124 1
187 . 1 1 22 22 THR H H 1 7.74 0.05 . 1 . . . . 189 Thr H . 7124 1
188 . 1 1 22 22 THR HA H 1 3.736 0.05 . 1 . . . . 189 Thr HA . 7124 1
189 . 1 1 22 22 THR HB H 1 3.55 0.05 . 1 . . . . 189 Thr HB . 7124 1
190 . 1 1 22 22 THR HG21 H 1 0.602 0.05 . 1 . . . . 189 Thr HG2 . 7124 1
191 . 1 1 22 22 THR HG22 H 1 0.602 0.05 . 1 . . . . 189 Thr HG2 . 7124 1
192 . 1 1 22 22 THR HG23 H 1 0.602 0.05 . 1 . . . . 189 Thr HG2 . 7124 1
193 . 1 1 22 22 THR CA C 13 67.37 0.15 . 1 . . . . 189 Thr CA . 7124 1
194 . 1 1 22 22 THR CB C 13 70.46 0.15 . 1 . . . . 189 Thr CB . 7124 1
195 . 1 1 22 22 THR CG2 C 13 20.13 0.15 . 1 . . . . 189 Thr CG2 . 7124 1
196 . 1 1 22 22 THR N N 15 117.5 0.15 . 1 . . . . 189 Thr N . 7124 1
197 . 1 1 23 23 ASP H H 1 8.19 0.05 . 1 . . . . 190 Asp H . 7124 1
198 . 1 1 23 23 ASP HA H 1 4.807 0.05 . 1 . . . . 190 Asp HA . 7124 1
199 . 1 1 23 23 ASP HB2 H 1 2.95 0.05 . 1 . . . . 190 Asp HB2 . 7124 1
200 . 1 1 23 23 ASP HB3 H 1 2.66 0.05 . 1 . . . . 190 Asp HB3 . 7124 1
201 . 1 1 23 23 ASP CA C 13 55.09 0.15 . 1 . . . . 190 Asp CA . 7124 1
202 . 1 1 23 23 ASP CB C 13 43.75 0.15 . 1 . . . . 190 Asp CB . 7124 1
203 . 1 1 23 23 ASP N N 15 117.3 0.15 . 1 . . . . 190 Asp N . 7124 1
204 . 1 1 24 24 ASP H H 1 8.06 0.05 . 1 . . . . 191 Asp H . 7124 1
205 . 1 1 24 24 ASP HA H 1 4.178 0.05 . 1 . . . . 191 Asp HA . 7124 1
206 . 1 1 24 24 ASP HB2 H 1 2.563 0.05 . 1 . . . . 191 Asp HB2 . 7124 1
207 . 1 1 24 24 ASP HB3 H 1 3.26 0.05 . 1 . . . . 191 Asp HB3 . 7124 1
208 . 1 1 24 24 ASP CA C 13 55.24 0.15 . 1 . . . . 191 Asp CA . 7124 1
209 . 1 1 24 24 ASP CB C 13 39.48 0.15 . 1 . . . . 191 Asp CB . 7124 1
210 . 1 1 24 24 ASP N N 15 121.2 0.15 . 1 . . . . 191 Asp N . 7124 1
211 . 1 1 25 25 GLN H H 1 7.365 0.05 . 1 . . . . 192 Gln H . 7124 1
212 . 1 1 25 25 GLN HA H 1 4.7 0.05 . 1 . . . . 192 Gln HA . 7124 1
213 . 1 1 25 25 GLN HB2 H 1 2.349 0.05 . 1 . . . . 192 Gln HB2 . 7124 1
214 . 1 1 25 25 GLN HB3 H 1 1.72 0.05 . 1 . . . . 192 Gln HB3 . 7124 1
215 . 1 1 25 25 GLN HG2 H 1 2.35 0.05 . 1 . . . . 192 Gln HG . 7124 1
216 . 1 1 25 25 GLN HG3 H 1 2.35 0.05 . 1 . . . . 192 Gln HG . 7124 1
217 . 1 1 25 25 GLN HE21 H 1 7.23 0.05 . 1 . . . . 192 Gln HE1 . 7124 1
218 . 1 1 25 25 GLN HE22 H 1 7.4 0.05 . 1 . . . . 192 Gln HE2 . 7124 1
219 . 1 1 25 25 GLN CA C 13 54.5 0.15 . 1 . . . . 192 Gln CA . 7124 1
220 . 1 1 25 25 GLN CB C 13 34.73 0.15 . 1 . . . . 192 Gln CB . 7124 1
