data_17028
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 17028
_Entry.Title
;
The Solution Structure of the C-terminal Ig-like Domain of the Bacteriophage Lambda Tail Tube Protein
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-06-30
_Entry.Accession_date 2010-06-30
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Lisa Pell . G. . 17028
2 Genevieve Gasmi-Seabrook . M.C. . 17028
3 Logan Donaldson . W. . 17028
4 'P Lynne' Howell . . . 17028
5 Alan Davidson . R. . 17028
6 Karen Maxwell . L. . 17028
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
. 'not applicable' 'not applicable' . 17028
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'bacteriophage lambda' . 17028
gpV . 17028
'Ig-like domain' . 17028
'phage tail' . 17028
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 17028
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 343 17028
'15N chemical shifts' 91 17028
'1H chemical shifts' 566 17028
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 . . 2010-10-14 2010-06-30 update BMRB 'update entry citation' 17028
1 . . 2010-09-24 2010-06-30 original author 'original release' 17028
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2L04 'BMRB Entry Tracking System' 17028
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 17028
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 20826161
_Citation.Full_citation .
_Citation.Title 'The Solution Structure of the C-Terminal Ig-like Domain of the Bacteriophage Tail Tube Protein.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Mol. Biol.'
_Citation.Journal_name_full 'Journal of molecular biology'
_Citation.Journal_volume 403
_Citation.Journal_issue 3
_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 468
_Citation.Page_last 479
_Citation.Year 2010
_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 Lisa Pell . G. . 17028 1
2 Genevieve Gasmi-Seabrook . M.C. . 17028 1
3 Marc Morais . . . 17028 1
4 Philipp Neudecker . . . 17028 1
5 Voula Kanelis . . . 17028 1
6 Diane Bona . . . 17028 1
7 Logan Donaldson . W. . 17028 1
8 Aled Edwards . M. . 17028 1
9 'P. Lynne' Howell . . . 17028 1
10 Alan Davidson . R. . 17028 1
11 Karen Maxwell . L. . 17028 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'bacteriophage lambda' 17028 1
gpV 17028 1
'phage tail' 17028 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 17028
_Assembly.ID 1
_Assembly.Name 'Bacteriophage Lambda Tail Tube-gpV-C'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 gpV-C 1 $gpV-C A . yes native no no . . . 17028 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_gpV-C
_Entity.Sf_category entity
_Entity.Sf_framecode gpV-C
_Entity.Entry_ID 17028
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name gpV-C
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GAMAAATGMTVTPASTSVVK
GQSTTLTVAFQPEGVTDKSF
RAVSADKTKATVSVSGMTIT
VNGVAAGKVNIPVVSGNGEF
AAVAEITVTAS
;
_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 91
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 8882.101
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2L04 . "The Solution Structure Of The C-terminal Ig-like Domain Of The Bacteriophage Lambda Tail Tube Protein" . . . . . 100.00 91 100.00 100.00 2.56e-52 . . . . 17028 1
2 no DBJ BAG77580 . "putative phage tail component [Escherichia coli SE11]" . . . . . 95.60 246 97.70 97.70 6.97e-46 . . . . 17028 1
3 no DBJ BAI29415 . "putative major tail protein [Escherichia coli O103:H2 str. 12009]" . . . . . 95.60 239 98.85 100.00 2.72e-47 . . . . 17028 1
4 no EMBL CAP75673 . "tail component of prophage [Escherichia coli LF82]" . . . . . 95.60 246 97.70 98.85 1.45e-46 . . . . 17028 1
5 no EMBL CAQ31259 . "enterobacteria phage lambda, tail component [Escherichia coli BL21(DE3)]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1
6 no EMBL CAR01926 . "Major tail protein V [Escherichia coli S88]" . . . . . 95.60 256 98.85 98.85 1.28e-46 . . . . 17028 1
7 no EMBL CAR02528 . "Major tail protein V [Escherichia coli S88]" . . . . . 95.60 256 98.85 98.85 1.28e-46 . . . . 17028 1
8 no EMBL CAR16659 . "Major tail protein V [Escherichia coli IAI39]" . . . . . 95.60 256 98.85 98.85 1.09e-46 . . . . 17028 1
9 no GB AAA96545 . "V (tail component;256) [Enterobacteria phage lambda]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1
10 no GB ACF32394 . "tail component [Enterobacteria phage DE3]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1
11 no GB ACR63704 . "Major tail protein V [Escherichia coli BW2952]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1
12 no GB ACT29881 . "Ig domain protein group 2 domain protein [Escherichia coli 'BL21-Gold(DE3)pLysS AG']" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1
13 no GB ACT42628 . "tail component [Escherichia coli BL21(DE3)]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1
14 no REF NP_040592 . "tail component [Enterobacteria phage lambda]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1
15 no REF WP_000056728 . "tail protein [Escherichia coli]" . . . . . 95.60 256 98.85 98.85 1.09e-46 . . . . 17028 1
16 no REF WP_000306529 . "phage tail protein, partial [Escherichia coli]" . . . . . 95.60 209 100.00 100.00 3.91e-48 . . . . 17028 1
17 no REF WP_000419939 . "phage tail protein, partial [Escherichia coli]" . . . . . 95.60 235 100.00 100.00 6.48e-48 . . . . 17028 1
18 no REF WP_001297108 . "tail protein [Escherichia coli]" . . . . . 95.60 239 100.00 100.00 1.01e-47 . . . . 17028 1
19 no SP P03733 . "RecName: Full=Tail tube protein; Short=TTP; AltName: Full=Gene product V; Short=gpV; AltName: Full=Major tail protein V [Entero" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 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
1 156 GLY . 17028 1
2 157 ALA . 17028 1
3 158 MET . 17028 1
4 159 ALA . 17028 1
5 160 ALA . 17028 1
6 161 ALA . 17028 1
7 162 THR . 17028 1
8 163 GLY . 17028 1
9 164 MET . 17028 1
10 165 THR . 17028 1
11 166 VAL . 17028 1
12 167 THR . 17028 1
13 168 PRO . 17028 1
14 169 ALA . 17028 1
15 170 SER . 17028 1
16 171 THR . 17028 1
17 172 SER . 17028 1
18 173 VAL . 17028 1
19 174 VAL . 17028 1
20 175 LYS . 17028 1
21 176 GLY . 17028 1
22 177 GLN . 17028 1
23 178 SER . 17028 1
24 179 THR . 17028 1
25 180 THR . 17028 1
26 181 LEU . 17028 1
27 182 THR . 17028 1
28 183 VAL . 17028 1
29 184 ALA . 17028 1
30 185 PHE . 17028 1
31 186 GLN . 17028 1
32 187 PRO . 17028 1
33 188 GLU . 17028 1
34 189 GLY . 17028 1
35 190 VAL . 17028 1
36 191 THR . 17028 1
37 192 ASP . 17028 1
38 193 LYS . 17028 1
39 194 SER . 17028 1
40 195 PHE . 17028 1
41 196 ARG . 17028 1
42 197 ALA . 17028 1
43 198 VAL . 17028 1
44 199 SER . 17028 1
45 200 ALA . 17028 1
46 201 ASP . 17028 1
47 202 LYS . 17028 1
48 203 THR . 17028 1
49 204 LYS . 17028 1
50 205 ALA . 17028 1
51 206 THR . 17028 1
52 207 VAL . 17028 1
53 208 SER . 17028 1
54 209 VAL . 17028 1
55 210 SER . 17028 1
56 211 GLY . 17028 1
57 212 MET . 17028 1
58 213 THR . 17028 1
59 214 ILE . 17028 1
60 215 THR . 17028 1
61 216 VAL . 17028 1
62 217 ASN . 17028 1
63 218 GLY . 17028 1
64 219 VAL . 17028 1
65 220 ALA . 17028 1
66 221 ALA . 17028 1
67 222 GLY . 17028 1
68 223 LYS . 17028 1
69 224 VAL . 17028 1
70 225 ASN . 17028 1
71 226 ILE . 17028 1
72 227 PRO . 17028 1
73 228 VAL . 17028 1
74 229 VAL . 17028 1
75 230 SER . 17028 1
76 231 GLY . 17028 1
77 232 ASN . 17028 1
78 233 GLY . 17028 1
79 234 GLU . 17028 1
80 235 PHE . 17028 1
81 236 ALA . 17028 1
82 237 ALA . 17028 1
83 238 VAL . 17028 1
84 239 ALA . 17028 1
85 240 GLU . 17028 1
86 241 ILE . 17028 1
87 242 THR . 17028 1
88 243 VAL . 17028 1
89 244 THR . 17028 1
90 245 ALA . 17028 1
91 246 SER . 17028 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 17028 1
. ALA 2 2 17028 1
. MET 3 3 17028 1
. ALA 4 4 17028 1
. ALA 5 5 17028 1
. ALA 6 6 17028 1
. THR 7 7 17028 1
. GLY 8 8 17028 1
. MET 9 9 17028 1
. THR 10 10 17028 1
. VAL 11 11 17028 1
. THR 12 12 17028 1
. PRO 13 13 17028 1
. ALA 14 14 17028 1
. SER 15 15 17028 1
. THR 16 16 17028 1
. SER 17 17 17028 1
. VAL 18 18 17028 1
. VAL 19 19 17028 1
. LYS 20 20 17028 1
. GLY 21 21 17028 1
. GLN 22 22 17028 1
. SER 23 23 17028 1
. THR 24 24 17028 1
. THR 25 25 17028 1
. LEU 26 26 17028 1
. THR 27 27 17028 1
. VAL 28 28 17028 1
. ALA 29 29 17028 1
. PHE 30 30 17028 1
. GLN 31 31 17028 1
. PRO 32 32 17028 1
. GLU 33 33 17028 1
. GLY 34 34 17028 1
. VAL 35 35 17028 1
. THR 36 36 17028 1
. ASP 37 37 17028 1
. LYS 38 38 17028 1
. SER 39 39 17028 1
. PHE 40 40 17028 1
. ARG 41 41 17028 1
. ALA 42 42 17028 1
. VAL 43 43 17028 1
. SER 44 44 17028 1
. ALA 45 45 17028 1
. ASP 46 46 17028 1
. LYS 47 47 17028 1
. THR 48 48 17028 1
. LYS 49 49 17028 1
. ALA 50 50 17028 1
. THR 51 51 17028 1
. VAL 52 52 17028 1
. SER 53 53 17028 1
. VAL 54 54 17028 1
. SER 55 55 17028 1
. GLY 56 56 17028 1
. MET 57 57 17028 1
. THR 58 58 17028 1
. ILE 59 59 17028 1
. THR 60 60 17028 1
. VAL 61 61 17028 1
. ASN 62 62 17028 1
. GLY 63 63 17028 1
. VAL 64 64 17028 1
. ALA 65 65 17028 1
. ALA 66 66 17028 1
. GLY 67 67 17028 1
. LYS 68 68 17028 1
. VAL 69 69 17028 1
. ASN 70 70 17028 1
. ILE 71 71 17028 1
. PRO 72 72 17028 1
. VAL 73 73 17028 1
. VAL 74 74 17028 1
. SER 75 75 17028 1
. GLY 76 76 17028 1
. ASN 77 77 17028 1
. GLY 78 78 17028 1
. GLU 79 79 17028 1
. PHE 80 80 17028 1
. ALA 81 81 17028 1
. ALA 82 82 17028 1
. VAL 83 83 17028 1
. ALA 84 84 17028 1
. GLU 85 85 17028 1
. ILE 86 86 17028 1
. THR 87 87 17028 1
. VAL 88 88 17028 1
. THR 89 89 17028 1
. ALA 90 90 17028 1
. SER 91 91 17028 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 17028
_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 $gpV-C . 10710 virus . 'Bacteriophage lambda' 'Bacteriophage lambda' . . Viruses . Bacteriophage lambda . . . . . . . . . . . . . . . . . . . . . 17028 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 17028
_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 $gpV-C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET32b . . . . . . 17028 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 17028
_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 gpV-C '15N, 13C' . . 1 $gpV-C . . . 0.71 2.5 mM . . . . 17028 1
2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17028 1
3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17028 1
4 H20 'natural abundance' . . . . . . 90 . . % . . . . 17028 1
5 D20 'natural abundance' . . . . . . 10 . . % . . . . 17028 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 17028
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17028 2