221 . 1 1 25 25 GLN CG C 13 33.72 0.15 . 1 . . . . 192 Gln CG . 7124 1
222 . 1 1 25 25 GLN N N 15 115.9 0.15 . 1 . . . . 192 Gln N . 7124 1
223 . 1 1 25 25 GLN NE2 N 15 111.7 0.15 . 1 . . . . 192 Gln NE . 7124 1
224 . 1 1 26 26 LEU H H 1 8.88 0.05 . 1 . . . . 193 Leu H . 7124 1
225 . 1 1 26 26 LEU HA H 1 4.947 0.05 . 1 . . . . 193 Leu HA . 7124 1
226 . 1 1 26 26 LEU HB2 H 1 1.91 0.05 . 1 . . . . 193 Leu HB2 . 7124 1
227 . 1 1 26 26 LEU HB3 H 1 1.39 0.05 . 1 . . . . 193 Leu HB3 . 7124 1
228 . 1 1 26 26 LEU HD11 H 1 0.985 0.05 . 1 . . . . 193 Leu HD1 . 7124 1
229 . 1 1 26 26 LEU HD12 H 1 0.985 0.05 . 1 . . . . 193 Leu HD1 . 7124 1
230 . 1 1 26 26 LEU HD13 H 1 0.985 0.05 . 1 . . . . 193 Leu HD1 . 7124 1
231 . 1 1 26 26 LEU HD21 H 1 0.774 0.05 . 1 . . . . 193 Leu HD2 . 7124 1
232 . 1 1 26 26 LEU HD22 H 1 0.774 0.05 . 1 . . . . 193 Leu HD2 . 7124 1
233 . 1 1 26 26 LEU HD23 H 1 0.774 0.05 . 1 . . . . 193 Leu HD2 . 7124 1
234 . 1 1 26 26 LEU CA C 13 55.44 0.15 . 1 . . . . 193 Leu CA . 7124 1
235 . 1 1 26 26 LEU CB C 13 42.16 0.15 . 1 . . . . 193 Leu CB . 7124 1
236 . 1 1 26 26 LEU CD1 C 13 24.12 0.15 . 1 . . . . 193 Leu CD1 . 7124 1
237 . 1 1 26 26 LEU CD2 C 13 21.91 0.15 . 1 . . . . 193 Leu CD2 . 7124 1
238 . 1 1 26 26 LEU N N 15 126.1 0.15 . 1 . . . . 193 Leu N . 7124 1
239 . 1 1 27 27 ILE HG12 H 1 1.19 0.05 . 1 . . . . 194 Ile HG2 . 7124 1
240 . 1 1 27 27 ILE HG13 H 1 0.02 0.05 . 1 . . . . 194 Ile HG3 . 7124 1
241 . 1 1 27 27 ILE H H 1 8.78 0.05 . 1 . . . . 194 Ile H . 7124 1
242 . 1 1 27 27 ILE HA H 1 4.961 0.05 . 1 . . . . 194 Ile HA . 7124 1
243 . 1 1 27 27 ILE HB H 1 1.98 0.05 . 1 . . . . 194 Ile HB . 7124 1
244 . 1 1 27 27 ILE HD11 H 1 0.54 0.05 . 1 . . . . 194 Ile HD . 7124 1
245 . 1 1 27 27 ILE HD12 H 1 0.54 0.05 . 1 . . . . 194 Ile HD . 7124 1
246 . 1 1 27 27 ILE HD13 H 1 0.54 0.05 . 1 . . . . 194 Ile HD . 7124 1
247 . 1 1 27 27 ILE CA C 13 60.35 0.15 . 1 . . . . 194 Ile CA . 7124 1
248 . 1 1 27 27 ILE CB C 13 42.59 0.15 . 1 . . . . 194 Ile CB . 7124 1
249 . 1 1 27 27 ILE CG1 C 13 25.52 0.15 . 1 . . . . 194 Ile CG1 . 7124 1
250 . 1 1 27 27 ILE CG2 C 13 15.86 0.15 . 1 . . . . 194 Ile CG2 . 7124 1
251 . 1 1 27 27 ILE CD1 C 13 14.51 0.15 . 1 . . . . 194 Ile CD1 . 7124 1
252 . 1 1 27 27 ILE N N 15 115.9 0.15 . 1 . . . . 194 Ile N . 7124 1
253 . 1 1 28 28 CYS H H 1 7.86 0.05 . 1 . . . . 195 Cys H . 7124 1
254 . 1 1 28 28 CYS HA H 1 5.46 0.05 . 1 . . . . 195 Cys HA . 7124 1
255 . 1 1 28 28 CYS HB2 H 1 3.61 0.05 . 1 . . . . 195 Cys HB2 . 7124 1
256 . 1 1 28 28 CYS HB3 H 1 2.63 0.05 . 1 . . . . 195 Cys HB3 . 7124 1
257 . 1 1 28 28 CYS CA C 13 56.82 0.15 . 1 . . . . 195 Cys CA . 7124 1
258 . 1 1 28 28 CYS CB C 13 35.82 0.15 . 1 . . . . 195 Cys CB . 7124 1
259 . 1 1 28 28 CYS N N 15 118.4 0.15 . 1 . . . . 195 Cys N . 7124 1
260 . 1 1 29 29 ALA H H 1 8.64 0.05 . 1 . . . . 196 Ala H . 7124 1
261 . 1 1 29 29 ALA HA H 1 4.05 0.05 . 1 . . . . 196 Ala HA . 7124 1
262 . 1 1 29 29 ALA HB1 H 1 1.436 0.05 . 1 . . . . 196 Ala HB . 7124 1
263 . 1 1 29 29 ALA HB2 H 1 1.436 0.05 . 1 . . . . 196 Ala HB . 7124 1
264 . 1 1 29 29 ALA HB3 H 1 1.436 0.05 . 1 . . . . 196 Ala HB . 7124 1
265 . 1 1 29 29 ALA CA C 13 55.62 0.15 . 1 . . . . 196 Ala CA . 7124 1
266 . 1 1 29 29 ALA CB C 13 19.4 0.15 . 1 . . . . 196 Ala CB . 7124 1
267 . 1 1 29 29 ALA N N 15 119.1 0.15 . 1 . . . . 196 Ala N . 7124 1
268 . 1 1 30 30 LEU H H 1 8.66 0.05 . 1 . . . . 197 Leu H . 7124 1
269 . 1 1 30 30 LEU HA H 1 3.922 0.05 . 1 . . . . 197 Leu HA . 7124 1
270 . 1 1 30 30 LEU HB2 H 1 0.79 0.05 . 1 . . . . 197 Leu HB2 . 7124 1
271 . 1 1 30 30 LEU HB3 H 1 0.571 0.05 . 1 . . . . 197 Leu HB3 . 7124 1
272 . 1 1 30 30 LEU HG H 1 1.46 0.05 . 1 . . . . 197 Leu HG . 7124 1
273 . 1 1 30 30 LEU HD11 H 1 0.79 0.05 . 1 . . . . 197 Leu HD1 . 7124 1
274 . 1 1 30 30 LEU HD12 H 1 0.79 0.05 . 1 . . . . 197 Leu HD1 . 7124 1
275 . 1 1 30 30 LEU HD13 H 1 0.79 0.05 . 1 . . . . 197 Leu HD1 . 7124 1
276 . 1 1 30 30 LEU HD21 H 1 0.571 0.05 . 1 . . . . 197 Leu HD2 . 7124 1
277 . 1 1 30 30 LEU HD22 H 1 0.571 0.05 . 1 . . . . 197 Leu HD2 . 7124 1
278 . 1 1 30 30 LEU HD23 H 1 0.571 0.05 . 1 . . . . 197 Leu HD2 . 7124 1
279 . 1 1 30 30 LEU CA C 13 58.44 0.15 . 1 . . . . 197 Leu CA . 7124 1
280 . 1 1 30 30 LEU CB C 13 40.38 0.15 . 1 . . . . 197 Leu CB . 7124 1
281 . 1 1 30 30 LEU CG C 13 27.21 0.15 . 1 . . . . 197 Leu CG . 7124 1
282 . 1 1 30 30 LEU CD1 C 13 22.35 0.15 . 1 . . . . 197 Leu CD1 . 7124 1
283 . 1 1 30 30 LEU CD2 C 13 21.95 0.15 . 1 . . . . 197 Leu CD2 . 7124 1
284 . 1 1 30 30 LEU N N 15 120.5 0.15 . 1 . . . . 197 Leu N . 7124 1
285 . 1 1 31 31 CYS H H 1 8.29 0.05 . 1 . . . . 198 Cys H . 7124 1
286 . 1 1 31 31 CYS HA H 1 4.05 0.05 . 1 . . . . 198 Cys HA . 7124 1
287 . 1 1 31 31 CYS HB2 H 1 1.9 0.05 . 1 . . . . 198 Cys HB2 . 7124 1