2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17028 2
3 D20 'natural abundance' . . . . . . 100 . . % . . . . 17028 2
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 17028
_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' 0.2 . M 17028 1
pH 6.8 . pH 17028 1
pressure 1 . atm 17028 1
temperature 298 . K 17028 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 17028
_Software.ID 1
_Software.Name CYANA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 17028 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 17028 1
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 17028
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
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 17028
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 500 . . . 17028 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 17028
_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 . . . . . . . . . . . . . . . . 17028 1
2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1
3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1
4 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1
5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1
6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1
7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1
8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1
9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 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 17028
_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 0.00 na indirect 0.251449530 . . . . . . . . . 17028 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17028 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17028 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 17028
_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' . . . 17028 1
2 '3D CBCA(CO)NH' . . . 17028 1
3 '3D HNCACB' . . . 17028 1
4 '3D HCCH-TOCSY' . . . 17028 1
5 '3D HNCO' . . . 17028 1
6 '3D C(CO)NH' . . . 17028 1
9 '3D H(CCO)NH' . . . 17028 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 2 2 ALA HA H 1 4.367 . . 1 . . . . 157 ALA HA . 17028 1
2 . 1 1 2 2 ALA HB1 H 1 1.387 . . 1 . . . . 157 ALA HB1 . 17028 1
3 . 1 1 2 2 ALA HB2 H 1 1.387 . . 1 . . . . 157 ALA HB1 . 17028 1
4 . 1 1 2 2 ALA HB3 H 1 1.387 . . 1 . . . . 157 ALA HB1 . 17028 1
5 . 1 1 2 2 ALA CA C 13 52.656 . . 1 . . . . 157 ALA CA . 17028 1
6 . 1 1 2 2 ALA CB C 13 19.230 . . 1 . . . . 157 ALA CB . 17028 1
7 . 1 1 3 3 MET H H 1 8.426 . . 1 . . . . 158 MET HN . 17028 1
8 . 1 1 3 3 MET HA H 1 4.474 . . 1 . . . . 158 MET HA . 17028 1
9 . 1 1 3 3 MET HB2 H 1 2.581 . . 2 . . . . 158 MET HB1 . 17028 1
10 . 1 1 3 3 MET HB3 H 1 2.045 . . 2 . . . . 158 MET HB2 . 17028 1
11 . 1 1 3 3 MET HG2 H 1 2.581 . . 2 . . . . 158 MET HG1 . 17028 1
12 . 1 1 3 3 MET HG3 H 1 2.582 . . 2 . . . . 158 MET HG2 . 17028 1
13 . 1 1 3 3 MET C C 13 175.608 . . 1 . . . . 158 MET C . 17028 1
14 . 1 1 3 3 MET CA C 13 55.449 . . 1 . . . . 158 MET CA . 17028 1
15 . 1 1 3 3 MET CB C 13 32.974 . . 1 . . . . 158 MET CB . 17028 1
16 . 1 1 3 3 MET CG C 13 37.853 . . 1 . . . . 158 MET CG . 17028 1
17 . 1 1 3 3 MET N N 15 120.093 . . 1 . . . . 158 MET N . 17028 1
18 . 1 1 4 4 ALA H H 1 8.288 . . 1 . . . . 159 ALA HN . 17028 1
19 . 1 1 4 4 ALA HA H 1 4.397 . . 1 . . . . 159 ALA HA . 17028 1
20 . 1 1 4 4 ALA HB1 H 1 1.325 . . 1 . . . . 159 ALA HB1 . 17028 1
21 . 1 1 4 4 ALA HB2 H 1 1.325 . . 1 . . . . 159 ALA HB1 . 17028 1
22 . 1 1 4 4 ALA HB3 H 1 1.325 . . 1 . . . . 159 ALA HB1 . 17028 1
23 . 1 1 4 4 ALA C C 13 176.517 . . 1 . . . . 159 ALA C . 17028 1
24 . 1 1 4 4 ALA CA C 13 51.836 . . 1 . . . . 159 ALA CA . 17028 1
25 . 1 1 4 4 ALA CB C 13 19.478 . . 1 . . . . 159 ALA CB . 17028 1
26 . 1 1 4 4 ALA N N 15 126.044 . . 1 . . . . 159 ALA N . 17028 1
27 . 1 1 5 5 ALA H H 1 8.100 . . 1 . . . . 160 ALA HN . 17028 1
28 . 1 1 5 5 ALA HA H 1 4.460 . . 1 . . . . 160 ALA HA . 17028 1
29 . 1 1 5 5 ALA HB1 H 1 1.436 . . 1 . . . . 160 ALA HB1 . 17028 1
30 . 1 1 5 5 ALA HB2 H 1 1.436 . . 1 . . . . 160 ALA HB1 . 17028 1
31 . 1 1 5 5 ALA HB3 H 1 1.436 . . 1 . . . . 160 ALA HB1 . 17028 1
32 . 1 1 5 5 ALA C C 13 176.887 . . 1 . . . . 160 ALA C . 17028 1
33 . 1 1 5 5 ALA CA C 13 51.492 . . 1 . . . . 160 ALA CA . 17028 1
34 . 1 1 5 5 ALA CB C 13 20.016 . . 1 . . . . 160 ALA CB . 17028 1
35 . 1 1 5 5 ALA N N 15 124.397 . . 1 . . . . 160 ALA N . 17028 1
36 . 1 1 6 6 ALA H H 1 8.599 . . 1 . . . . 161 ALA HN . 17028 1
37 . 1 1 6 6 ALA HA H 1 4.794 . . 1 . . . . 161 ALA HA . 17028 1
38 . 1 1 6 6 ALA HB1 H 1 1.680 . . 1 . . . . 161 ALA HB1 . 17028 1
39 . 1 1 6 6 ALA HB2 H 1 1.680 . . 1 . . . . 161 ALA HB1 . 17028 1
40 . 1 1 6 6 ALA HB3 H 1 1.680 . . 1 . . . . 161 ALA HB1 . 17028 1
41 . 1 1 6 6 ALA C C 13 178.439 . . 1 . . . . 161 ALA C . 17028 1
42 . 1 1 6 6 ALA CA C 13 52.696 . . 1 . . . . 161 ALA CA . 17028 1
43 . 1 1 6 6 ALA CB C 13 19.813 . . 1 . . . . 161 ALA CB . 17028 1
44 . 1 1 6 6 ALA N N 15 122.502 . . 1 . . . . 161 ALA N . 17028 1
45 . 1 1 7 7 THR H H 1 9.698 . . 1 . . . . 162 THR HN . 17028 1
46 . 1 1 7 7 THR HA H 1 4.595 . . 1 . . . . 162 THR HA . 17028 1
47 . 1 1 7 7 THR HB H 1 4.442 . . 1 . . . . 162 THR HB . 17028 1
48 . 1 1 7 7 THR HG21 H 1 1.235 . . 1 . . . . 162 THR HG21 . 17028 1
49 . 1 1 7 7 THR HG22 H 1 1.235 . . 1 . . . . 162 THR HG21 . 17028 1
50 . 1 1 7 7 THR HG23 H 1 1.235 . . 1 . . . . 162 THR HG21 . 17028 1
51 . 1 1 7 7 THR C C 13 174.754 . . 1 . . . . 162 THR C . 17028 1
52 . 1 1 7 7 THR CA C 13 61.572 . . 1 . . . . 162 THR CA . 17028 1
53 . 1 1 7 7 THR CB C 13 69.775 . . 1 . . . . 162 THR CB . 17028 1
54 . 1 1 7 7 THR CG2 C 13 20.954 . . 1 . . . . 162 THR CG2 . 17028 1
55 . 1 1 7 7 THR N N 15 111.337 . . 1 . . . . 162 THR N . 17028 1
56 . 1 1 8 8 GLY H H 1 7.499 . . 1 . . . . 163 GLY HN . 17028 1
57 . 1 1 8 8 GLY HA2 H 1 3.734 . . 2 . . . . 163 GLY HA1 . 17028 1
58 . 1 1 8 8 GLY HA3 H 1 3.203 . . 2 . . . . 163 GLY HA2 . 17028 1
59 . 1 1 8 8 GLY C C 13 169.372 . . 1 . . . . 163 GLY C . 17028 1
60 . 1 1 8 8 GLY CA C 13 45.364 . . 1 . . . . 163 GLY CA . 17028 1
61 . 1 1 8 8 GLY N N 15 110.831 . . 1 . . . . 163 GLY N . 17028 1
62 . 1 1 9 9 MET H H 1 7.668 . . 1 . . . . 164 MET HN . 17028 1
63 . 1 1 9 9 MET HA H 1 4.689 . . 1 . . . . 164 MET HA . 17028 1
64 . 1 1 9 9 MET HB2 H 1 1.492 . . 1 . . . . 164 MET HB1 . 17028 1
65 . 1 1 9 9 MET HB3 H 1 1.273 . . 2 . . . . 164 MET HB2 . 17028 1
66 . 1 1 9 9 MET HE1 H 1 1.485 . . 1 . . . . 164 MET HE1 . 17028 1
67 . 1 1 9 9 MET HE2 H 1 1.484 . . 1 . . . . 164 MET HE2 . 17028 1
68 . 1 1 9 9 MET HE3 H 1 1.484 . . 1 . . . . 164 MET HE2 . 17028 1
69 . 1 1 9 9 MET HG2 H 1 0.795 . . 1 . . . . 164 MET HG1 . 17028 1
70 . 1 1 9 9 MET HG3 H 1 1.404 . . 2 . . . . 164 MET HG2 . 17028 1
71 . 1 1 9 9 MET C C 13 174.332 . . 1 . . . . 164 MET C . 17028 1
72 . 1 1 9 9 MET CA C 13 54.839 . . 1 . . . . 164 MET CA . 17028 1
73 . 1 1 9 9 MET CB C 13 37.148 . . 1 . . . . 164 MET CB . 17028 1
74 . 1 1 9 9 MET CE C 13 17.226 . . 1 . . . . 164 MET CE . 17028 1
75 . 1 1 9 9 MET CG C 13 31.079 . . 1 . . . . 164 MET CG . 17028 1
76 . 1 1 9 9 MET N N 15 118.729 . . 1 . . . . 164 MET N . 17028 1
77 . 1 1 10 10 THR H H 1 9.003 . . 1 . . . . 165 THR HN . 17028 1
78 . 1 1 10 10 THR HA H 1 4.495 . . 1 . . . . 165 THR HA . 17028 1
79 . 1 1 10 10 THR HB H 1 3.983 . . 1 . . . . 165 THR HB . 17028 1
80 . 1 1 10 10 THR HG21 H 1 0.989 . . 1 . . . . 165 THR HG21 . 17028 1
81 . 1 1 10 10 THR HG22 H 1 0.989 . . 1 . . . . 165 THR HG21 . 17028 1
82 . 1 1 10 10 THR HG23 H 1 0.989 . . 1 . . . . 165 THR HG21 . 17028 1
83 . 1 1 10 10 THR C C 13 172.541 . . 1 . . . . 165 THR C . 17028 1
84 . 1 1 10 10 THR CA C 13 59.257 . . 1 . . . . 165 THR CA . 17028 1
85 . 1 1 10 10 THR CB C 13 72.388 . . 1 . . . . 165 THR CB . 17028 1
86 . 1 1 10 10 THR CG2 C 13 20.516 . . 1 . . . . 165 THR CG2 . 17028 1
87 . 1 1 10 10 THR N N 15 115.678 . . 1 . . . . 165 THR N . 17028 1
88 . 1 1 11 11 VAL H H 1 8.140 . . 1 . . . . 166 VAL HN . 17028 1
89 . 1 1 11 11 VAL HA H 1 4.572 . . 1 . . . . 166 VAL HA . 17028 1
90 . 1 1 11 11 VAL HB H 1 1.526 . . 1 . . . . 166 VAL HB . 17028 1
91 . 1 1 11 11 VAL HG11 H 1 0.626 . . 4 . . . . 166 VAL HG11 . 17028 1
92 . 1 1 11 11 VAL HG12 H 1 0.626 . . 4 . . . . 166 VAL HG11 . 17028 1
93 . 1 1 11 11 VAL HG13 H 1 0.626 . . 4 . . . . 166 VAL HG11 . 17028 1
94 . 1 1 11 11 VAL HG21 H 1 0.682 . . 4 . . . . 166 VAL HG21 . 17028 1
95 . 1 1 11 11 VAL HG22 H 1 0.682 . . 4 . . . . 166 VAL HG21 . 17028 1
96 . 1 1 11 11 VAL HG23 H 1 0.682 . . 4 . . . . 166 VAL HG21 . 17028 1
97 . 1 1 11 11 VAL C C 13 173.672 . . 1 . . . . 166 VAL C . 17028 1
98 . 1 1 11 11 VAL CA C 13 60.257 . . 1 . . . . 166 VAL CA . 17028 1
99 . 1 1 11 11 VAL CB C 13 34.456 . . 1 . . . . 166 VAL CB . 17028 1
100 . 1 1 11 11 VAL CG1 C 13 22.540 . . 2 . . . . 166 VAL CG1 . 17028 1
101 . 1 1 11 11 VAL CG2 C 13 20.945 . . 1 . . . . 166 VAL CG2 . 17028 1
102 . 1 1 11 11 VAL N N 15 119.434 . . 1 . . . . 166 VAL N . 17028 1
103 . 1 1 12 12 THR H H 1 8.395 . . 1 . . . . 167 THR HN . 17028 1
104 . 1 1 12 12 THR HB H 1 3.828 . . 1 . . . . 167 THR HB . 17028 1
105 . 1 1 12 12 THR CA C 13 58.754 . . 1 . . . . 167 THR CA . 17028 1
106 . 1 1 12 12 THR CB C 13 71.882 . . 1 . . . . 167 THR CB . 17028 1
107 . 1 1 12 12 THR N N 15 120.496 . . 1 . . . . 167 THR N . 17028 1
108 . 1 1 13 13 PRO HA H 1 4.815 . . 1 . . . . 168 PRO HA . 17028 1
109 . 1 1 13 13 PRO HB2 H 1 2.539 . . 2 . . . . 168 PRO HB1 . 17028 1
110 . 1 1 13 13 PRO HB3 H 1 2.152 . . 2 . . . . 168 PRO HB2 . 17028 1
111 . 1 1 13 13 PRO HD2 H 1 4.062 . . 2 . . . . 168 PRO HD1 . 17028 1
112 . 1 1 13 13 PRO HD3 H 1 3.527 . . 2 . . . . 168 PRO HD2 . 17028 1
113 . 1 1 13 13 PRO HG2 H 1 2.044 . . 2 . . . . 168 PRO HG1 . 17028 1
114 . 1 1 13 13 PRO HG3 H 1 1.722 . . 2 . . . . 168 PRO HG2 . 17028 1
115 . 1 1 13 13 PRO C C 13 173.712 . . 1 . . . . 168 PRO C . 17028 1
116 . 1 1 13 13 PRO CA C 13 63.238 . . 1 . . . . 168 PRO CA . 17028 1
117 . 1 1 13 13 PRO CB C 13 34.695 . . 1 . . . . 168 PRO CB . 17028 1
118 . 1 1 13 13 PRO CD C 13 50.459 . . 1 . . . . 168 PRO CD . 17028 1
119 . 1 1 13 13 PRO CG C 13 25.243 . . 1 . . . . 168 PRO CG . 17028 1
120 . 1 1 14 14 ALA H H 1 8.401 . . 1 . . . . 169 ALA HN . 17028 1
121 . 1 1 14 14 ALA HA H 1 4.178 . . 1 . . . . 169 ALA HA . 17028 1
122 . 1 1 14 14 ALA HB1 H 1 1.549 . . 1 . . . . 169 ALA HB1 . 17028 1
123 . 1 1 14 14 ALA HB2 H 1 1.549 . . 1 . . . . 169 ALA HB1 . 17028 1
124 . 1 1 14 14 ALA HB3 H 1 1.549 . . 1 . . . . 169 ALA HB1 . 17028 1