288 . 1 1 31 31 CYS HB3 H 1 2.6 0.05 . 1 . . . . 198 Cys HB3 . 7124 1
289 . 1 1 31 31 CYS CA C 13 66.6 0.15 . 1 . . . . 198 Cys CA . 7124 1
290 . 1 1 31 31 CYS CB C 13 31.77 0.15 . 1 . . . . 198 Cys CB . 7124 1
291 . 1 1 31 31 CYS N N 15 124.2 0.15 . 1 . . . . 198 Cys N . 7124 1
292 . 1 1 32 32 LYS H H 1 6.716 0.05 . 1 . . . . 199 Lys H . 7124 1
293 . 1 1 32 32 LYS HA H 1 3.956 0.05 . 1 . . . . 199 Lys HA . 7124 1
294 . 1 1 32 32 LYS HB2 H 1 1.9 0.05 . 1 . . . . 199 Lys HB2 . 7124 1
295 . 1 1 32 32 LYS HB3 H 1 1.56 0.05 . 1 . . . . 199 Lys HB3 . 7124 1
296 . 1 1 32 32 LYS HG2 H 1 1.41 0.05 . 1 . . . . 199 Lys HG . 7124 1
297 . 1 1 32 32 LYS HG3 H 1 1.41 0.05 . 1 . . . . 199 Lys HG . 7124 1
298 . 1 1 32 32 LYS CA C 13 55.9 0.15 . 1 . . . . 199 Lys CA . 7124 1
299 . 1 1 32 32 LYS CB C 13 34.32 0.15 . 1 . . . . 199 Lys CB . 7124 1
300 . 1 1 32 32 LYS CG C 13 27.13 0.15 . 1 . . . . 199 Lys CG . 7124 1
301 . 1 1 32 32 LYS N N 15 115.2 0.15 . 1 . . . . 199 Lys N . 7124 1
302 . 1 1 33 33 LEU H H 1 8.073 0.05 . 1 . . . . 200 Leu H . 7124 1
303 . 1 1 33 33 LEU HA H 1 4.254 0.05 . 1 . . . . 200 Leu HA . 7124 1
304 . 1 1 33 33 LEU HB2 H 1 1.85 0.05 . 1 . . . . 200 Leu HB2 . 7124 1
305 . 1 1 33 33 LEU HB3 H 1 1.64 0.05 . 1 . . . . 200 Leu HB3 . 7124 1
306 . 1 1 33 33 LEU HG H 1 1.66 0.05 . 1 . . . . 200 Leu HG . 7124 1
307 . 1 1 33 33 LEU HD11 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1
308 . 1 1 33 33 LEU HD12 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1
309 . 1 1 33 33 LEU HD13 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1
310 . 1 1 33 33 LEU HD21 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1
311 . 1 1 33 33 LEU HD22 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1
312 . 1 1 33 33 LEU HD23 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1
313 . 1 1 33 33 LEU CA C 13 58.18 0.15 . 1 . . . . 200 Leu CA . 7124 1
314 . 1 1 33 33 LEU CB C 13 44.55 0.15 . 1 . . . . 200 Leu CB . 7124 1
315 . 1 1 33 33 LEU CG C 13 27 0.15 . 1 . . . . 200 Leu CG . 7124 1
316 . 1 1 33 33 LEU CD1 C 13 23.69 0.15 . 1 . . . . 200 Leu CD . 7124 1
317 . 1 1 33 33 LEU CD2 C 13 23.69 0.15 . 1 . . . . 200 Leu CD . 7124 1
318 . 1 1 33 33 LEU N N 15 118.6 0.15 . 1 . . . . 200 Leu N . 7124 1
319 . 1 1 34 34 VAL H H 1 8.089 0.05 . 1 . . . . 201 Val H . 7124 1
320 . 1 1 34 34 VAL HA H 1 4.625 0.05 . 1 . . . . 201 Val HA . 7124 1
321 . 1 1 34 34 VAL HB H 1 2.355 0.05 . 1 . . . . 201 Val HB . 7124 1
322 . 1 1 34 34 VAL HG11 H 1 0.86 0.05 . 1 . . . . 201 Val HG1 . 7124 1
323 . 1 1 34 34 VAL HG12 H 1 0.86 0.05 . 1 . . . . 201 Val HG1 . 7124 1
324 . 1 1 34 34 VAL HG13 H 1 0.86 0.05 . 1 . . . . 201 Val HG1 . 7124 1
325 . 1 1 34 34 VAL HG21 H 1 0.76 0.05 . 1 . . . . 201 Val HG2 . 7124 1
326 . 1 1 34 34 VAL HG22 H 1 0.76 0.05 . 1 . . . . 201 Val HG2 . 7124 1
327 . 1 1 34 34 VAL HG23 H 1 0.76 0.05 . 1 . . . . 201 Val HG2 . 7124 1
328 . 1 1 34 34 VAL CA C 13 60.9 0.15 . 1 . . . . 201 Val CA . 7124 1
329 . 1 1 34 34 VAL CB C 13 35 0.15 . 1 . . . . 201 Val CB . 7124 1
330 . 1 1 34 34 VAL CG1 C 13 21.54 0.15 . 1 . . . . 201 Val CG1 . 7124 1
331 . 1 1 34 34 VAL CG2 C 13 19.14 0.15 . 1 . . . . 201 Val CG2 . 7124 1
332 . 1 1 34 34 VAL N N 15 107.7 0.15 . 1 . . . . 201 Val N . 7124 1
333 . 1 1 35 35 GLY H H 1 7.5 0.05 . 1 . . . . 202 Gly H . 7124 1
334 . 1 1 35 35 GLY HA2 H 1 3.931 0.05 . 1 . . . . 202 Gly HA . 7124 1
335 . 1 1 35 35 GLY HA3 H 1 3.931 0.05 . 1 . . . . 202 Gly HA . 7124 1
336 . 1 1 35 35 GLY CA C 13 45.22 0.15 . 1 . . . . 202 Gly CA . 7124 1
337 . 1 1 35 35 GLY N N 15 110.3 0.15 . 1 . . . . 202 Gly N . 7124 1
338 . 1 1 36 36 ARG H H 1 8.949 0.05 . 1 . . . . 203 Arg H . 7124 1
339 . 1 1 36 36 ARG HA H 1 4.25 0.05 . 1 . . . . 203 Arg HA . 7124 1
340 . 1 1 36 36 ARG HB2 H 1 1.86 0.05 . 1 . . . . 203 Arg HB2 . 7124 1
341 . 1 1 36 36 ARG HB3 H 1 1.8 0.05 . 1 . . . . 203 Arg HB3 . 7124 1
342 . 1 1 36 36 ARG HG2 H 1 1.68 0.05 . 1 . . . . 203 Arg HG2 . 7124 1
343 . 1 1 36 36 ARG HG3 H 1 1.63 0.05 . 1 . . . . 203 Arg HG3 . 7124 1
344 . 1 1 36 36 ARG HD2 H 1 3.21 0.05 . 1 . . . . 203 Arg HD . 7124 1
345 . 1 1 36 36 ARG HD3 H 1 3.21 0.05 . 1 . . . . 203 Arg HD . 7124 1
346 . 1 1 36 36 ARG CA C 13 57.45 0.15 . 1 . . . . 203 Arg CA . 7124 1
347 . 1 1 36 36 ARG CB C 13 30.18 0.15 . 1 . . . . 203 Arg CB . 7124 1
348 . 1 1 36 36 ARG N N 15 118 0.15 . 1 . . . . 203 Arg N . 7124 1
349 . 1 1 37 37 HIS H H 1 7.554 0.05 . 1 . . . . 204 His H . 7124 1
350 . 1 1 37 37 HIS HA H 1 3.41 0.05 . 1 . . . . 204 His HA . 7124 1
351 . 1 1 37 37 HIS HB2 H 1 3.18 0.05 . 1 . . . . 204 His HB2 . 7124 1
352 . 1 1 37 37 HIS HB3 H 1 2.35 0.05 . 1 . . . . 204 His HB3 . 7124 1
353 . 1 1 37 37 HIS HE1 H 1 7.2 0.05 . 1 . . . . 204 His HE1 . 7124 1