125 . 1 1 14 14 ALA C C 13 178.050 . . 1 . . . . 169 ALA C . 17028 1
126 . 1 1 14 14 ALA CA C 13 53.882 . . 1 . . . . 169 ALA CA . 17028 1
127 . 1 1 14 14 ALA CB C 13 18.929 . . 1 . . . . 169 ALA CB . 17028 1
128 . 1 1 14 14 ALA N N 15 119.536 . . 1 . . . . 169 ALA N . 17028 1
129 . 1 1 15 15 SER H H 1 7.452 . . 1 . . . . 170 SER HN . 17028 1
130 . 1 1 15 15 SER HA H 1 5.498 . . 1 . . . . 170 SER HA . 17028 1
131 . 1 1 15 15 SER HB2 H 1 3.824 . . 2 . . . . 170 SER HB1 . 17028 1
132 . 1 1 15 15 SER HB3 H 1 3.823 . . 2 . . . . 170 SER HB2 . 17028 1
133 . 1 1 15 15 SER C C 13 173.745 . . 1 . . . . 170 SER C . 17028 1
134 . 1 1 15 15 SER CA C 13 56.291 . . 1 . . . . 170 SER CA . 17028 1
135 . 1 1 15 15 SER CB C 13 64.633 . . 1 . . . . 170 SER CB . 17028 1
136 . 1 1 15 15 SER N N 15 110.297 . . 1 . . . . 170 SER N . 17028 1
137 . 1 1 16 16 THR H H 1 8.286 . . 1 . . . . 171 THR HN . 17028 1
138 . 1 1 16 16 THR HA H 1 4.719 . . 1 . . . . 171 THR HA . 17028 1
139 . 1 1 16 16 THR HB H 1 4.189 . . 1 . . . . 171 THR HB . 17028 1
140 . 1 1 16 16 THR HG21 H 1 0.893 . . 1 . . . . 171 THR HG21 . 17028 1
141 . 1 1 16 16 THR HG22 H 1 0.893 . . 1 . . . . 171 THR HG21 . 17028 1
142 . 1 1 16 16 THR HG23 H 1 0.893 . . 1 . . . . 171 THR HG21 . 17028 1
143 . 1 1 16 16 THR C C 13 171.485 . . 1 . . . . 171 THR C . 17028 1
144 . 1 1 16 16 THR CA C 13 60.683 . . 1 . . . . 171 THR CA . 17028 1
145 . 1 1 16 16 THR CB C 13 68.164 . . 1 . . . . 171 THR CB . 17028 1
146 . 1 1 16 16 THR CG2 C 13 18.328 . . 1 . . . . 171 THR CG2 . 17028 1
147 . 1 1 16 16 THR N N 15 116.575 . . 1 . . . . 171 THR N . 17028 1
148 . 1 1 17 17 SER H H 1 8.239 . . 1 . . . . 172 SER HN . 17028 1
149 . 1 1 17 17 SER HA H 1 5.916 . . 1 . . . . 172 SER HA . 17028 1
150 . 1 1 17 17 SER HB2 H 1 3.786 . . 2 . . . . 172 SER HB1 . 17028 1
151 . 1 1 17 17 SER HB3 H 1 3.785 . . 2 . . . . 172 SER HB2 . 17028 1
152 . 1 1 17 17 SER C C 13 172.219 . . 1 . . . . 172 SER C . 17028 1
153 . 1 1 17 17 SER CA C 13 56.245 . . 1 . . . . 172 SER CA . 17028 1
154 . 1 1 17 17 SER CB C 13 66.300 . . 1 . . . . 172 SER CB . 17028 1
155 . 1 1 17 17 SER N N 15 117.427 . . 1 . . . . 172 SER N . 17028 1
156 . 1 1 18 18 VAL H H 1 8.892 . . 1 . . . . 173 VAL HN . 17028 1
157 . 1 1 18 18 VAL HA H 1 4.431 . . 1 . . . . 173 VAL HA . 17028 1
158 . 1 1 18 18 VAL HB H 1 1.777 . . 1 . . . . 173 VAL HB . 17028 1
159 . 1 1 18 18 VAL HG11 H 1 0.639 . . 4 . . . . 173 VAL HG11 . 17028 1
160 . 1 1 18 18 VAL HG12 H 1 0.639 . . 4 . . . . 173 VAL HG11 . 17028 1
161 . 1 1 18 18 VAL HG13 H 1 0.639 . . 4 . . . . 173 VAL HG11 . 17028 1
162 . 1 1 18 18 VAL HG21 H 1 0.889 . . 4 . . . . 173 VAL HG21 . 17028 1
163 . 1 1 18 18 VAL HG22 H 1 0.889 . . 4 . . . . 173 VAL HG21 . 17028 1
164 . 1 1 18 18 VAL HG23 H 1 0.889 . . 4 . . . . 173 VAL HG21 . 17028 1
165 . 1 1 18 18 VAL C C 13 171.570 . . 1 . . . . 173 VAL C . 17028 1
166 . 1 1 18 18 VAL CA C 13 59.460 . . 1 . . . . 173 VAL CA . 17028 1
167 . 1 1 18 18 VAL CB C 13 35.443 . . 1 . . . . 173 VAL CB . 17028 1
168 . 1 1 18 18 VAL CG1 C 13 19.846 . . 2 . . . . 173 VAL CG1 . 17028 1
169 . 1 1 18 18 VAL CG2 C 13 19.846 . . 2 . . . . 173 VAL CG2 . 17028 1
170 . 1 1 18 18 VAL N N 15 121.471 . . 1 . . . . 173 VAL N . 17028 1
171 . 1 1 19 19 VAL H H 1 8.076 . . 1 . . . . 174 VAL HN . 17028 1
172 . 1 1 19 19 VAL HA H 1 4.181 . . 1 . . . . 174 VAL HA . 17028 1
173 . 1 1 19 19 VAL HB H 1 1.505 . . 1 . . . . 174 VAL HB . 17028 1
174 . 1 1 19 19 VAL HG11 H 1 0.832 . . 4 . . . . 174 VAL HG11 . 17028 1
175 . 1 1 19 19 VAL HG12 H 1 0.832 . . 4 . . . . 174 VAL HG11 . 17028 1
176 . 1 1 19 19 VAL HG13 H 1 0.832 . . 4 . . . . 174 VAL HG11 . 17028 1
177 . 1 1 19 19 VAL HG21 H 1 0.833 . . 4 . . . . 174 VAL HG21 . 17028 1
178 . 1 1 19 19 VAL HG22 H 1 0.833 . . 4 . . . . 174 VAL HG21 . 17028 1
179 . 1 1 19 19 VAL HG23 H 1 0.833 . . 4 . . . . 174 VAL HG21 . 17028 1
180 . 1 1 19 19 VAL C C 13 176.004 . . 1 . . . . 174 VAL C . 17028 1
181 . 1 1 19 19 VAL CA C 13 61.812 . . 1 . . . . 174 VAL CA . 17028 1
182 . 1 1 19 19 VAL CB C 13 32.474 . . 1 . . . . 174 VAL CB . 17028 1
183 . 1 1 19 19 VAL CG1 C 13 21.416 . . 2 . . . . 174 VAL CG1 . 17028 1
184 . 1 1 19 19 VAL CG2 C 13 21.416 . . 2 . . . . 174 VAL CG2 . 17028 1
185 . 1 1 19 19 VAL N N 15 128.646 . . 1 . . . . 174 VAL N . 17028 1
186 . 1 1 20 20 LYS H H 1 8.598 . . 1 . . . . 175 LYS HN . 17028 1
187 . 1 1 20 20 LYS HA H 1 3.362 . . 1 . . . . 175 LYS HA . 17028 1
188 . 1 1 20 20 LYS HB2 H 1 1.516 . . 2 . . . . 175 LYS HB1 . 17028 1
189 . 1 1 20 20 LYS HB3 H 1 1.517 . . 2 . . . . 175 LYS HB2 . 17028 1
190 . 1 1 20 20 LYS HD2 H 1 1.676 . . 2 . . . . 175 LYS HD1 . 17028 1
191 . 1 1 20 20 LYS HD3 H 1 1.675 . . 2 . . . . 175 LYS HD2 . 17028 1
192 . 1 1 20 20 LYS HE2 H 1 3.108 . . 2 . . . . 175 LYS HE1 . 17028 1
193 . 1 1 20 20 LYS HE3 H 1 3.107 . . 2 . . . . 175 LYS HE2 . 17028 1
194 . 1 1 20 20 LYS HG2 H 1 1.239 . . 2 . . . . 175 LYS HG1 . 17028 1
195 . 1 1 20 20 LYS HG3 H 1 1.238 . . 2 . . . . 175 LYS HG2 . 17028 1
196 . 1 1 20 20 LYS C C 13 176.137 . . 1 . . . . 175 LYS C . 17028 1
197 . 1 1 20 20 LYS CA C 13 58.861 . . 1 . . . . 175 LYS CA . 17028 1
198 . 1 1 20 20 LYS CB C 13 32.685 . . 1 . . . . 175 LYS CB . 17028 1
199 . 1 1 20 20 LYS CD C 13 30.449 . . 1 . . . . 175 LYS CD . 17028 1
200 . 1 1 20 20 LYS CE C 13 41.990 . . 1 . . . . 175 LYS CE . 17028 1
201 . 1 1 20 20 LYS CG C 13 23.656 . . 1 . . . . 175 LYS CG . 17028 1
202 . 1 1 20 20 LYS N N 15 125.468 . . 1 . . . . 175 LYS N . 17028 1
203 . 1 1 21 21 GLY H H 1 8.748 . . 1 . . . . 176 GLY HN . 17028 1
204 . 1 1 21 21 GLY HA2 H 1 4.344 . . 2 . . . . 176 GLY HA1 . 17028 1
205 . 1 1 21 21 GLY HA3 H 1 3.750 . . 2 . . . . 176 GLY HA2 . 17028 1
206 . 1 1 21 21 GLY C C 13 173.794 . . 1 . . . . 176 GLY C . 17028 1
207 . 1 1 21 21 GLY CA C 13 45.054 . . 1 . . . . 176 GLY CA . 17028 1
208 . 1 1 21 21 GLY N N 15 114.658 . . 1 . . . . 176 GLY N . 17028 1
209 . 1 1 22 22 GLN H H 1 8.578 . . 1 . . . . 177 GLN HN . 17028 1
210 . 1 1 22 22 GLN HA H 1 4.736 . . 1 . . . . 177 GLN HA . 17028 1
211 . 1 1 22 22 GLN HB2 H 1 2.412 . . 2 . . . . 177 GLN HB1 . 17028 1
212 . 1 1 22 22 GLN HB3 H 1 2.227 . . 2 . . . . 177 GLN HB2 . 17028 1
213 . 1 1 22 22 GLN HE21 H 1 7.584 . . 2 . . . . 177 GLN HE21 . 17028 1
214 . 1 1 22 22 GLN HE22 H 1 6.910 . . 2 . . . . 177 GLN HE22 . 17028 1
215 . 1 1 22 22 GLN HG2 H 1 2.287 . . 2 . . . . 177 GLN HG1 . 17028 1
216 . 1 1 22 22 GLN HG3 H 1 2.286 . . 2 . . . . 177 GLN HG2 . 17028 1
217 . 1 1 22 22 GLN C C 13 173.797 . . 1 . . . . 177 GLN C . 17028 1
218 . 1 1 22 22 GLN CA C 13 53.895 . . 1 . . . . 177 GLN CA . 17028 1
219 . 1 1 22 22 GLN CB C 13 30.244 . . 1 . . . . 177 GLN CB . 17028 1
220 . 1 1 22 22 GLN CG C 13 33.750 . . 1 . . . . 177 GLN CG . 17028 1
221 . 1 1 22 22 GLN N N 15 120.192 . . 1 . . . . 177 GLN N . 17028 1
222 . 1 1 22 22 GLN NE2 N 15 112.693 . . 1 . . . . 177 GLN NE2 . 17028 1
223 . 1 1 23 23 SER H H 1 8.239 . . 1 . . . . 178 SER HN . 17028 1
224 . 1 1 23 23 SER HA H 1 5.948 . . 1 . . . . 178 SER HA . 17028 1
225 . 1 1 23 23 SER HB2 H 1 3.794 . . 2 . . . . 178 SER HB1 . 17028 1
226 . 1 1 23 23 SER HB3 H 1 3.589 . . 2 . . . . 178 SER HB2 . 17028 1
227 . 1 1 23 23 SER C C 13 173.990 . . 1 . . . . 178 SER C . 17028 1
228 . 1 1 23 23 SER CA C 13 56.538 . . 1 . . . . 178 SER CA . 17028 1
229 . 1 1 23 23 SER CB C 13 66.812 . . 1 . . . . 178 SER CB . 17028 1
230 . 1 1 23 23 SER N N 15 112.520 . . 1 . . . . 178 SER N . 17028 1
231 . 1 1 24 24 THR H H 1 8.909 . . 1 . . . . 179 THR HN . 17028 1
232 . 1 1 24 24 THR HA H 1 4.862 . . 1 . . . . 179 THR HA . 17028 1
233 . 1 1 24 24 THR HB H 1 4.056 . . 1 . . . . 179 THR HB . 17028 1
234 . 1 1 24 24 THR HG21 H 1 0.874 . . 1 . . . . 179 THR HG21 . 17028 1
235 . 1 1 24 24 THR HG22 H 1 0.874 . . 1 . . . . 179 THR HG21 . 17028 1
236 . 1 1 24 24 THR HG23 H 1 0.874 . . 1 . . . . 179 THR HG21 . 17028 1
237 . 1 1 24 24 THR C C 13 172.030 . . 1 . . . . 179 THR C . 17028 1
238 . 1 1 24 24 THR CA C 13 59.992 . . 1 . . . . 179 THR CA . 17028 1
239 . 1 1 24 24 THR CB C 13 69.666 . . 1 . . . . 179 THR CB . 17028 1
240 . 1 1 24 24 THR CG2 C 13 18.054 . . 1 . . . . 179 THR CG2 . 17028 1
241 . 1 1 24 24 THR N N 15 116.545 . . 1 . . . . 179 THR N . 17028 1
242 . 1 1 25 25 THR H H 1 7.840 . . 1 . . . . 180 THR HN . 17028 1
243 . 1 1 25 25 THR HA H 1 5.588 . . 1 . . . . 180 THR HA . 17028 1
244 . 1 1 25 25 THR HB H 1 3.963 . . 1 . . . . 180 THR HB . 17028 1
245 . 1 1 25 25 THR HG21 H 1 1.125 . . 1 . . . . 180 THR HG21 . 17028 1
246 . 1 1 25 25 THR HG22 H 1 1.125 . . 1 . . . . 180 THR HG21 . 17028 1
247 . 1 1 25 25 THR HG23 H 1 1.125 . . 1 . . . . 180 THR HG21 . 17028 1
248 . 1 1 25 25 THR C C 13 173.417 . . 1 . . . . 180 THR C . 17028 1
249 . 1 1 25 25 THR CA C 13 60.242 . . 1 . . . . 180 THR CA . 17028 1
250 . 1 1 25 25 THR CB C 13 71.722 . . 1 . . . . 180 THR CB . 17028 1
251 . 1 1 25 25 THR CG2 C 13 21.670 . . 1 . . . . 180 THR CG2 . 17028 1
252 . 1 1 25 25 THR N N 15 113.872 . . 1 . . . . 180 THR N . 17028 1
253 . 1 1 26 26 LEU H H 1 9.398 . . 1 . . . . 181 LEU HN . 17028 1
254 . 1 1 26 26 LEU HA H 1 5.038 . . 1 . . . . 181 LEU HA . 17028 1
255 . 1 1 26 26 LEU HB2 H 1 1.495 . . 2 . . . . 181 LEU HB1 . 17028 1
256 . 1 1 26 26 LEU HB3 H 1 1.253 . . 2 . . . . 181 LEU HB2 . 17028 1
257 . 1 1 26 26 LEU HD11 H 1 0.507 . . 2 . . . . 181 LEU HD11 . 17028 1
258 . 1 1 26 26 LEU HD12 H 1 0.507 . . 2 . . . . 181 LEU HD11 . 17028 1
259 . 1 1 26 26 LEU HD13 H 1 0.507 . . 2 . . . . 181 LEU HD11 . 17028 1
260 . 1 1 26 26 LEU HD21 H 1 0.508 . . 2 . . . . 181 LEU HD21 . 17028 1
261 . 1 1 26 26 LEU HD22 H 1 0.508 . . 2 . . . . 181 LEU HD21 . 17028 1
262 . 1 1 26 26 LEU HD23 H 1 0.508 . . 2 . . . . 181 LEU HD21 . 17028 1
263 . 1 1 26 26 LEU HG H 1 0.735 . . 1 . . . . 181 LEU HG . 17028 1
264 . 1 1 26 26 LEU C C 13 176.265 . . 1 . . . . 181 LEU C . 17028 1
265 . 1 1 26 26 LEU CA C 13 52.560 . . 1 . . . . 181 LEU CA . 17028 1
266 . 1 1 26 26 LEU CB C 13 44.509 . . 1 . . . . 181 LEU CB . 17028 1
267 . 1 1 26 26 LEU CD1 C 13 27.423 . . 2 . . . . 181 LEU CD1 . 17028 1
268 . 1 1 26 26 LEU CD2 C 13 25.579 . . 2 . . . . 181 LEU CD2 . 17028 1
269 . 1 1 26 26 LEU CG C 13 22.333 . . 1 . . . . 181 LEU CG . 17028 1
270 . 1 1 26 26 LEU N N 15 122.108 . . 1 . . . . 181 LEU N . 17028 1
271 . 1 1 27 27 THR H H 1 9.058 . . 1 . . . . 182 THR HN . 17028 1
272 . 1 1 27 27 THR HA H 1 4.966 . . 1 . . . . 182 THR HA . 17028 1