354 . 1 1 37 37 HIS CA C 13 53.56 0.15 . 1 . . . . 204 His CA . 7124 1
355 . 1 1 37 37 HIS CB C 13 30.86 0.15 . 1 . . . . 204 His CB . 7124 1
356 . 1 1 37 37 HIS N N 15 116.1 0.15 . 1 . . . . 204 His N . 7124 1
357 . 1 1 38 38 ARG H H 1 7.047 0.05 . 1 . . . . 205 Arg H . 7124 1
358 . 1 1 38 38 ARG HA H 1 4.64 0.05 . 1 . . . . 205 Arg HA . 7124 1
359 . 1 1 38 38 ARG HB2 H 1 1.62 0.05 . 1 . . . . 205 Arg HB . 7124 1
360 . 1 1 38 38 ARG HB3 H 1 1.62 0.05 . 1 . . . . 205 Arg HB . 7124 1
361 . 1 1 38 38 ARG HG2 H 1 1.69 0.05 . 1 . . . . 205 Arg HG . 7124 1
362 . 1 1 38 38 ARG HG3 H 1 1.69 0.05 . 1 . . . . 205 Arg HG . 7124 1
363 . 1 1 38 38 ARG CA C 13 59.27 0.15 . 1 . . . . 205 Arg CA . 7124 1
364 . 1 1 38 38 ARG CB C 13 31.19 0.15 . 1 . . . . 205 Arg CB . 7124 1
365 . 1 1 38 38 ARG CG C 13 25.39 0.15 . 1 . . . . 205 Arg CG . 7124 1
366 . 1 1 38 38 ARG N N 15 121 0.15 . 1 . . . . 205 Arg N . 7124 1
367 . 1 1 39 39 ASP H H 1 8.655 0.05 . 1 . . . . 206 Asp H . 7124 1
368 . 1 1 39 39 ASP HA H 1 5.03 0.05 . 1 . . . . 206 Asp HA . 7124 1
369 . 1 1 39 39 ASP HB2 H 1 2.87 0.05 . 1 . . . . 206 Asp HB2 . 7124 1
370 . 1 1 39 39 ASP HB3 H 1 2.68 0.05 . 1 . . . . 206 Asp HB3 . 7124 1
371 . 1 1 39 39 ASP CA C 13 53.4 0.15 . 1 . . . . 206 Asp CA . 7124 1
372 . 1 1 39 39 ASP CB C 13 40.95 0.15 . 1 . . . . 206 Asp CB . 7124 1
373 . 1 1 39 39 ASP N N 15 117.5 0.15 . 1 . . . . 206 Asp N . 7124 1
374 . 1 1 40 40 HIS H H 1 7.509 0.05 . 1 . . . . 207 His H . 7124 1
375 . 1 1 40 40 HIS HA H 1 4.795 0.05 . 1 . . . . 207 His HA . 7124 1
376 . 1 1 40 40 HIS HB2 H 1 3.45 0.05 . 1 . . . . 207 His HB2 . 7124 1
377 . 1 1 40 40 HIS HB3 H 1 3.31 0.05 . 1 . . . . 207 His HB3 . 7124 1
378 . 1 1 40 40 HIS HD2 H 1 7.383 0.05 . 1 . . . . 207 His HD2 . 7124 1
379 . 1 1 40 40 HIS CA C 13 54.14 0.15 . 1 . . . . 207 His CA . 7124 1
380 . 1 1 40 40 HIS CB C 13 33.99 0.15 . 1 . . . . 207 His CB . 7124 1
381 . 1 1 40 40 HIS N N 15 119.3 0.15 . 1 . . . . 207 His N . 7124 1
382 . 1 1 41 41 GLN H H 1 8.026 0.05 . 1 . . . . 208 Gln H . 7124 1
383 . 1 1 41 41 GLN HA H 1 4.535 0.05 . 1 . . . . 208 Gln HA . 7124 1
384 . 1 1 41 41 GLN HB2 H 1 1.97 0.05 . 1 . . . . 208 Gln HB . 7124 1
385 . 1 1 41 41 GLN HB3 H 1 1.97 0.05 . 1 . . . . 208 Gln HB . 7124 1
386 . 1 1 41 41 GLN HG2 H 1 2.487 0.05 . 1 . . . . 208 Gln HG2 . 7124 1
387 . 1 1 41 41 GLN HG3 H 1 2.22 0.05 . 1 . . . . 208 Gln HG3 . 7124 1
388 . 1 1 41 41 GLN HE21 H 1 7.619 0.05 . 1 . . . . 208 Gln HE1 . 7124 1
389 . 1 1 41 41 GLN HE22 H 1 6.949 0.05 . 1 . . . . 208 Gln HE2 . 7124 1
390 . 1 1 41 41 GLN CA C 13 55.8 0.15 . 1 . . . . 208 Gln CA . 7124 1
391 . 1 1 41 41 GLN CB C 13 29.14 0.15 . 1 . . . . 208 Gln CB . 7124 1
392 . 1 1 41 41 GLN CG C 13 35.6 0.15 . 1 . . . . 208 Gln CG . 7124 1
393 . 1 1 41 41 GLN N N 15 121.9 0.15 . 1 . . . . 208 Gln N . 7124 1
394 . 1 1 41 41 GLN NE2 N 15 111.9 0.15 . 1 . . . . 208 Gln NE . 7124 1
395 . 1 1 42 42 VAL H H 1 8.546 0.05 . 1 . . . . 209 Val H . 7124 1
396 . 1 1 42 42 VAL HA H 1 5.528 0.05 . 1 . . . . 209 Val HA . 7124 1
397 . 1 1 42 42 VAL HB H 1 2.015 0.05 . 1 . . . . 209 Val HB . 7124 1
398 . 1 1 42 42 VAL HG11 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1
399 . 1 1 42 42 VAL HG12 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1
400 . 1 1 42 42 VAL HG13 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1
401 . 1 1 42 42 VAL HG21 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1
402 . 1 1 42 42 VAL HG22 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1
403 . 1 1 42 42 VAL HG23 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1
404 . 1 1 42 42 VAL CA C 13 59.52 0.15 . 1 . . . . 209 Val CA . 7124 1
405 . 1 1 42 42 VAL CB C 13 36.26 0.15 . 1 . . . . 209 Val CB . 7124 1
406 . 1 1 42 42 VAL CG1 C 13 22.72 0.15 . 1 . . . . 209 Val CG1 . 7124 1
407 . 1 1 42 42 VAL CG2 C 13 19.14 0.15 . 1 . . . . 209 Val CG2 . 7124 1
408 . 1 1 42 42 VAL N N 15 119.1 0.15 . 1 . . . . 209 Val N . 7124 1
409 . 1 1 43 43 ALA H H 1 9.498 0.05 . 1 . . . . 210 Ala H . 7124 1
410 . 1 1 43 43 ALA HA H 1 4.776 0.05 . 1 . . . . 210 Ala HA . 7124 1
411 . 1 1 43 43 ALA HB1 H 1 1.52 0.05 . 1 . . . . 210 Ala HB . 7124 1
412 . 1 1 43 43 ALA HB2 H 1 1.52 0.05 . 1 . . . . 210 Ala HB . 7124 1
413 . 1 1 43 43 ALA HB3 H 1 1.52 0.05 . 1 . . . . 210 Ala HB . 7124 1
414 . 1 1 43 43 ALA CA C 13 50.93 0.15 . 1 . . . . 210 Ala CA . 7124 1
415 . 1 1 43 43 ALA CB C 13 23.13 0.15 . 1 . . . . 210 Ala CB . 7124 1
416 . 1 1 43 43 ALA N N 15 125.8 0.15 . 1 . . . . 210 Ala N . 7124 1
417 . 1 1 44 44 ALA H H 1 8.616 0.05 . 1 . . . . 211 Ala H . 7124 1
418 . 1 1 44 44 ALA HA H 1 4.494 0.05 . 1 . . . . 211 Ala HA . 7124 1
419 . 1 1 44 44 ALA HB1 H 1 1.47 0.05 . 1 . . . . 211 Ala HB . 7124 1
420 . 1 1 44 44 ALA HB2 H 1 1.47 0.05 . 1 . . . . 211 Ala HB . 7124 1