273 . 1 1 27 27 THR HB H 1 3.805 . . 1 . . . . 182 THR HB . 17028 1
274 . 1 1 27 27 THR HG21 H 1 1.083 . . 1 . . . . 182 THR HG21 . 17028 1
275 . 1 1 27 27 THR HG22 H 1 1.083 . . 1 . . . . 182 THR HG21 . 17028 1
276 . 1 1 27 27 THR HG23 H 1 1.083 . . 1 . . . . 182 THR HG21 . 17028 1
277 . 1 1 27 27 THR C C 13 174.072 . . 1 . . . . 182 THR C . 17028 1
278 . 1 1 27 27 THR CA C 13 62.353 . . 1 . . . . 182 THR CA . 17028 1
279 . 1 1 27 27 THR CB C 13 70.907 . . 1 . . . . 182 THR CB . 17028 1
280 . 1 1 27 27 THR CG2 C 13 21.062 . . 1 . . . . 182 THR CG2 . 17028 1
281 . 1 1 27 27 THR N N 15 116.707 . . 1 . . . . 182 THR N . 17028 1
282 . 1 1 28 28 VAL H H 1 9.043 . . 1 . . . . 183 VAL HN . 17028 1
283 . 1 1 28 28 VAL HA H 1 4.390 . . 1 . . . . 183 VAL HA . 17028 1
284 . 1 1 28 28 VAL HB H 1 1.328 . . 1 . . . . 183 VAL HB . 17028 1
285 . 1 1 28 28 VAL HG11 H 1 -0.018 . . 4 . . . . 183 VAL HG11 . 17028 1
286 . 1 1 28 28 VAL HG12 H 1 -0.018 . . 4 . . . . 183 VAL HG11 . 17028 1
287 . 1 1 28 28 VAL HG13 H 1 -0.018 . . 4 . . . . 183 VAL HG11 . 17028 1
288 . 1 1 28 28 VAL HG21 H 1 0.042 . . 4 . . . . 183 VAL HG21 . 17028 1
289 . 1 1 28 28 VAL HG22 H 1 0.042 . . 4 . . . . 183 VAL HG21 . 17028 1
290 . 1 1 28 28 VAL HG23 H 1 0.042 . . 4 . . . . 183 VAL HG21 . 17028 1
291 . 1 1 28 28 VAL C C 13 173.353 . . 1 . . . . 183 VAL C . 17028 1
292 . 1 1 28 28 VAL CA C 13 61.551 . . 1 . . . . 183 VAL CA . 17028 1
293 . 1 1 28 28 VAL CB C 13 32.367 . . 1 . . . . 183 VAL CB . 17028 1
294 . 1 1 28 28 VAL CG1 C 13 20.945 . . 1 . . . . 183 VAL CG1 . 17028 1
295 . 1 1 28 28 VAL CG2 C 13 22.873 . . 2 . . . . 183 VAL CG2 . 17028 1
296 . 1 1 28 28 VAL N N 15 132.157 . . 1 . . . . 183 VAL N . 17028 1
297 . 1 1 29 29 ALA H H 1 8.326 . . 1 . . . . 184 ALA HN . 17028 1
298 . 1 1 29 29 ALA HA H 1 4.623 . . 1 . . . . 184 ALA HA . 17028 1
299 . 1 1 29 29 ALA HB1 H 1 1.132 . . 1 . . . . 184 ALA HB1 . 17028 1
300 . 1 1 29 29 ALA HB2 H 1 1.132 . . 1 . . . . 184 ALA HB1 . 17028 1
301 . 1 1 29 29 ALA HB3 H 1 1.132 . . 1 . . . . 184 ALA HB1 . 17028 1
302 . 1 1 29 29 ALA C C 13 174.674 . . 1 . . . . 184 ALA C . 17028 1
303 . 1 1 29 29 ALA CA C 13 51.031 . . 1 . . . . 184 ALA CA . 17028 1
304 . 1 1 29 29 ALA CB C 13 22.683 . . 1 . . . . 184 ALA CB . 17028 1
305 . 1 1 29 29 ALA N N 15 126.900 . . 1 . . . . 184 ALA N . 17028 1
306 . 1 1 30 30 PHE H H 1 8.709 . . 1 . . . . 185 PHE HN . 17028 1
307 . 1 1 30 30 PHE HA H 1 4.861 . . 1 . . . . 185 PHE HA . 17028 1
308 . 1 1 30 30 PHE HB2 H 1 2.883 . . 2 . . . . 185 PHE HB1 . 17028 1
309 . 1 1 30 30 PHE HB3 H 1 2.699 . . 2 . . . . 185 PHE HB2 . 17028 1
310 . 1 1 30 30 PHE HD1 H 1 7.141 . . 3 . . . . 185 PHE HD1 . 17028 1
311 . 1 1 30 30 PHE HD2 H 1 7.141 . . 3 . . . . 185 PHE HD2 . 17028 1
312 . 1 1 30 30 PHE C C 13 174.670 . . 1 . . . . 185 PHE C . 17028 1
313 . 1 1 30 30 PHE CA C 13 57.039 . . 1 . . . . 185 PHE CA . 17028 1
314 . 1 1 30 30 PHE CB C 13 42.280 . . 1 . . . . 185 PHE CB . 17028 1
315 . 1 1 30 30 PHE CD1 C 13 130.074 . . 3 . . . . 185 PHE CD1 . 17028 1
316 . 1 1 30 30 PHE CD2 C 13 130.074 . . 3 . . . . 185 PHE CD2 . 17028 1
317 . 1 1 30 30 PHE N N 15 118.760 . . 1 . . . . 185 PHE N . 17028 1
318 . 1 1 31 31 GLN H H 1 7.960 . . 1 . . . . 186 GLN HN . 17028 1
319 . 1 1 31 31 GLN HA H 1 4.451 . . 1 . . . . 186 GLN HA . 17028 1
320 . 1 1 31 31 GLN HB2 H 1 1.740 . . 2 . . . . 186 GLN HB1 . 17028 1
321 . 1 1 31 31 GLN HB3 H 1 1.615 . . 2 . . . . 186 GLN HB2 . 17028 1
322 . 1 1 31 31 GLN HE21 H 1 7.061 . . 2 . . . . 186 GLN HE21 . 17028 1
323 . 1 1 31 31 GLN HE22 H 1 6.005 . . 2 . . . . 186 GLN HE22 . 17028 1
324 . 1 1 31 31 GLN HG2 H 1 2.147 . . 2 . . . . 186 GLN HG1 . 17028 1
325 . 1 1 31 31 GLN HG3 H 1 2.021 . . 2 . . . . 186 GLN HG2 . 17028 1
326 . 1 1 31 31 GLN CA C 13 53.763 . . 1 . . . . 186 GLN CA . 17028 1
327 . 1 1 31 31 GLN CB C 13 30.258 . . 1 . . . . 186 GLN CB . 17028 1
328 . 1 1 31 31 GLN CG C 13 34.225 . . 1 . . . . 186 GLN CG . 17028 1
329 . 1 1 31 31 GLN N N 15 119.249 . . 1 . . . . 186 GLN N . 17028 1
330 . 1 1 31 31 GLN NE2 N 15 110.647 . . 1 . . . . 186 GLN NE2 . 17028 1
331 . 1 1 32 32 PRO HA H 1 4.689 . . 1 . . . . 187 PRO HA . 17028 1
332 . 1 1 32 32 PRO HB2 H 1 2.356 . . 2 . . . . 187 PRO HB1 . 17028 1
333 . 1 1 32 32 PRO HB3 H 1 2.355 . . 2 . . . . 187 PRO HB2 . 17028 1
334 . 1 1 32 32 PRO HD2 H 1 3.642 . . 2 . . . . 187 PRO HD1 . 17028 1
335 . 1 1 32 32 PRO HD3 H 1 3.641 . . 2 . . . . 187 PRO HD2 . 17028 1
336 . 1 1 32 32 PRO HG2 H 1 1.967 . . 2 . . . . 187 PRO HG1 . 17028 1
337 . 1 1 32 32 PRO HG3 H 1 1.585 . . 2 . . . . 187 PRO HG2 . 17028 1
338 . 1 1 32 32 PRO C C 13 175.247 . . 1 . . . . 187 PRO C . 17028 1
339 . 1 1 32 32 PRO CA C 13 62.558 . . 1 . . . . 187 PRO CA . 17028 1
340 . 1 1 32 32 PRO CB C 13 34.748 . . 1 . . . . 187 PRO CB . 17028 1
341 . 1 1 32 32 PRO CD C 13 49.885 . . 1 . . . . 187 PRO CD . 17028 1
342 . 1 1 32 32 PRO CG C 13 24.782 . . 1 . . . . 187 PRO CG . 17028 1
343 . 1 1 33 33 GLU H H 1 8.373 . . 1 . . . . 188 GLU HN . 17028 1
344 . 1 1 33 33 GLU HA H 1 4.205 . . 1 . . . . 188 GLU HA . 17028 1
345 . 1 1 33 33 GLU HB2 H 1 2.036 . . 2 . . . . 188 GLU HB1 . 17028 1
346 . 1 1 33 33 GLU HB3 H 1 2.037 . . 2 . . . . 188 GLU HB2 . 17028 1
347 . 1 1 33 33 GLU HG2 H 1 2.359 . . 2 . . . . 188 GLU HG1 . 17028 1
348 . 1 1 33 33 GLU HG3 H 1 2.364 . . 2 . . . . 188 GLU HG2 . 17028 1
349 . 1 1 33 33 GLU C C 13 177.814 . . 1 . . . . 188 GLU C . 17028 1
350 . 1 1 33 33 GLU CA C 13 58.576 . . 1 . . . . 188 GLU CA . 17028 1
351 . 1 1 33 33 GLU CB C 13 29.678 . . 1 . . . . 188 GLU CB . 17028 1
352 . 1 1 33 33 GLU CG C 13 36.420 . . 1 . . . . 188 GLU CG . 17028 1
353 . 1 1 33 33 GLU N N 15 117.395 . . 1 . . . . 188 GLU N . 17028 1
354 . 1 1 34 34 GLY H H 1 8.489 . . 1 . . . . 189 GLY HN . 17028 1
355 . 1 1 34 34 GLY HA2 H 1 4.004 . . 2 . . . . 189 GLY HA1 . 17028 1
356 . 1 1 34 34 GLY HA3 H 1 3.830 . . 2 . . . . 189 GLY HA2 . 17028 1
357 . 1 1 34 34 GLY C C 13 174.712 . . 1 . . . . 189 GLY C . 17028 1
358 . 1 1 34 34 GLY CA C 13 45.423 . . 1 . . . . 189 GLY CA . 17028 1
359 . 1 1 34 34 GLY N N 15 109.215 . . 1 . . . . 189 GLY N . 17028 1
360 . 1 1 35 35 VAL H H 1 7.220 . . 1 . . . . 190 VAL HN . 17028 1
361 . 1 1 35 35 VAL HA H 1 3.988 . . 1 . . . . 190 VAL HA . 17028 1
362 . 1 1 35 35 VAL HB H 1 2.019 . . 1 . . . . 190 VAL HB . 17028 1
363 . 1 1 35 35 VAL HG11 H 1 0.771 . . 4 . . . . 190 VAL HG11 . 17028 1
364 . 1 1 35 35 VAL HG12 H 1 0.771 . . 4 . . . . 190 VAL HG11 . 17028 1
365 . 1 1 35 35 VAL HG13 H 1 0.771 . . 4 . . . . 190 VAL HG11 . 17028 1
366 . 1 1 35 35 VAL HG21 H 1 0.896 . . 4 . . . . 190 VAL HG21 . 17028 1
367 . 1 1 35 35 VAL HG22 H 1 0.896 . . 4 . . . . 190 VAL HG21 . 17028 1
368 . 1 1 35 35 VAL HG23 H 1 0.896 . . 4 . . . . 190 VAL HG21 . 17028 1
369 . 1 1 35 35 VAL C C 13 176.603 . . 1 . . . . 190 VAL C . 17028 1
370 . 1 1 35 35 VAL CA C 13 62.917 . . 1 . . . . 190 VAL CA . 17028 1
371 . 1 1 35 35 VAL CB C 13 32.728 . . 1 . . . . 190 VAL CB . 17028 1
372 . 1 1 35 35 VAL CG1 C 13 21.327 . . 2 . . . . 190 VAL CG1 . 17028 1
373 . 1 1 35 35 VAL CG2 C 13 21.327 . . 2 . . . . 190 VAL CG2 . 17028 1
374 . 1 1 35 35 VAL N N 15 119.053 . . 1 . . . . 190 VAL N . 17028 1
375 . 1 1 36 36 THR H H 1 8.211 . . 1 . . . . 191 THR HN . 17028 1
376 . 1 1 36 36 THR HA H 1 4.154 . . 1 . . . . 191 THR HA . 17028 1
377 . 1 1 36 36 THR HG21 H 1 1.247 . . 1 . . . . 191 THR HG21 . 17028 1
378 . 1 1 36 36 THR HG22 H 1 1.247 . . 1 . . . . 191 THR HG21 . 17028 1
379 . 1 1 36 36 THR HG23 H 1 1.247 . . 1 . . . . 191 THR HG21 . 17028 1
380 . 1 1 36 36 THR C C 13 174.707 . . 1 . . . . 191 THR C . 17028 1
381 . 1 1 36 36 THR CA C 13 64.127 . . 1 . . . . 191 THR CA . 17028 1
382 . 1 1 36 36 THR CB C 13 69.131 . . 1 . . . . 191 THR CB . 17028 1
383 . 1 1 36 36 THR CG2 C 13 21.604 . . 1 . . . . 191 THR CG2 . 17028 1
384 . 1 1 36 36 THR N N 15 117.637 . . 1 . . . . 191 THR N . 17028 1
385 . 1 1 37 37 ASP H H 1 7.921 . . 1 . . . . 192 ASP HN . 17028 1
386 . 1 1 37 37 ASP HA H 1 4.639 . . 1 . . . . 192 ASP HA . 17028 1
387 . 1 1 37 37 ASP HB2 H 1 2.785 . . 2 . . . . 192 ASP HB1 . 17028 1
388 . 1 1 37 37 ASP HB3 H 1 2.442 . . 2 . . . . 192 ASP HB2 . 17028 1
389 . 1 1 37 37 ASP C C 13 174.648 . . 1 . . . . 192 ASP C . 17028 1
390 . 1 1 37 37 ASP CA C 13 53.567 . . 1 . . . . 192 ASP CA . 17028 1
391 . 1 1 37 37 ASP CB C 13 39.885 . . 1 . . . . 192 ASP CB . 17028 1
392 . 1 1 37 37 ASP N N 15 121.375 . . 1 . . . . 192 ASP N . 17028 1
393 . 1 1 38 38 LYS H H 1 8.100 . . 1 . . . . 193 LYS HN . 17028 1
394 . 1 1 38 38 LYS HA H 1 3.610 . . 1 . . . . 193 LYS HA . 17028 1
395 . 1 1 38 38 LYS HB2 H 1 2.021 . . 2 . . . . 193 LYS HB1 . 17028 1
396 . 1 1 38 38 LYS HB3 H 1 1.443 . . 2 . . . . 193 LYS HB2 . 17028 1
397 . 1 1 38 38 LYS HD2 H 1 1.740 . . 2 . . . . 193 LYS HD1 . 17028 1
398 . 1 1 38 38 LYS HD3 H 1 1.849 . . 2 . . . . 193 LYS HD2 . 17028 1
399 . 1 1 38 38 LYS HE2 H 1 3.129 . . 2 . . . . 193 LYS HE1 . 17028 1
400 . 1 1 38 38 LYS HE3 H 1 3.128 . . 2 . . . . 193 LYS HE2 . 17028 1
401 . 1 1 38 38 LYS HG2 H 1 1.151 . . 2 . . . . 193 LYS HG1 . 17028 1
402 . 1 1 38 38 LYS HG3 H 1 0.846 . . 2 . . . . 193 LYS HG2 . 17028 1
403 . 1 1 38 38 LYS C C 13 175.901 . . 1 . . . . 193 LYS C . 17028 1
404 . 1 1 38 38 LYS CA C 13 54.644 . . 1 . . . . 193 LYS CA . 17028 1
405 . 1 1 38 38 LYS CB C 13 32.196 . . 1 . . . . 193 LYS CB . 17028 1
406 . 1 1 38 38 LYS CD C 13 29.445 . . 1 . . . . 193 LYS CD . 17028 1
407 . 1 1 38 38 LYS CE C 13 42.486 . . 1 . . . . 193 LYS CE . 17028 1
408 . 1 1 38 38 LYS CG C 13 25.346 . . 1 . . . . 193 LYS CG . 17028 1
409 . 1 1 38 38 LYS N N 15 124.397 . . 1 . . . . 193 LYS N . 17028 1
410 . 1 1 39 39 SER H H 1 7.912 . . 1 . . . . 194 SER HN . 17028 1
411 . 1 1 39 39 SER HA H 1 4.361 . . 1 . . . . 194 SER HA . 17028 1
412 . 1 1 39 39 SER HB2 H 1 3.964 . . 2 . . . . 194 SER HB1 . 17028 1
413 . 1 1 39 39 SER HB3 H 1 3.868 . . 2 . . . . 194 SER HB2 . 17028 1
414 . 1 1 39 39 SER C C 13 175.617 . . 1 . . . . 194 SER C . 17028 1
415 . 1 1 39 39 SER CA C 13 59.223 . . 1 . . . . 194 SER CA . 17028 1
416 . 1 1 39 39 SER CB C 13 64.261 . . 1 . . . . 194 SER CB . 17028 1
417 . 1 1 39 39 SER N N 15 115.246 . . 1 . . . . 194 SER N . 17028 1
418 . 1 1 40 40 PHE H H 1 7.937 . . 1 . . . . 195 PHE HN . 17028 1
419 . 1 1 40 40 PHE HA H 1 5.223 . . 1 . . . . 195 PHE HA . 17028 1
420 . 1 1 40 40 PHE HB2 H 1 2.777 . . 1 . . . . 195 PHE HB1 . 17028 1
421 . 1 1 40 40 PHE HB3 H 1 3.270 . . 2 . . . . 195 PHE HB2 . 17028 1