421 . 1 1 44 44 ALA HB3 H 1 1.47 0.05 . 1 . . . . 211 Ala HB . 7124 1
422 . 1 1 44 44 ALA CA C 13 52.1 0.15 . 1 . . . . 211 Ala CA . 7124 1
423 . 1 1 44 44 ALA CB C 13 19.77 0.15 . 1 . . . . 211 Ala CB . 7124 1
424 . 1 1 44 44 ALA N N 15 123.5 0.15 . 1 . . . . 211 Ala N . 7124 1
425 . 1 1 45 45 LEU H H 1 8.16 0.05 . 1 . . . . 212 Leu H . 7124 1
426 . 1 1 45 45 LEU HA H 1 4.949 0.05 . 1 . . . . 212 Leu HA . 7124 1
427 . 1 1 45 45 LEU HB2 H 1 1.91 0.05 . 1 . . . . 212 Leu HB2 . 7124 1
428 . 1 1 45 45 LEU HB3 H 1 1.4 0.05 . 1 . . . . 212 Leu HB3 . 7124 1
429 . 1 1 45 45 LEU HD11 H 1 1.04 0.05 . 1 . . . . 212 Leu HD1 . 7124 1
430 . 1 1 45 45 LEU HD12 H 1 1.04 0.05 . 1 . . . . 212 Leu HD1 . 7124 1
431 . 1 1 45 45 LEU HD13 H 1 1.04 0.05 . 1 . . . . 212 Leu HD1 . 7124 1
432 . 1 1 45 45 LEU HD21 H 1 0.724 0.05 . 1 . . . . 212 Leu HD2 . 7124 1
433 . 1 1 45 45 LEU HD22 H 1 0.724 0.05 . 1 . . . . 212 Leu HD2 . 7124 1
434 . 1 1 45 45 LEU HD23 H 1 0.724 0.05 . 1 . . . . 212 Leu HD2 . 7124 1
435 . 1 1 45 45 LEU CA C 13 55.13 0.15 . 1 . . . . 212 Leu CA . 7124 1
436 . 1 1 45 45 LEU CB C 13 42.42 0.15 . 1 . . . . 212 Leu CB . 7124 1
437 . 1 1 45 45 LEU CD1 C 13 26.17 0.15 . 1 . . . . 212 Leu CD1 . 7124 1
438 . 1 1 45 45 LEU CD2 C 13 22.19 0.15 . 1 . . . . 212 Leu CD2 . 7124 1
439 . 1 1 45 45 LEU N N 15 120.5 0.15 . 1 . . . . 212 Leu N . 7124 1
440 . 1 1 46 46 SER H H 1 8.349 0.05 . 1 . . . . 213 Ser H . 7124 1
441 . 1 1 46 46 SER HA H 1 4.4 0.05 . 1 . . . . 213 Ser HA . 7124 1
442 . 1 1 46 46 SER HB2 H 1 3.86 0.05 . 1 . . . . 213 Ser HB . 7124 1
443 . 1 1 46 46 SER HB3 H 1 3.86 0.05 . 1 . . . . 213 Ser HB . 7124 1
444 . 1 1 46 46 SER CA C 13 58.26 0.15 . 1 . . . . 213 Ser CA . 7124 1
445 . 1 1 46 46 SER CB C 13 64.38 0.15 . 1 . . . . 213 Ser CB . 7124 1
446 . 1 1 46 46 SER N N 15 116.8 0.15 . 1 . . . . 213 Ser N . 7124 1
447 . 1 1 47 47 GLU H H 1 8.069 0.05 . 1 . . . . 214 Glu H . 7124 1
448 . 1 1 47 47 GLU HA H 1 4.148 0.05 . 1 . . . . 214 Glu HA . 7124 1
449 . 1 1 47 47 GLU HB2 H 1 1.895 0.05 . 1 . . . . 214 Glu HB . 7124 1
450 . 1 1 47 47 GLU HB3 H 1 1.895 0.05 . 1 . . . . 214 Glu HB . 7124 1
451 . 1 1 47 47 GLU CA C 13 58.64 0.15 . 1 . . . . 214 Glu CA . 7124 1
452 . 1 1 47 47 GLU CB C 13 31.65 0.15 . 1 . . . . 214 Glu CB . 7124 1
453 . 1 1 47 47 GLU N N 15 127.7 0.15 . 1 . . . . 214 Glu N . 7124 1
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