422 . 1 1 40 40 PHE HD1 H 1 7.189 . . 3 . . . . 195 PHE HD1 . 17028 1
423 . 1 1 40 40 PHE HD2 H 1 7.189 . . 3 . . . . 195 PHE HD2 . 17028 1
424 . 1 1 40 40 PHE HE1 H 1 7.172 . . 3 . . . . 195 PHE HE1 . 17028 1
425 . 1 1 40 40 PHE HE2 H 1 7.172 . . 3 . . . . 195 PHE HE2 . 17028 1
426 . 1 1 40 40 PHE CA C 13 57.068 . . 1 . . . . 195 PHE CA . 17028 1
427 . 1 1 40 40 PHE CB C 13 41.207 . . 1 . . . . 195 PHE CB . 17028 1
428 . 1 1 40 40 PHE CE1 C 13 132.615 . . 3 . . . . 195 PHE CE1 . 17028 1
429 . 1 1 40 40 PHE CE2 C 13 132.615 . . 3 . . . . 195 PHE CE2 . 17028 1
430 . 1 1 40 40 PHE N N 15 117.593 . . 1 . . . . 195 PHE N . 17028 1
431 . 1 1 41 41 ARG H H 1 9.145 . . 1 . . . . 196 ARG HN . 17028 1
432 . 1 1 41 41 ARG HA H 1 4.678 . . 1 . . . . 196 ARG HA . 17028 1
433 . 1 1 41 41 ARG HB2 H 1 1.713 . . 2 . . . . 196 ARG HB1 . 17028 1
434 . 1 1 41 41 ARG HB3 H 1 1.712 . . 2 . . . . 196 ARG HB2 . 17028 1
435 . 1 1 41 41 ARG HD2 H 1 3.137 . . 2 . . . . 196 ARG HD1 . 17028 1
436 . 1 1 41 41 ARG HD3 H 1 3.138 . . 2 . . . . 196 ARG HD2 . 17028 1
437 . 1 1 41 41 ARG HG2 H 1 1.590 . . 2 . . . . 196 ARG HG1 . 17028 1
438 . 1 1 41 41 ARG HG3 H 1 1.591 . . 2 . . . . 196 ARG HG2 . 17028 1
439 . 1 1 41 41 ARG C C 13 174.055 . . 1 . . . . 196 ARG C . 17028 1
440 . 1 1 41 41 ARG CA C 13 54.662 . . 1 . . . . 196 ARG CA . 17028 1
441 . 1 1 41 41 ARG CB C 13 33.573 . . 1 . . . . 196 ARG CB . 17028 1
442 . 1 1 41 41 ARG CD C 13 43.512 . . 1 . . . . 196 ARG CD . 17028 1
443 . 1 1 41 41 ARG CG C 13 27.088 . . 1 . . . . 196 ARG CG . 17028 1
444 . 1 1 41 41 ARG N N 15 119.466 . . 1 . . . . 196 ARG N . 17028 1
445 . 1 1 42 42 ALA H H 1 8.776 . . 1 . . . . 197 ALA HN . 17028 1
446 . 1 1 42 42 ALA HA H 1 5.482 . . 1 . . . . 197 ALA HA . 17028 1
447 . 1 1 42 42 ALA HB1 H 1 1.221 . . 1 . . . . 197 ALA HB1 . 17028 1
448 . 1 1 42 42 ALA HB2 H 1 1.221 . . 1 . . . . 197 ALA HB1 . 17028 1
449 . 1 1 42 42 ALA HB3 H 1 1.221 . . 1 . . . . 197 ALA HB1 . 17028 1
450 . 1 1 42 42 ALA CA C 13 50.475 . . 1 . . . . 197 ALA CA . 17028 1
451 . 1 1 42 42 ALA CB C 13 23.131 . . 1 . . . . 197 ALA CB . 17028 1
452 . 1 1 42 42 ALA N N 15 126.744 . . 1 . . . . 197 ALA N . 17028 1
453 . 1 1 43 43 VAL H H 1 7.871 . . 1 . . . . 198 VAL HN . 17028 1
454 . 1 1 43 43 VAL HA H 1 4.259 . . 1 . . . . 198 VAL HA . 17028 1
455 . 1 1 43 43 VAL N N 15 119.336 . . 1 . . . . 198 VAL N . 17028 1
456 . 1 1 44 44 SER H H 1 8.394 . . 1 . . . . 199 SER HN . 17028 1
457 . 1 1 44 44 SER HA H 1 4.594 . . 1 . . . . 199 SER HA . 17028 1
458 . 1 1 44 44 SER HB2 H 1 3.899 . . 2 . . . . 199 SER HB1 . 17028 1
459 . 1 1 44 44 SER HB3 H 1 3.611 . . 2 . . . . 199 SER HB2 . 17028 1
460 . 1 1 44 44 SER C C 13 175.977 . . 1 . . . . 199 SER C . 17028 1
461 . 1 1 44 44 SER CA C 13 57.181 . . 1 . . . . 199 SER CA . 17028 1
462 . 1 1 44 44 SER CB C 13 64.604 . . 1 . . . . 199 SER CB . 17028 1
463 . 1 1 44 44 SER N N 15 114.614 . . 1 . . . . 199 SER N . 17028 1
464 . 1 1 45 45 ALA H H 1 8.436 . . 1 . . . . 200 ALA HN . 17028 1
465 . 1 1 45 45 ALA HA H 1 4.522 . . 1 . . . . 200 ALA HA . 17028 1
466 . 1 1 45 45 ALA HB1 H 1 1.513 . . 1 . . . . 200 ALA HB1 . 17028 1
467 . 1 1 45 45 ALA HB2 H 1 1.513 . . 1 . . . . 200 ALA HB1 . 17028 1
468 . 1 1 45 45 ALA HB3 H 1 1.513 . . 1 . . . . 200 ALA HB1 . 17028 1
469 . 1 1 45 45 ALA C C 13 176.864 . . 1 . . . . 200 ALA C . 17028 1
470 . 1 1 45 45 ALA CA C 13 53.209 . . 1 . . . . 200 ALA CA . 17028 1
471 . 1 1 45 45 ALA CB C 13 18.816 . . 1 . . . . 200 ALA CB . 17028 1
472 . 1 1 45 45 ALA N N 15 127.174 . . 1 . . . . 200 ALA N . 17028 1
473 . 1 1 46 46 ASP H H 1 8.029 . . 1 . . . . 201 ASP HN . 17028 1
474 . 1 1 46 46 ASP HA H 1 4.783 . . 1 . . . . 201 ASP HA . 17028 1
475 . 1 1 46 46 ASP HB2 H 1 2.862 . . 2 . . . . 201 ASP HB1 . 17028 1
476 . 1 1 46 46 ASP HB3 H 1 2.863 . . 2 . . . . 201 ASP HB2 . 17028 1
477 . 1 1 46 46 ASP C C 13 176.589 . . 1 . . . . 201 ASP C . 17028 1
478 . 1 1 46 46 ASP CA C 13 54.542 . . 1 . . . . 201 ASP CA . 17028 1
479 . 1 1 46 46 ASP CB C 13 40.303 . . 1 . . . . 201 ASP CB . 17028 1
480 . 1 1 46 46 ASP N N 15 114.937 . . 1 . . . . 201 ASP N . 17028 1
481 . 1 1 47 47 LYS H H 1 9.314 . . 1 . . . . 202 LYS HN . 17028 1
482 . 1 1 47 47 LYS HA H 1 4.629 . . 1 . . . . 202 LYS HA . 17028 1
483 . 1 1 47 47 LYS HB2 H 1 1.894 . . 2 . . . . 202 LYS HB1 . 17028 1
484 . 1 1 47 47 LYS HB3 H 1 1.893 . . 2 . . . . 202 LYS HB2 . 17028 1
485 . 1 1 47 47 LYS HD2 H 1 1.869 . . 2 . . . . 202 LYS HD1 . 17028 1
486 . 1 1 47 47 LYS HD3 H 1 1.868 . . 2 . . . . 202 LYS HD2 . 17028 1
487 . 1 1 47 47 LYS HE2 H 1 3.181 . . 2 . . . . 202 LYS HE1 . 17028 1
488 . 1 1 47 47 LYS HE3 H 1 3.182 . . 2 . . . . 202 LYS HE2 . 17028 1
489 . 1 1 47 47 LYS HG2 H 1 1.729 . . 2 . . . . 202 LYS HG1 . 17028 1
490 . 1 1 47 47 LYS HG3 H 1 1.728 . . 2 . . . . 202 LYS HG2 . 17028 1
491 . 1 1 47 47 LYS C C 13 176.544 . . 1 . . . . 202 LYS C . 17028 1
492 . 1 1 47 47 LYS CA C 13 58.514 . . 1 . . . . 202 LYS CA . 17028 1
493 . 1 1 47 47 LYS CB C 13 32.293 . . 1 . . . . 202 LYS CB . 17028 1
494 . 1 1 47 47 LYS CD C 13 30.089 . . 1 . . . . 202 LYS CD . 17028 1
495 . 1 1 47 47 LYS CE C 13 42.158 . . 1 . . . . 202 LYS CE . 17028 1
496 . 1 1 47 47 LYS CG C 13 25.987 . . 1 . . . . 202 LYS CG . 17028 1
497 . 1 1 47 47 LYS N N 15 128.184 . . 1 . . . . 202 LYS N . 17028 1
498 . 1 1 48 48 THR H H 1 8.338 . . 1 . . . . 203 THR HN . 17028 1
499 . 1 1 48 48 THR HA H 1 4.205 . . 1 . . . . 203 THR HA . 17028 1
500 . 1 1 48 48 THR HB H 1 4.266 . . 1 . . . . 203 THR HB . 17028 1
501 . 1 1 48 48 THR HG21 H 1 1.295 . . 1 . . . . 203 THR HG21 . 17028 1
502 . 1 1 48 48 THR HG22 H 1 1.295 . . 1 . . . . 203 THR HG21 . 17028 1
503 . 1 1 48 48 THR HG23 H 1 1.295 . . 1 . . . . 203 THR HG21 . 17028 1
504 . 1 1 48 48 THR C C 13 174.712 . . 1 . . . . 203 THR C . 17028 1
505 . 1 1 48 48 THR CA C 13 63.517 . . 1 . . . . 203 THR CA . 17028 1
506 . 1 1 48 48 THR CB C 13 68.548 . . 1 . . . . 203 THR CB . 17028 1
507 . 1 1 48 48 THR CG2 C 13 21.172 . . 1 . . . . 203 THR CG2 . 17028 1
508 . 1 1 48 48 THR N N 15 107.942 . . 1 . . . . 203 THR N . 17028 1
509 . 1 1 49 49 LYS H H 1 7.307 . . 1 . . . . 204 LYS HN . 17028 1
510 . 1 1 49 49 LYS HA H 1 4.656 . . 1 . . . . 204 LYS HA . 17028 1
511 . 1 1 49 49 LYS HB2 H 1 1.738 . . 2 . . . . 204 LYS HB1 . 17028 1
512 . 1 1 49 49 LYS HB3 H 1 1.537 . . 2 . . . . 204 LYS HB2 . 17028 1
513 . 1 1 49 49 LYS HD2 H 1 1.336 . . 2 . . . . 204 LYS HD1 . 17028 1
514 . 1 1 49 49 LYS HD3 H 1 1.335 . . 2 . . . . 204 LYS HD2 . 17028 1
515 . 1 1 49 49 LYS HE2 H 1 3.040 . . 2 . . . . 204 LYS HE1 . 17028 1
516 . 1 1 49 49 LYS HE3 H 1 3.041 . . 2 . . . . 204 LYS HE2 . 17028 1
517 . 1 1 49 49 LYS HG2 H 1 1.297 . . 2 . . . . 204 LYS HG1 . 17028 1
518 . 1 1 49 49 LYS HG3 H 1 1.168 . . 2 . . . . 204 LYS HG2 . 17028 1
519 . 1 1 49 49 LYS C C 13 176.804 . . 1 . . . . 204 LYS C . 17028 1
520 . 1 1 49 49 LYS CA C 13 56.703 . . 1 . . . . 204 LYS CA . 17028 1
521 . 1 1 49 49 LYS CB C 13 34.987 . . 1 . . . . 204 LYS CB . 17028 1
522 . 1 1 49 49 LYS CD C 13 29.263 . . 1 . . . . 204 LYS CD . 17028 1
523 . 1 1 49 49 LYS CE C 13 42.308 . . 1 . . . . 204 LYS CE . 17028 1
524 . 1 1 49 49 LYS CG C 13 25.196 . . 1 . . . . 204 LYS CG . 17028 1
525 . 1 1 49 49 LYS N N 15 116.426 . . 1 . . . . 204 LYS N . 17028 1
526 . 1 1 50 50 ALA H H 1 8.010 . . 1 . . . . 205 ALA HN . 17028 1
527 . 1 1 50 50 ALA HA H 1 5.383 . . 1 . . . . 205 ALA HA . 17028 1
528 . 1 1 50 50 ALA HB1 H 1 1.104 . . 1 . . . . 205 ALA HB1 . 17028 1
529 . 1 1 50 50 ALA HB2 H 1 1.104 . . 1 . . . . 205 ALA HB1 . 17028 1
530 . 1 1 50 50 ALA HB3 H 1 1.104 . . 1 . . . . 205 ALA HB1 . 17028 1
531 . 1 1 50 50 ALA C C 13 175.618 . . 1 . . . . 205 ALA C . 17028 1
532 . 1 1 50 50 ALA CA C 13 52.124 . . 1 . . . . 205 ALA CA . 17028 1
533 . 1 1 50 50 ALA CB C 13 22.293 . . 1 . . . . 205 ALA CB . 17028 1
534 . 1 1 50 50 ALA N N 15 118.939 . . 1 . . . . 205 ALA N . 17028 1
535 . 1 1 51 51 THR H H 1 8.285 . . 1 . . . . 206 THR HN . 17028 1
536 . 1 1 51 51 THR HA H 1 5.033 . . 1 . . . . 206 THR HA . 17028 1
537 . 1 1 51 51 THR HB H 1 4.469 . . 1 . . . . 206 THR HB . 17028 1
538 . 1 1 51 51 THR HG21 H 1 1.266 . . 1 . . . . 206 THR HG21 . 17028 1
539 . 1 1 51 51 THR HG22 H 1 1.266 . . 1 . . . . 206 THR HG21 . 17028 1
540 . 1 1 51 51 THR HG23 H 1 1.266 . . 1 . . . . 206 THR HG21 . 17028 1
541 . 1 1 51 51 THR C C 13 174.050 . . 1 . . . . 206 THR C . 17028 1
542 . 1 1 51 51 THR CA C 13 58.663 . . 1 . . . . 206 THR CA . 17028 1
543 . 1 1 51 51 THR CB C 13 71.182 . . 1 . . . . 206 THR CB . 17028 1
544 . 1 1 51 51 THR CG2 C 13 21.683 . . 1 . . . . 206 THR CG2 . 17028 1
545 . 1 1 51 51 THR N N 15 111.136 . . 1 . . . . 206 THR N . 17028 1
546 . 1 1 52 52 VAL H H 1 8.940 . . 1 . . . . 207 VAL HN . 17028 1
547 . 1 1 52 52 VAL HA H 1 5.718 . . 1 . . . . 207 VAL HA . 17028 1
548 . 1 1 52 52 VAL HB H 1 1.852 . . 1 . . . . 207 VAL HB . 17028 1
549 . 1 1 52 52 VAL HG11 H 1 0.743 . . 4 . . . . 207 VAL HG11 . 17028 1
550 . 1 1 52 52 VAL HG12 H 1 0.743 . . 4 . . . . 207 VAL HG11 . 17028 1
551 . 1 1 52 52 VAL HG13 H 1 0.743 . . 4 . . . . 207 VAL HG11 . 17028 1
552 . 1 1 52 52 VAL HG21 H 1 0.695 . . 4 . . . . 207 VAL HG21 . 17028 1
553 . 1 1 52 52 VAL HG22 H 1 0.695 . . 4 . . . . 207 VAL HG21 . 17028 1
554 . 1 1 52 52 VAL HG23 H 1 0.695 . . 4 . . . . 207 VAL HG21 . 17028 1
555 . 1 1 52 52 VAL C C 13 175.988 . . 1 . . . . 207 VAL C . 17028 1
556 . 1 1 52 52 VAL CA C 13 58.791 . . 1 . . . . 207 VAL CA . 17028 1
557 . 1 1 52 52 VAL CB C 13 36.280 . . 1 . . . . 207 VAL CB . 17028 1
558 . 1 1 52 52 VAL CG1 C 13 22.939 . . 2 . . . . 207 VAL CG1 . 17028 1
559 . 1 1 52 52 VAL CG2 C 13 19.405 . . 1 . . . . 207 VAL CG2 . 17028 1
560 . 1 1 52 52 VAL N N 15 112.839 . . 1 . . . . 207 VAL N . 17028 1
561 . 1 1 53 53 SER H H 1 8.754 . . 1 . . . . 208 SER HN . 17028 1
562 . 1 1 53 53 SER HA H 1 4.713 . . 1 . . . . 208 SER HA . 17028 1
563 . 1 1 53 53 SER HB2 H 1 3.753 . . 2 . . . . 208 SER HB1 . 17028 1
564 . 1 1 53 53 SER HB3 H 1 3.858 . . 2 . . . . 208 SER HB2 . 17028 1
565 . 1 1 53 53 SER C C 13 172.790 . . 1 . . . . 208 SER C . 17028 1
566 . 1 1 53 53 SER CA C 13 57.598 . . 1 . . . . 208 SER CA . 17028 1
567 . 1 1 53 53 SER CB C 13 65.341 . . 1 . . . . 208 SER CB . 17028 1
568 . 1 1 53 53 SER N N 15 117.148 . . 1 . . . . 208 SER N . 17028 1
569 . 1 1 54 54 VAL H H 1 8.806 . . 1 . . . . 209 VAL HN . 17028 1
570 . 1 1 54 54 VAL HA H 1 4.855 . . 1 . . . . 209 VAL HA . 17028 1
571 . 1 1 54 54 VAL HB H 1 1.932 . . 1 . . . . 209 VAL HB . 17028 1
572 . 1 1 54 54 VAL HG11 H 1 0.914 . . 4 . . . . 209 VAL HG11 . 17028 1
573 . 1 1 54 54 VAL HG12 H 1 0.914 . . 4 . . . . 209 VAL HG11 . 17028 1
574 . 1 1 54 54 VAL HG13 H 1 0.914 . . 4 . . . . 209 VAL HG11 . 17028 1
575 . 1 1 54 54 VAL HG21 H 1 1.032 . . 4 . . . . 209 VAL HG21 . 17028 1
576 . 1 1 54 54 VAL HG22 H 1 1.032 . . 4 . . . . 209 VAL HG21 . 17028 1
577 . 1 1 54 54 VAL HG23 H 1 1.032 . . 4 . . . . 209 VAL HG21 . 17028 1
578 . 1 1 54 54 VAL C C 13 175.835 . . 1 . . . . 209 VAL C . 17028 1
579 . 1 1 54 54 VAL CA C 13 61.853 . . 1 . . . . 209 VAL CA . 17028 1
580 . 1 1 54 54 VAL CB C 13 34.862 . . 1 . . . . 209 VAL CB . 17028 1
581 . 1 1 54 54 VAL CG1 C 13 22.358 . . 2 . . . . 209 VAL CG1 . 17028 1
582 . 1 1 54 54 VAL CG2 C 13 22.358 . . 2 . . . . 209 VAL CG2 . 17028 1
583 . 1 1 54 54 VAL N N 15 123.857 . . 1 . . . . 209 VAL N . 17028 1
584 . 1 1 55 55 SER H H 1 8.397 . . 1 . . . . 210 SER HN . 17028 1
585 . 1 1 55 55 SER HA H 1 4.604 . . 1 . . . . 210 SER HA . 17028 1
586 . 1 1 55 55 SER HB2 H 1 3.774 . . 2 . . . . 210 SER HB1 . 17028 1
587 . 1 1 55 55 SER HB3 H 1 3.493 . . 2 . . . . 210 SER HB2 . 17028 1
588 . 1 1 55 55 SER C C 13 174.791 . . 1 . . . . 210 SER C . 17028 1
589 . 1 1 55 55 SER CA C 13 57.370 . . 1 . . . . 210 SER CA . 17028 1
590 . 1 1 55 55 SER CB C 13 63.729 . . 1 . . . . 210 SER CB . 17028 1
591 . 1 1 55 55 SER N N 15 121.712 . . 1 . . . . 210 SER N . 17028 1
592 . 1 1 56 56 GLY H H 1 9.209 . . 1 . . . . 211 GLY HN . 17028 1
593 . 1 1 56 56 GLY HA2 H 1 4.063 . . 2 . . . . 211 GLY HA1 . 17028 1
594 . 1 1 56 56 GLY HA3 H 1 3.755 . . 2 . . . . 211 GLY HA2 . 17028 1
595 . 1 1 56 56 GLY C C 13 174.414 . . 1 . . . . 211 GLY C . 17028 1
596 . 1 1 56 56 GLY CA C 13 47.330 . . 1 . . . . 211 GLY CA . 17028 1
597 . 1 1 56 56 GLY N N 15 119.681 . . 1 . . . . 211 GLY N . 17028 1
598 . 1 1 57 57 MET H H 1 8.756 . . 1 . . . . 212 MET HN . 17028 1
599 . 1 1 57 57 MET HA H 1 5.217 . . 1 . . . . 212 MET HA . 17028 1
600 . 1 1 57 57 MET HB2 H 1 3.188 . . 1 . . . . 212 MET HB1 . 17028 1
601 . 1 1 57 57 MET HB3 H 1 2.015 . . 2 . . . . 212 MET HB2 . 17028 1
602 . 1 1 57 57 MET HE1 H 1 2.318 . . 1 . . . . 212 MET HE1 . 17028 1
603 . 1 1 57 57 MET HE2 H 1 2.317 . . 1 . . . . 212 MET HE2 . 17028 1
604 . 1 1 57 57 MET HE3 H 1 2.317 . . 1 . . . . 212 MET HE2 . 17028 1
605 . 1 1 57 57 MET HG2 H 1 3.013 . . 1 . . . . 212 MET HG1 . 17028 1
606 . 1 1 57 57 MET HG3 H 1 2.679 . . 2 . . . . 212 MET HG2 . 17028 1
607 . 1 1 57 57 MET C C 13 175.382 . . 1 . . . . 212 MET C . 17028 1
608 . 1 1 57 57 MET CA C 13 53.624 . . 1 . . . . 212 MET CA . 17028 1
609 . 1 1 57 57 MET CB C 13 29.931 . . 1 . . . . 212 MET CB . 17028 1
610 . 1 1 57 57 MET CE C 13 16.695 . . 1 . . . . 212 MET CE . 17028 1
611 . 1 1 57 57 MET CG C 13 32.337 . . 1 . . . . 212 MET CG . 17028 1
612 . 1 1 57 57 MET N N 15 123.687 . . 1 . . . . 212 MET N . 17028 1
613 . 1 1 58 58 THR H H 1 8.420 . . 1 . . . . 213 THR HN . 17028 1
614 . 1 1 58 58 THR HA H 1 5.058 . . 1 . . . . 213 THR HA . 17028 1
615 . 1 1 58 58 THR HB H 1 4.288 . . 1 . . . . 213 THR HB . 17028 1
616 . 1 1 58 58 THR HG21 H 1 1.213 . . 1 . . . . 213 THR HG21 . 17028 1
617 . 1 1 58 58 THR HG22 H 1 1.213 . . 1 . . . . 213 THR HG21 . 17028 1
618 . 1 1 58 58 THR HG23 H 1 1.213 . . 1 . . . . 213 THR HG21 . 17028 1
619 . 1 1 58 58 THR C C 13 174.386 . . 1 . . . . 213 THR C . 17028 1
620 . 1 1 58 58 THR CA C 13 62.182 . . 1 . . . . 213 THR CA . 17028 1
621 . 1 1 58 58 THR CB C 13 70.085 . . 1 . . . . 213 THR CB . 17028 1
622 . 1 1 58 58 THR CG2 C 13 21.472 . . 1 . . . . 213 THR CG2 . 17028 1
623 . 1 1 58 58 THR N N 15 114.100 . . 1 . . . . 213 THR N . 17028 1
624 . 1 1 59 59 ILE H H 1 9.432 . . 1 . . . . 214 ILE HN . 17028 1
625 . 1 1 59 59 ILE HA H 1 4.582 . . 1 . . . . 214 ILE HA . 17028 1
626 . 1 1 59 59 ILE HB H 1 1.649 . . 1 . . . . 214 ILE HB . 17028 1
627 . 1 1 59 59 ILE HD11 H 1 0.526 . . 1 . . . . 214 ILE HD11 . 17028 1
628 . 1 1 59 59 ILE HD12 H 1 0.526 . . 1 . . . . 214 ILE HD11 . 17028 1
629 . 1 1 59 59 ILE HD13 H 1 0.526 . . 1 . . . . 214 ILE HD11 . 17028 1
630 . 1 1 59 59 ILE HG12 H 1 0.868 . . 9 . . . . 214 ILE HG11 . 17028 1
631 . 1 1 59 59 ILE HG13 H 1 0.867 . . 1 . . . . 214 ILE HG12 . 17028 1
632 . 1 1 59 59 ILE HG21 H 1 0.669 . . 2 . . . . 214 ILE HG21 . 17028 1
633 . 1 1 59 59 ILE HG22 H 1 0.669 . . 2 . . . . 214 ILE HG21 . 17028 1
634 . 1 1 59 59 ILE HG23 H 1 0.669 . . 2 . . . . 214 ILE HG21 . 17028 1
635 . 1 1 59 59 ILE C C 13 175.630 . . 1 . . . . 214 ILE C . 17028 1
636 . 1 1 59 59 ILE CA C 13 60.165 . . 1 . . . . 214 ILE CA . 17028 1
637 . 1 1 59 59 ILE CB C 13 40.353 . . 1 . . . . 214 ILE CB . 17028 1
638 . 1 1 59 59 ILE CD1 C 13 15.848 . . 1 . . . . 214 ILE CD1 . 17028 1
639 . 1 1 59 59 ILE CG1 C 13 27.308 . . 1 . . . . 214 ILE CG1 . 17028 1
640 . 1 1 59 59 ILE CG2 C 13 17.467 . . 1 . . . . 214 ILE CG2 . 17028 1
641 . 1 1 59 59 ILE N N 15 128.498 . . 1 . . . . 214 ILE N . 17028 1
642 . 1 1 60 60 THR H H 1 9.506 . . 1 . . . . 215 THR HN . 17028 1
643 . 1 1 60 60 THR HA H 1 4.709 . . 1 . . . . 215 THR HA . 17028 1
644 . 1 1 60 60 THR HB H 1 4.062 . . 1 . . . . 215 THR HB . 17028 1
645 . 1 1 60 60 THR HG21 H 1 1.089 . . 1 . . . . 215 THR HG21 . 17028 1
646 . 1 1 60 60 THR HG22 H 1 1.089 . . 1 . . . . 215 THR HG21 . 17028 1
647 . 1 1 60 60 THR HG23 H 1 1.089 . . 1 . . . . 215 THR HG21 . 17028 1
648 . 1 1 60 60 THR C C 13 173.168 . . 1 . . . . 215 THR C . 17028 1
649 . 1 1 60 60 THR CA C 13 63.515 . . 1 . . . . 215 THR CA . 17028 1
650 . 1 1 60 60 THR CB C 13 68.620 . . 1 . . . . 215 THR CB . 17028 1
651 . 1 1 60 60 THR CG2 C 13 20.883 . . 1 . . . . 215 THR CG2 . 17028 1
652 . 1 1 60 60 THR N N 15 126.049 . . 1 . . . . 215 THR N . 17028 1
653 . 1 1 61 61 VAL H H 1 9.105 . . 1 . . . . 216 VAL HN . 17028 1
654 . 1 1 61 61 VAL HA H 1 4.629 . . 1 . . . . 216 VAL HA . 17028 1
655 . 1 1 61 61 VAL HB H 1 1.764 . . 1 . . . . 216 VAL HB . 17028 1
656 . 1 1 61 61 VAL HG11 H 1 0.677 . . 4 . . . . 216 VAL HG11 . 17028 1
657 . 1 1 61 61 VAL HG12 H 1 0.677 . . 4 . . . . 216 VAL HG11 . 17028 1
658 . 1 1 61 61 VAL HG13 H 1 0.677 . . 4 . . . . 216 VAL HG11 . 17028 1
659 . 1 1 61 61 VAL HG21 H 1 0.676 . . 4 . . . . 216 VAL HG21 . 17028 1
660 . 1 1 61 61 VAL HG22 H 1 0.676 . . 4 . . . . 216 VAL HG21 . 17028 1
661 . 1 1 61 61 VAL HG23 H 1 0.676 . . 4 . . . . 216 VAL HG21 . 17028 1
662 . 1 1 61 61 VAL C C 13 174.383 . . 1 . . . . 216 VAL C . 17028 1
663 . 1 1 61 61 VAL CA C 13 60.489 . . 1 . . . . 216 VAL CA . 17028 1
664 . 1 1 61 61 VAL CB C 13 33.402 . . 1 . . . . 216 VAL CB . 17028 1
665 . 1 1 61 61 VAL CG1 C 13 20.938 . . 2 . . . . 216 VAL CG1 . 17028 1
666 . 1 1 61 61 VAL CG2 C 13 20.938 . . 2 . . . . 216 VAL CG2 . 17028 1
667 . 1 1 61 61 VAL N N 15 127.504 . . 1 . . . . 216 VAL N . 17028 1
668 . 1 1 62 62 ASN H H 1 9.193 . . 1 . . . . 217 ASN HN . 17028 1
669 . 1 1 62 62 ASN HA H 1 5.047 . . 1 . . . . 217 ASN HA . 17028 1
670 . 1 1 62 62 ASN HB2 H 1 2.875 . . 1 . . . . 217 ASN HB1 . 17028 1
671 . 1 1 62 62 ASN HB3 H 1 2.504 . . 2 . . . . 217 ASN HB2 . 17028 1
672 . 1 1 62 62 ASN HD21 H 1 6.957 . . 2 . . . . 217 ASN HD21 . 17028 1
673 . 1 1 62 62 ASN HD22 H 1 6.718 . . 2 . . . . 217 ASN HD22 . 17028 1
674 . 1 1 62 62 ASN C C 13 175.306 . . 1 . . . . 217 ASN C . 17028 1
675 . 1 1 62 62 ASN CA C 13 51.805 . . 1 . . . . 217 ASN CA . 17028 1
676 . 1 1 62 62 ASN CB C 13 39.354 . . 1 . . . . 217 ASN CB . 17028 1
677 . 1 1 62 62 ASN N N 15 125.267 . . 1 . . . . 217 ASN N . 17028 1
678 . 1 1 62 62 ASN ND2 N 15 112.997 . . 1 . . . . 217 ASN ND2 . 17028 1
679 . 1 1 63 63 GLY H H 1 8.978 . . 1 . . . . 218 GLY HN . 17028 1
680 . 1 1 63 63 GLY HA2 H 1 4.084 . . 2 . . . . 218 GLY HA1 . 17028 1
681 . 1 1 63 63 GLY HA3 H 1 3.293 . . 2 . . . . 218 GLY HA2 . 17028 1
682 . 1 1 63 63 GLY C C 13 173.180 . . 1 . . . . 218 GLY C . 17028 1
683 . 1 1 63 63 GLY CA C 13 47.801 . . 1 . . . . 218 GLY CA . 17028 1
684 . 1 1 63 63 GLY N N 15 109.336 . . 1 . . . . 218 GLY N . 17028 1
685 . 1 1 64 64 VAL H H 1 9.179 . . 1 . . . . 219 VAL HN . 17028 1
686 . 1 1 64 64 VAL HA H 1 4.100 . . 1 . . . . 219 VAL HA . 17028 1
687 . 1 1 64 64 VAL HB H 1 1.593 . . 1 . . . . 219 VAL HB . 17028 1
688 . 1 1 64 64 VAL HG11 H 1 0.863 . . 4 . . . . 219 VAL HG11 . 17028 1
689 . 1 1 64 64 VAL HG12 H 1 0.863 . . 4 . . . . 219 VAL HG11 . 17028 1
690 . 1 1 64 64 VAL HG13 H 1 0.863 . . 4 . . . . 219 VAL HG11 . 17028 1
691 . 1 1 64 64 VAL HG21 H 1 0.862 . . 4 . . . . 219 VAL HG21 . 17028 1
692 . 1 1 64 64 VAL HG22 H 1 0.862 . . 4 . . . . 219 VAL HG21 . 17028 1
693 . 1 1 64 64 VAL HG23 H 1 0.862 . . 4 . . . . 219 VAL HG21 . 17028 1
694 . 1 1 64 64 VAL C C 13 175.239 . . 1 . . . . 219 VAL C . 17028 1
695 . 1 1 64 64 VAL CA C 13 64.514 . . 1 . . . . 219 VAL CA . 17028 1
696 . 1 1 64 64 VAL CB C 13 33.531 . . 1 . . . . 219 VAL CB . 17028 1
697 . 1 1 64 64 VAL CG1 C 13 19.148 . . 2 . . . . 219 VAL CG1 . 17028 1
698 . 1 1 64 64 VAL CG2 C 13 21.123 . . 2 . . . . 219 VAL CG2 . 17028 1
699 . 1 1 64 64 VAL N N 15 130.846 . . 1 . . . . 219 VAL N . 17028 1
700 . 1 1 65 65 ALA H H 1 8.238 . . 1 . . . . 220 ALA HN . 17028 1
701 . 1 1 65 65 ALA HA H 1 4.335 . . 1 . . . . 220 ALA HA . 17028 1
702 . 1 1 65 65 ALA HB1 H 1 1.523 . . 1 . . . . 220 ALA HB1 . 17028 1
703 . 1 1 65 65 ALA HB2 H 1 1.523 . . 1 . . . . 220 ALA HB1 . 17028 1
704 . 1 1 65 65 ALA HB3 H 1 1.523 . . 1 . . . . 220 ALA HB1 . 17028 1
705 . 1 1 65 65 ALA C C 13 173.779 . . 1 . . . . 220 ALA C . 17028 1
706 . 1 1 65 65 ALA CA C 13 52.112 . . 1 . . . . 220 ALA CA . 17028 1
707 . 1 1 65 65 ALA CB C 13 21.972 . . 1 . . . . 220 ALA CB . 17028 1
708 . 1 1 65 65 ALA N N 15 121.742 . . 1 . . . . 220 ALA N . 17028 1
709 . 1 1 66 66 ALA H H 1 8.046 . . 1 . . . . 221 ALA HN . 17028 1
710 . 1 1 66 66 ALA HA H 1 3.866 . . 1 . . . . 221 ALA HA . 17028 1
711 . 1 1 66 66 ALA HB1 H 1 1.278 . . 1 . . . . 221 ALA HB1 . 17028 1
712 . 1 1 66 66 ALA HB2 H 1 1.278 . . 1 . . . . 221 ALA HB1 . 17028 1
713 . 1 1 66 66 ALA HB3 H 1 1.278 . . 1 . . . . 221 ALA HB1 . 17028 1
714 . 1 1 66 66 ALA C C 13 177.509 . . 1 . . . . 221 ALA C . 17028 1
715 . 1 1 66 66 ALA CA C 13 52.288 . . 1 . . . . 221 ALA CA . 17028 1
716 . 1 1 66 66 ALA CB C 13 19.062 . . 1 . . . . 221 ALA CB . 17028 1
717 . 1 1 66 66 ALA N N 15 117.491 . . 1 . . . . 221 ALA N . 17028 1
718 . 1 1 67 67 GLY H H 1 8.692 . . 1 . . . . 222 GLY HN . 17028 1
719 . 1 1 67 67 GLY HA2 H 1 4.312 . . 2 . . . . 222 GLY HA1 . 17028 1
720 . 1 1 67 67 GLY HA3 H 1 3.835 . . 2 . . . . 222 GLY HA2 . 17028 1
721 . 1 1 67 67 GLY C C 13 170.952 . . 1 . . . . 222 GLY C . 17028 1
722 . 1 1 67 67 GLY CA C 13 44.131 . . 1 . . . . 222 GLY CA . 17028 1
723 . 1 1 67 67 GLY N N 15 108.613 . . 1 . . . . 222 GLY N . 17028 1
724 . 1 1 68 68 LYS H H 1 8.422 . . 1 . . . . 223 LYS HN . 17028 1
725 . 1 1 68 68 LYS HA H 1 5.258 . . 1 . . . . 223 LYS HA . 17028 1
726 . 1 1 68 68 LYS HB2 H 1 1.701 . . 2 . . . . 223 LYS HB1 . 17028 1
727 . 1 1 68 68 LYS HB3 H 1 1.702 . . 2 . . . . 223 LYS HB2 . 17028 1
728 . 1 1 68 68 LYS HD2 H 1 1.605 . . 2 . . . . 223 LYS HD1 . 17028 1
729 . 1 1 68 68 LYS HD3 H 1 1.604 . . 2 . . . . 223 LYS HD2 . 17028 1
730 . 1 1 68 68 LYS HE2 H 1 2.878 . . 2 . . . . 223 LYS HE1 . 17028 1
731 . 1 1 68 68 LYS HE3 H 1 2.877 . . 2 . . . . 223 LYS HE2 . 17028 1
732 . 1 1 68 68 LYS HG2 H 1 1.410 . . 2 . . . . 223 LYS HG1 . 17028 1
733 . 1 1 68 68 LYS HG3 H 1 1.411 . . 2 . . . . 223 LYS HG2 . 17028 1
734 . 1 1 68 68 LYS C C 13 175.657 . . 1 . . . . 223 LYS C . 17028 1
735 . 1 1 68 68 LYS CA C 13 55.618 . . 1 . . . . 223 LYS CA . 17028 1
736 . 1 1 68 68 LYS CB C 13 34.221 . . 1 . . . . 223 LYS CB . 17028 1
737 . 1 1 68 68 LYS CD C 13 29.320 . . 1 . . . . 223 LYS CD . 17028 1
738 . 1 1 68 68 LYS CE C 13 42.178 . . 1 . . . . 223 LYS CE . 17028 1
739 . 1 1 68 68 LYS CG C 13 25.163 . . 1 . . . . 223 LYS CG . 17028 1
740 . 1 1 68 68 LYS N N 15 120.496 . . 1 . . . . 223 LYS N . 17028 1
741 . 1 1 69 69 VAL H H 1 9.377 . . 1 . . . . 224 VAL HN . 17028 1
742 . 1 1 69 69 VAL HA H 1 4.595 . . 1 . . . . 224 VAL HA . 17028 1
743 . 1 1 69 69 VAL HB H 1 1.942 . . 1 . . . . 224 VAL HB . 17028 1
744 . 1 1 69 69 VAL HG11 H 1 0.807 . . 4 . . . . 224 VAL HG11 . 17028 1
745 . 1 1 69 69 VAL HG12 H 1 0.807 . . 4 . . . . 224 VAL HG11 . 17028 1
746 . 1 1 69 69 VAL HG13 H 1 0.807 . . 4 . . . . 224 VAL HG11 . 17028 1
747 . 1 1 69 69 VAL HG21 H 1 1.163 . . 4 . . . . 224 VAL HG21 . 17028 1
748 . 1 1 69 69 VAL HG22 H 1 1.163 . . 4 . . . . 224 VAL HG21 . 17028 1
749 . 1 1 69 69 VAL HG23 H 1 1.163 . . 4 . . . . 224 VAL HG21 . 17028 1
750 . 1 1 69 69 VAL C C 13 171.691 . . 1 . . . . 224 VAL C . 17028 1
751 . 1 1 69 69 VAL CA C 13 59.747 . . 1 . . . . 224 VAL CA . 17028 1
752 . 1 1 69 69 VAL CB C 13 34.706 . . 1 . . . . 224 VAL CB . 17028 1
753 . 1 1 69 69 VAL CG1 C 13 19.460 . . 2 . . . . 224 VAL CG1 . 17028 1
754 . 1 1 69 69 VAL CG2 C 13 22.946 . . 2 . . . . 224 VAL CG2 . 17028 1
755 . 1 1 69 69 VAL N N 15 123.200 . . 1 . . . . 224 VAL N . 17028 1
756 . 1 1 70 70 ASN H H 1 8.228 . . 1 . . . . 225 ASN HN . 17028 1
757 . 1 1 70 70 ASN HA H 1 5.494 . . 1 . . . . 225 ASN HA . 17028 1
758 . 1 1 70 70 ASN HB2 H 1 2.531 . . 2 . . . . 225 ASN HB1 . 17028 1
759 . 1 1 70 70 ASN HB3 H 1 2.127 . . 2 . . . . 225 ASN HB2 . 17028 1
760 . 1 1 70 70 ASN HD21 H 1 7.088 . . 2 . . . . 225 ASN HD21 . 17028 1
761 . 1 1 70 70 ASN HD22 H 1 7.002 . . 2 . . . . 225 ASN HD22 . 17028 1
762 . 1 1 70 70 ASN C C 13 174.270 . . 1 . . . . 225 ASN C . 17028 1
763 . 1 1 70 70 ASN CA C 13 51.936 . . 1 . . . . 225 ASN CA . 17028 1
764 . 1 1 70 70 ASN CB C 13 41.003 . . 1 . . . . 225 ASN CB . 17028 1
765 . 1 1 70 70 ASN N N 15 124.445 . . 1 . . . . 225 ASN N . 17028 1
766 . 1 1 70 70 ASN ND2 N 15 111.132 . . 1 . . . . 225 ASN ND2 . 17028 1
767 . 1 1 71 71 ILE H H 1 9.145 . . 1 . . . . 226 ILE HN . 17028 1
768 . 1 1 71 71 ILE HA H 1 4.952 . . 1 . . . . 226 ILE HA . 17028 1
769 . 1 1 71 71 ILE HB H 1 2.195 . . 1 . . . . 226 ILE HB . 17028 1
770 . 1 1 71 71 ILE HD11 H 1 0.624 . . 1 . . . . 226 ILE HD11 . 17028 1
771 . 1 1 71 71 ILE HD12 H 1 0.624 . . 1 . . . . 226 ILE HD11 . 17028 1
772 . 1 1 71 71 ILE HD13 H 1 0.624 . . 1 . . . . 226 ILE HD11 . 17028 1
773 . 1 1 71 71 ILE HG12 H 1 1.354 . . 1 . . . . 226 ILE HG11 . 17028 1
774 . 1 1 71 71 ILE HG13 H 1 1.175 . . 1 . . . . 226 ILE HG12 . 17028 1
775 . 1 1 71 71 ILE HG21 H 1 0.569 . . 2 . . . . 226 ILE HG21 . 17028 1
776 . 1 1 71 71 ILE HG22 H 1 0.569 . . 2 . . . . 226 ILE HG21 . 17028 1
777 . 1 1 71 71 ILE HG23 H 1 0.569 . . 2 . . . . 226 ILE HG21 . 17028 1
778 . 1 1 71 71 ILE CA C 13 55.944 . . 1 . . . . 226 ILE CA . 17028 1
779 . 1 1 71 71 ILE CB C 13 37.897 . . 1 . . . . 226 ILE CB . 17028 1
780 . 1 1 71 71 ILE CD1 C 13 11.914 . . 1 . . . . 226 ILE CD1 . 17028 1
781 . 1 1 71 71 ILE CG1 C 13 26.788 . . 1 . . . . 226 ILE CG1 . 17028 1
782 . 1 1 71 71 ILE CG2 C 13 16.695 . . 1 . . . . 226 ILE CG2 . 17028 1
783 . 1 1 71 71 ILE N N 15 119.466 . . 1 . . . . 226 ILE N . 17028 1
784 . 1 1 72 72 PRO HB2 H 1 2.013 . . 1 . . . . 227 PRO HB1 . 17028 1
785 . 1 1 72 72 PRO HB3 H 1 2.120 . . 1 . . . . 227 PRO HB2 . 17028 1
786 . 1 1 72 72 PRO HD2 H 1 3.102 . . 1 . . . . 227 PRO HD1 . 17028 1
787 . 1 1 72 72 PRO HD3 H 1 3.103 . . 2 . . . . 227 PRO HD2 . 17028 1
788 . 1 1 72 72 PRO HG2 H 1 1.497 . . 1 . . . . 227 PRO HG1 . 17028 1
789 . 1 1 72 72 PRO HG3 H 1 1.496 . . 2 . . . . 227 PRO HG2 . 17028 1
790 . 1 1 72 72 PRO C C 13 177.625 . . 1 . . . . 227 PRO C . 17028 1
791 . 1 1 72 72 PRO CB C 13 28.117 . . 1 . . . . 227 PRO CB . 17028 1
792 . 1 1 72 72 PRO CD C 13 50.429 . . 1 . . . . 227 PRO CD . 17028 1
793 . 1 1 72 72 PRO CG C 13 28.382 . . 1 . . . . 227 PRO CG . 17028 1
794 . 1 1 73 73 VAL H H 1 8.426 . . 1 . . . . 228 VAL HN . 17028 1
795 . 1 1 73 73 VAL HA H 1 4.977 . . 1 . . . . 228 VAL HA . 17028 1
796 . 1 1 73 73 VAL HB H 1 1.756 . . 1 . . . . 228 VAL HB . 17028 1
797 . 1 1 73 73 VAL HG11 H 1 0.658 . . 4 . . . . 228 VAL HG11 . 17028 1
798 . 1 1 73 73 VAL HG12 H 1 0.658 . . 4 . . . . 228 VAL HG11 . 17028 1
799 . 1 1 73 73 VAL HG13 H 1 0.658 . . 4 . . . . 228 VAL HG11 . 17028 1
800 . 1 1 73 73 VAL HG21 H 1 0.752 . . 4 . . . . 228 VAL HG21 . 17028 1
801 . 1 1 73 73 VAL HG22 H 1 0.752 . . 4 . . . . 228 VAL HG21 . 17028 1
802 . 1 1 73 73 VAL HG23 H 1 0.752 . . 4 . . . . 228 VAL HG21 . 17028 1
803 . 1 1 73 73 VAL C C 13 173.743 . . 1 . . . . 228 VAL C . 17028 1
804 . 1 1 73 73 VAL CA C 13 60.903 . . 1 . . . . 228 VAL CA . 17028 1
805 . 1 1 73 73 VAL CB C 13 34.645 . . 1 . . . . 228 VAL CB . 17028 1
806 . 1 1 73 73 VAL CG1 C 13 22.270 . . 1 . . . . 228 VAL CG1 . 17028 1
807 . 1 1 73 73 VAL CG2 C 13 20.945 . . 1 . . . . 228 VAL CG2 . 17028 1
808 . 1 1 73 73 VAL N N 15 120.093 . . 1 . . . . 228 VAL N . 17028 1
809 . 1 1 74 74 VAL H H 1 8.873 . . 1 . . . . 229 VAL HN . 17028 1
810 . 1 1 74 74 VAL HA H 1 5.138 . . 1 . . . . 229 VAL HA . 17028 1
811 . 1 1 74 74 VAL HB H 1 1.974 . . 1 . . . . 229 VAL HB . 17028 1
812 . 1 1 74 74 VAL HG11 H 1 0.927 . . 4 . . . . 229 VAL HG11 . 17028 1
813 . 1 1 74 74 VAL HG12 H 1 0.927 . . 4 . . . . 229 VAL HG11 . 17028 1
814 . 1 1 74 74 VAL HG13 H 1 0.927 . . 4 . . . . 229 VAL HG11 . 17028 1
815 . 1 1 74 74 VAL HG21 H 1 1.094 . . 4 . . . . 229 VAL HG21 . 17028 1
816 . 1 1 74 74 VAL HG22 H 1 1.094 . . 4 . . . . 229 VAL HG21 . 17028 1
817 . 1 1 74 74 VAL HG23 H 1 1.094 . . 4 . . . . 229 VAL HG21 . 17028 1
818 . 1 1 74 74 VAL C C 13 176.248 . . 1 . . . . 229 VAL C . 17028 1
819 . 1 1 74 74 VAL CA C 13 59.460 . . 1 . . . . 229 VAL CA . 17028 1
820 . 1 1 74 74 VAL CB C 13 35.446 . . 1 . . . . 229 VAL CB . 17028 1
821 . 1 1 74 74 VAL CG1 C 13 20.766 . . 2 . . . . 229 VAL CG1 . 17028 1
822 . 1 1 74 74 VAL CG2 C 13 20.766 . . 2 . . . . 229 VAL CG2 . 17028 1
823 . 1 1 74 74 VAL N N 15 122.820 . . 1 . . . . 229 VAL N . 17028 1
824 . 1 1 75 75 SER H H 1 9.313 . . 1 . . . . 230 SER HN . 17028 1
825 . 1 1 75 75 SER HA H 1 4.690 . . 1 . . . . 230 SER HA . 17028 1
826 . 1 1 75 75 SER HB2 H 1 4.982 . . 1 . . . . 230 SER HB1 . 17028 1
827 . 1 1 75 75 SER C C 13 176.312 . . 1 . . . . 230 SER C . 17028 1
828 . 1 1 75 75 SER CA C 13 60.039 . . 1 . . . . 230 SER CA . 17028 1
829 . 1 1 75 75 SER CB C 13 64.015 . . 1 . . . . 230 SER CB . 17028 1
830 . 1 1 75 75 SER N N 15 123.100 . . 1 . . . . 230 SER N . 17028 1
831 . 1 1 76 76 GLY H H 1 8.571 . . 1 . . . . 231 GLY HN . 17028 1
832 . 1 1 76 76 GLY HA2 H 1 4.116 . . 2 . . . . 231 GLY HA1 . 17028 1
833 . 1 1 76 76 GLY HA3 H 1 3.753 . . 2 . . . . 231 GLY HA2 . 17028 1
834 . 1 1 76 76 GLY C C 13 175.333 . . 1 . . . . 231 GLY C . 17028 1
835 . 1 1 76 76 GLY CA C 13 47.296 . . 1 . . . . 231 GLY CA . 17028 1
836 . 1 1 76 76 GLY N N 15 113.067 . . 1 . . . . 231 GLY N . 17028 1
837 . 1 1 77 77 ASN H H 1 8.575 . . 1 . . . . 232 ASN HN . 17028 1
838 . 1 1 77 77 ASN HA H 1 4.666 . . 1 . . . . 232 ASN HA . 17028 1
839 . 1 1 77 77 ASN HB2 H 1 2.905 . . 2 . . . . 232 ASN HB1 . 17028 1
840 . 1 1 77 77 ASN HB3 H 1 3.266 . . 2 . . . . 232 ASN HB2 . 17028 1
841 . 1 1 77 77 ASN HD21 H 1 7.866 . . 2 . . . . 232 ASN HD21 . 17028 1
842 . 1 1 77 77 ASN HD22 H 1 6.750 . . 2 . . . . 232 ASN HD22 . 17028 1
843 . 1 1 77 77 ASN C C 13 176.805 . . 1 . . . . 232 ASN C . 17028 1
844 . 1 1 77 77 ASN CA C 13 52.237 . . 1 . . . . 232 ASN CA . 17028 1
845 . 1 1 77 77 ASN CB C 13 37.532 . . 1 . . . . 232 ASN CB . 17028 1
846 . 1 1 77 77 ASN N N 15 116.163 . . 1 . . . . 232 ASN N . 17028 1
847 . 1 1 77 77 ASN ND2 N 15 112.850 . . 1 . . . . 232 ASN ND2 . 17028 1
848 . 1 1 78 78 GLY H H 1 8.199 . . 1 . . . . 233 GLY HN . 17028 1
849 . 1 1 78 78 GLY HA2 H 1 3.464 . . 2 . . . . 233 GLY HA1 . 17028 1
850 . 1 1 78 78 GLY HA3 H 1 3.943 . . 2 . . . . 233 GLY HA2 . 17028 1
851 . 1 1 78 78 GLY C C 13 173.422 . . 1 . . . . 233 GLY C . 17028 1
852 . 1 1 78 78 GLY CA C 13 45.584 . . 1 . . . . 233 GLY CA . 17028 1
853 . 1 1 78 78 GLY N N 15 108.695 . . 1 . . . . 233 GLY N . 17028 1
854 . 1 1 79 79 GLU H H 1 7.415 . . 1 . . . . 234 GLU HN . 17028 1
855 . 1 1 79 79 GLU HA H 1 3.860 . . 1 . . . . 234 GLU HA . 17028 1
856 . 1 1 79 79 GLU HB2 H 1 1.287 . . 2 . . . . 234 GLU HB1 . 17028 1
857 . 1 1 79 79 GLU HB3 H 1 1.288 . . 2 . . . . 234 GLU HB2 . 17028 1
858 . 1 1 79 79 GLU HG2 H 1 1.825 . . 2 . . . . 234 GLU HG1 . 17028 1
859 . 1 1 79 79 GLU HG3 H 1 1.550 . . 2 . . . . 234 GLU HG2 . 17028 1
860 . 1 1 79 79 GLU CA C 13 57.335 . . 1 . . . . 234 GLU CA . 17028 1
861 . 1 1 79 79 GLU CB C 13 30.307 . . 1 . . . . 234 GLU CB . 17028 1
862 . 1 1 79 79 GLU CG C 13 35.871 . . 1 . . . . 234 GLU CG . 17028 1
863 . 1 1 79 79 GLU N N 15 117.391 . . 1 . . . . 234 GLU N . 17028 1
864 . 1 1 80 80 PHE H H 1 7.931 . . 1 . . . . 235 PHE HN . 17028 1
865 . 1 1 80 80 PHE HA H 1 5.211 . . 1 . . . . 235 PHE HA . 17028 1
866 . 1 1 80 80 PHE HB2 H 1 2.732 . . 2 . . . . 235 PHE HB1 . 17028 1
867 . 1 1 80 80 PHE HB3 H 1 3.441 . . 2 . . . . 235 PHE HB2 . 17028 1
868 . 1 1 80 80 PHE HD1 H 1 7.376 . . 3 . . . . 235 PHE HD1 . 17028 1
869 . 1 1 80 80 PHE HD2 H 1 7.376 . . 3 . . . . 235 PHE HD2 . 17028 1
870 . 1 1 80 80 PHE HE1 H 1 7.371 . . 3 . . . . 235 PHE HE1 . 17028 1
871 . 1 1 80 80 PHE HE2 H 1 7.371 . . 3 . . . . 235 PHE HE2 . 17028 1
872 . 1 1 80 80 PHE C C 13 173.828 . . 1 . . . . 235 PHE C . 17028 1
873 . 1 1 80 80 PHE CA C 13 55.978 . . 1 . . . . 235 PHE CA . 17028 1
874 . 1 1 80 80 PHE CB C 13 43.395 . . 1 . . . . 235 PHE CB . 17028 1
875 . 1 1 80 80 PHE CD1 C 13 131.952 . . 3 . . . . 235 PHE CD1 . 17028 1
876 . 1 1 80 80 PHE CD2 C 13 131.952 . . 3 . . . . 235 PHE CD2 . 17028 1
877 . 1 1 80 80 PHE CE1 C 13 131.935 . . 3 . . . . 235 PHE CE1 . 17028 1
878 . 1 1 80 80 PHE CE2 C 13 131.935 . . 3 . . . . 235 PHE CE2 . 17028 1
879 . 1 1 80 80 PHE N N 15 115.246 . . 1 . . . . 235 PHE N . 17028 1
880 . 1 1 81 81 ALA H H 1 8.726 . . 1 . . . . 236 ALA HN . 17028 1
881 . 1 1 81 81 ALA HA H 1 5.477 . . 1 . . . . 236 ALA HA . 17028 1
882 . 1 1 81 81 ALA HB1 H 1 1.198 . . 1 . . . . 236 ALA HB1 . 17028 1
883 . 1 1 81 81 ALA HB2 H 1 1.198 . . 1 . . . . 236 ALA HB1 . 17028 1
884 . 1 1 81 81 ALA HB3 H 1 1.198 . . 1 . . . . 236 ALA HB1 . 17028 1
885 . 1 1 81 81 ALA C C 13 175.096 . . 1 . . . . 236 ALA C . 17028 1
886 . 1 1 81 81 ALA CA C 13 50.475 . . 1 . . . . 236 ALA CA . 17028 1
887 . 1 1 81 81 ALA CB C 13 23.709 . . 1 . . . . 236 ALA CB . 17028 1
888 . 1 1 81 81 ALA N N 15 121.144 . . 1 . . . . 236 ALA N . 17028 1
889 . 1 1 82 82 ALA H H 1 9.240 . . 1 . . . . 237 ALA HN . 17028 1
890 . 1 1 82 82 ALA HA H 1 4.712 . . 1 . . . . 237 ALA HA . 17028 1
891 . 1 1 82 82 ALA HB1 H 1 1.238 . . 1 . . . . 237 ALA HB1 . 17028 1
892 . 1 1 82 82 ALA HB2 H 1 1.238 . . 1 . . . . 237 ALA HB1 . 17028 1
893 . 1 1 82 82 ALA HB3 H 1 1.238 . . 1 . . . . 237 ALA HB1 . 17028 1
894 . 1 1 82 82 ALA C C 13 174.770 . . 1 . . . . 237 ALA C . 17028 1
895 . 1 1 82 82 ALA CA C 13 51.022 . . 1 . . . . 237 ALA CA . 17028 1
896 . 1 1 82 82 ALA CB C 13 22.813 . . 1 . . . . 237 ALA CB . 17028 1
897 . 1 1 82 82 ALA N N 15 122.119 . . 1 . . . . 237 ALA N . 17028 1
898 . 1 1 83 83 VAL H H 1 8.506 . . 1 . . . . 238 VAL HN . 17028 1
899 . 1 1 83 83 VAL HA H 1 4.476 . . 1 . . . . 238 VAL HA . 17028 1
900 . 1 1 83 83 VAL HB H 1 1.984 . . 1 . . . . 238 VAL HB . 17028 1
901 . 1 1 83 83 VAL HG11 H 1 0.697 . . 4 . . . . 238 VAL HG11 . 17028 1
902 . 1 1 83 83 VAL HG12 H 1 0.697 . . 4 . . . . 238 VAL HG11 . 17028 1
903 . 1 1 83 83 VAL HG13 H 1 0.697 . . 4 . . . . 238 VAL HG11 . 17028 1
904 . 1 1 83 83 VAL HG21 H 1 0.698 . . 4 . . . . 238 VAL HG21 . 17028 1
905 . 1 1 83 83 VAL HG22 H 1 0.698 . . 4 . . . . 238 VAL HG21 . 17028 1
906 . 1 1 83 83 VAL HG23 H 1 0.698 . . 4 . . . . 238 VAL HG21 . 17028 1
907 . 1 1 83 83 VAL C C 13 174.625 . . 1 . . . . 238 VAL C . 17028 1
908 . 1 1 83 83 VAL CA C 13 61.466 . . 1 . . . . 238 VAL CA . 17028 1
909 . 1 1 83 83 VAL CB C 13 34.410 . . 1 . . . . 238 VAL CB . 17028 1
910 . 1 1 83 83 VAL CG1 C 13 21.837 . . 2 . . . . 238 VAL CG1 . 17028 1
911 . 1 1 83 83 VAL CG2 C 13 21.837 . . 2 . . . . 238 VAL CG2 . 17028 1
912 . 1 1 83 83 VAL N N 15 118.594 . . 1 . . . . 238 VAL N . 17028 1
913 . 1 1 84 84 ALA H H 1 7.903 . . 1 . . . . 239 ALA HN . 17028 1
914 . 1 1 84 84 ALA HA H 1 5.133 . . 1 . . . . 239 ALA HA . 17028 1
915 . 1 1 84 84 ALA HB1 H 1 1.138 . . 1 . . . . 239 ALA HB1 . 17028 1
916 . 1 1 84 84 ALA HB2 H 1 1.138 . . 1 . . . . 239 ALA HB1 . 17028 1
917 . 1 1 84 84 ALA HB3 H 1 1.138 . . 1 . . . . 239 ALA HB1 . 17028 1
918 . 1 1 84 84 ALA C C 13 175.625 . . 1 . . . . 239 ALA C . 17028 1
919 . 1 1 84 84 ALA CA C 13 49.984 . . 1 . . . . 239 ALA CA . 17028 1
920 . 1 1 84 84 ALA CB C 13 21.013 . . 1 . . . . 239 ALA CB . 17028 1
921 . 1 1 84 84 ALA N N 15 130.299 . . 1 . . . . 239 ALA N . 17028 1
922 . 1 1 85 85 GLU H H 1 8.540 . . 1 . . . . 240 GLU HN . 17028 1
923 . 1 1 85 85 GLU HA H 1 4.734 . . 1 . . . . 240 GLU HA . 17028 1
924 . 1 1 85 85 GLU HB2 H 1 2.025 . . 1 . . . . 240 GLU HB1 . 17028 1
925 . 1 1 85 85 GLU HB3 H 1 2.024 . . 2 . . . . 240 GLU HB2 . 17028 1
926 . 1 1 85 85 GLU HG2 H 1 2.032 . . 2 . . . . 240 GLU HG1 . 17028 1
927 . 1 1 85 85 GLU HG3 H 1 2.144 . . 2 . . . . 240 GLU HG2 . 17028 1
928 . 1 1 85 85 GLU C C 13 174.717 . . 1 . . . . 240 GLU C . 17028 1
929 . 1 1 85 85 GLU CA C 13 55.724 . . 1 . . . . 240 GLU CA . 17028 1
930 . 1 1 85 85 GLU CB C 13 31.685 . . 1 . . . . 240 GLU CB . 17028 1
931 . 1 1 85 85 GLU CG C 13 36.608 . . 1 . . . . 240 GLU CG . 17028 1
932 . 1 1 85 85 GLU N N 15 123.159 . . 1 . . . . 240 GLU N . 17028 1
933 . 1 1 86 86 ILE H H 1 8.968 . . 1 . . . . 241 ILE HN . 17028 1
934 . 1 1 86 86 ILE HA H 1 4.845 . . 1 . . . . 241 ILE HA . 17028 1
935 . 1 1 86 86 ILE HB H 1 2.162 . . 1 . . . . 241 ILE HB . 17028 1
936 . 1 1 86 86 ILE HD11 H 1 0.522 . . 1 . . . . 241 ILE HD11 . 17028 1
937 . 1 1 86 86 ILE HD12 H 1 0.522 . . 1 . . . . 241 ILE HD11 . 17028 1
938 . 1 1 86 86 ILE HD13 H 1 0.522 . . 1 . . . . 241 ILE HD11 . 17028 1
939 . 1 1 86 86 ILE HG12 H 1 1.529 . . 9 . . . . 241 ILE HG11 . 17028 1
940 . 1 1 86 86 ILE HG13 H 1 1.035 . . 9 . . . . 241 ILE HG12 . 17028 1
941 . 1 1 86 86 ILE HG21 H 1 0.605 . . 2 . . . . 241 ILE HG21 . 17028 1
942 . 1 1 86 86 ILE HG22 H 1 0.605 . . 2 . . . . 241 ILE HG21 . 17028 1
943 . 1 1 86 86 ILE HG23 H 1 0.605 . . 2 . . . . 241 ILE HG21 . 17028 1
944 . 1 1 86 86 ILE C C 13 175.241 . . 1 . . . . 241 ILE C . 17028 1
945 . 1 1 86 86 ILE CA C 13 57.071 . . 1 . . . . 241 ILE CA . 17028 1
946 . 1 1 86 86 ILE CB C 13 37.532 . . 1 . . . . 241 ILE CB . 17028 1
947 . 1 1 86 86 ILE CD1 C 13 10.840 . . 1 . . . . 241 ILE CD1 . 17028 1
948 . 1 1 86 86 ILE CG1 C 13 27.806 . . 1 . . . . 241 ILE CG1 . 17028 1
949 . 1 1 86 86 ILE CG2 C 13 17.657 . . 1 . . . . 241 ILE CG2 . 17028 1
950 . 1 1 86 86 ILE N N 15 128.181 . . 1 . . . . 241 ILE N . 17028 1
951 . 1 1 87 87 THR H H 1 8.463 . . 1 . . . . 242 THR HN . 17028 1
952 . 1 1 87 87 THR HA H 1 4.629 . . 1 . . . . 242 THR HA . 17028 1
953 . 1 1 87 87 THR HB H 1 4.009 . . 1 . . . . 242 THR HB . 17028 1
954 . 1 1 87 87 THR HG21 H 1 1.011 . . 1 . . . . 242 THR HG21 . 17028 1
955 . 1 1 87 87 THR HG22 H 1 1.011 . . 1 . . . . 242 THR HG21 . 17028 1
956 . 1 1 87 87 THR HG23 H 1 1.011 . . 1 . . . . 242 THR HG21 . 17028 1
957 . 1 1 87 87 THR C C 13 173.023 . . 1 . . . . 242 THR C . 17028 1
958 . 1 1 87 87 THR CA C 13 62.831 . . 1 . . . . 242 THR CA . 17028 1
959 . 1 1 87 87 THR CB C 13 69.624 . . 1 . . . . 242 THR CB . 17028 1
960 . 1 1 87 87 THR CG2 C 13 20.299 . . 1 . . . . 242 THR CG2 . 17028 1
961 . 1 1 87 87 THR N N 15 123.897 . . 1 . . . . 242 THR N . 17028 1
962 . 1 1 88 88 VAL H H 1 9.330 . . 1 . . . . 243 VAL HN . 17028 1
963 . 1 1 88 88 VAL HA H 1 5.280 . . 1 . . . . 243 VAL HA . 17028 1
964 . 1 1 88 88 VAL HB H 1 2.565 . . 1 . . . . 243 VAL HB . 17028 1
965 . 1 1 88 88 VAL HG11 H 1 0.855 . . 2 . . . . 243 VAL HG11 . 17028 1
966 . 1 1 88 88 VAL HG12 H 1 0.855 . . 2 . . . . 243 VAL HG11 . 17028 1
967 . 1 1 88 88 VAL HG13 H 1 0.855 . . 2 . . . . 243 VAL HG11 . 17028 1
968 . 1 1 88 88 VAL HG21 H 1 0.642 . . 2 . . . . 243 VAL HG21 . 17028 1
969 . 1 1 88 88 VAL HG22 H 1 0.642 . . 2 . . . . 243 VAL HG21 . 17028 1
970 . 1 1 88 88 VAL HG23 H 1 0.642 . . 2 . . . . 243 VAL HG21 . 17028 1
971 . 1 1 88 88 VAL C C 13 178.098 . . 1 . . . . 243 VAL C . 17028 1
972 . 1 1 88 88 VAL CA C 13 60.099 . . 1 . . . . 243 VAL CA . 17028 1
973 . 1 1 88 88 VAL CB C 13 31.481 . . 1 . . . . 243 VAL CB . 17028 1
974 . 1 1 88 88 VAL CG1 C 13 19.741 . . 2 . . . . 243 VAL CG1 . 17028 1
975 . 1 1 88 88 VAL CG2 C 13 20.858 . . 2 . . . . 243 VAL CG2 . 17028 1
976 . 1 1 88 88 VAL N N 15 129.586 . . 1 . . . . 243 VAL N . 17028 1
977 . 1 1 89 89 THR H H 1 9.275 . . 1 . . . . 244 THR HN . 17028 1
978 . 1 1 89 89 THR HA H 1 4.732 . . 1 . . . . 244 THR HA . 17028 1
979 . 1 1 89 89 THR HB H 1 4.540 . . 1 . . . . 244 THR HB . 17028 1
980 . 1 1 89 89 THR HG21 H 1 1.111 . . 1 . . . . 244 THR HG21 . 17028 1
981 . 1 1 89 89 THR HG22 H 1 1.111 . . 1 . . . . 244 THR HG21 . 17028 1
982 . 1 1 89 89 THR HG23 H 1 1.111 . . 1 . . . . 244 THR HG21 . 17028 1
983 . 1 1 89 89 THR CA C 13 60.351 . . 1 . . . . 244 THR CA . 17028 1
984 . 1 1 89 89 THR CB C 13 70.047 . . 1 . . . . 244 THR CB . 17028 1
985 . 1 1 89 89 THR CG2 C 13 21.493 . . 1 . . . . 244 THR CG2 . 17028 1
986 . 1 1 89 89 THR N N 15 120.833 . . 1 . . . . 244 THR N . 17028 1
987 . 1 1 90 90 ALA H H 1 8.901 . . 1 . . . . 245 ALA HN . 17028 1
988 . 1 1 90 90 ALA HA H 1 4.185 . . 1 . . . . 245 ALA HA . 17028 1
989 . 1 1 90 90 ALA HB1 H 1 1.468 . . 1 . . . . 245 ALA HB1 . 17028 1
990 . 1 1 90 90 ALA HB2 H 1 1.468 . . 1 . . . . 245 ALA HB1 . 17028 1
991 . 1 1 90 90 ALA HB3 H 1 1.468 . . 1 . . . . 245 ALA HB1 . 17028 1
992 . 1 1 90 90 ALA C C 13 176.869 . . 1 . . . . 245 ALA C . 17028 1
993 . 1 1 90 90 ALA CA C 13 53.608 . . 1 . . . . 245 ALA CA . 17028 1
994 . 1 1 90 90 ALA CB C 13 19.097 . . 1 . . . . 245 ALA CB . 17028 1
995 . 1 1 90 90 ALA N N 15 122.820 . . 1 . . . . 245 ALA N . 17028 1
996 . 1 1 91 91 SER H H 1 7.740 . . 1 . . . . 246 SER HN . 17028 1
997 . 1 1 91 91 SER HA H 1 4.132 . . 1 . . . . 246 SER HA . 17028 1
998 . 1 1 91 91 SER CA C 13 59.267 . . 1 . . . . 246 SER CA . 17028 1
999 . 1 1 91 91 SER CB C 13 64.736 . . 1 . . . . 246 SER CB . 17028 1
1000 . 1 1 91 91 SER N N 15 116.362 . . 1 . . . . 246 SER N . 17028 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 91 17028 1
1 92 17028 1
1 93 17028 1
1 94 17028 1
1 95 17028 1
1 96 17028 1
2 159 17028 1
2 160 17028 1
2 161 17028 1
2 162 17028 1
2 163 17028 1
2 164 17028 1
3 174 17028 1
3 175 17028 1
3 176 17028 1
3 177 17028 1
3 178 17028 1
3 179 17028 1
4 285 17028 1
4 286 17028 1
4 287 17028 1
4 288 17028 1
4 289 17028 1
4 290 17028 1
5 363 17028 1
5 364 17028 1
5 365 17028 1
5 366 17028 1
5 367 17028 1
5 368 17028 1
6 549 17028 1
6 550 17028 1
6 551 17028 1
6 552 17028 1
6 553 17028 1
6 554 17028 1
7 572 17028 1
7 573 17028 1
7 574 17028 1
7 575 17028 1
7 576 17028 1
7 577 17028 1
8 656 17028 1
8 657 17028 1
8 658 17028 1
8 659 17028 1
8 660 17028 1
8 661 17028 1
9 688 17028 1
9 689 17028 1
9 690 17028 1
9 691 17028 1
9 692 17028 1
9 693 17028 1
10 744 17028 1
10 745 17028 1
10 746 17028 1
10 747 17028 1
10 748 17028 1
10 749 17028 1
11 797 17028 1
11 798 17028 1
11 799 17028 1
11 800 17028 1
11 801 17028 1
11 802 17028 1
12 812 17028 1
12 813 17028 1
12 814 17028 1
12 815 17028 1
12 816 17028 1
12 817 17028 1
13 901 17028 1
13 902 17028 1
13 903 17028 1
13 904 17028 1
13 905 17028 1
13 906 17028 1
stop_
save_