data_11227
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11227
_Entry.Title
;
Solution structure of the second fn3 domain from human Ephrin type-B receptor 4
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-07-23
_Entry.Accession_date 2010-07-23
_Entry.Last_release_date 2011-08-03
_Entry.Original_release_date 2011-08-03
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.14
_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 X. Qin . . . 11227
2 F. Hayashi . . . 11227
3 S. Yokoyama . . . 11227
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
. 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11227
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11227
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 428 11227
'15N chemical shifts' 94 11227
'1H chemical shifts' 665 11227
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2011-08-03 2010-07-23 original author . 11227
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2E7H 'BMRB Entry Tracking System' 11227
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 11227
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'Solution structure of the second fn3 domain from human Ephrin type-B receptor 4'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_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 X. Qin . . . 11227 1
2 F. Hayashi . . . 11227 1
3 S. Yokoyama . . . 11227 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11227
_Assembly.ID 1
_Assembly.Name 'Ephrin type-B receptor 4'
_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 E.C.2.7.10.1
_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 'FN3 domain' 1 $entity_1 A . yes native no no . . . 11227 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 2e7h . . . . . . 11227 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 11227
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'FN3 domain'
_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
;
GSSGSSGPPAVSDIRVTRSS
PSSLSLAWAVPRAPSGAVLD
YEVKYHEKGAEGPSSVRFLK
TSENRAELRGLKRGASYLVQ
VRARSEAGYGPFGQEHHSQT
QLDSGPSSG
;
_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 109
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
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 2E7H . "Solution Structure Of The Second Fn3 Domain From Human Ephrin Type-B Receptor 4" . . . . . 100.00 109 100.00 100.00 4.79e-69 . . . . 11227 1
2 no DBJ BAD92881 . "ephrin receptor EphB4 precursor variant [Homo sapiens]" . . . . . 88.07 986 100.00 100.00 4.53e-55 . . . . 11227 1
3 no GB AAA20598 . "tyrosine kinase [Homo sapiens]" . . . . . 88.07 987 98.96 98.96 4.12e-54 . . . . 11227 1
4 no GB AAH04264 . "EPHB4 protein, partial [Homo sapiens]" . . . . . 88.07 845 100.00 100.00 1.77e-55 . . . . 11227 1
5 no GB AAH52804 . "EPH receptor B4 [Homo sapiens]" . . . . . 88.07 987 100.00 100.00 4.80e-55 . . . . 11227 1
6 no GB AAK21010 . "ephrin type-B receptor 4 precursor [Homo sapiens]" . . . . . 88.07 987 100.00 100.00 4.04e-55 . . . . 11227 1
7 no GB AAL14194 . "receptor protein tyrosine kinase EphB4 [Homo sapiens]" . . . . . 88.07 987 100.00 100.00 4.04e-55 . . . . 11227 1
8 no REF NP_001193197 . "ephrin type-B receptor 4 precursor [Bos taurus]" . . . . . 88.07 987 98.96 98.96 1.70e-54 . . . . 11227 1
9 no REF NP_004435 . "ephrin type-B receptor 4 precursor [Homo sapiens]" . . . . . 88.07 987 100.00 100.00 4.04e-55 . . . . 11227 1
10 no REF XP_002711965 . "PREDICTED: ephrin type-B receptor 4 [Oryctolagus cuniculus]" . . . . . 88.07 987 100.00 100.00 2.99e-55 . . . . 11227 1
11 no REF XP_002803271 . "PREDICTED: ephrin type-B receptor 4-like [Macaca mulatta]" . . . . . 88.07 893 100.00 100.00 1.34e-55 . . . . 11227 1
12 no REF XP_002806627 . "PREDICTED: LOW QUALITY PROTEIN: ephrin type-B receptor 4 [Callithrix jacchus]" . . . . . 88.07 987 98.96 98.96 1.47e-54 . . . . 11227 1
13 no SP P54760 . "RecName: Full=Ephrin type-B receptor 4; AltName: Full=Hepatoma transmembrane kinase; AltName: Full=Tyrosine-protein kinase TYRO" . . . . . 88.07 987 100.00 100.00 4.04e-55 . . . . 11227 1
14 no TPG DAA15196 . "TPA: ephrin receptor EphB3-like [Bos taurus]" . . . . . 88.07 987 98.96 98.96 1.74e-54 . . . . 11227 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'FN3 domain' . 11227 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 . GLY . 11227 1
2 . SER . 11227 1
3 . SER . 11227 1
4 . GLY . 11227 1
5 . SER . 11227 1
6 . SER . 11227 1
7 . GLY . 11227 1
8 . PRO . 11227 1
9 . PRO . 11227 1
10 . ALA . 11227 1
11 . VAL . 11227 1
12 . SER . 11227 1
13 . ASP . 11227 1
14 . ILE . 11227 1
15 . ARG . 11227 1
16 . VAL . 11227 1
17 . THR . 11227 1
18 . ARG . 11227 1
19 . SER . 11227 1
20 . SER . 11227 1
21 . PRO . 11227 1
22 . SER . 11227 1
23 . SER . 11227 1
24 . LEU . 11227 1
25 . SER . 11227 1
26 . LEU . 11227 1
27 . ALA . 11227 1
28 . TRP . 11227 1
29 . ALA . 11227 1
30 . VAL . 11227 1
31 . PRO . 11227 1
32 . ARG . 11227 1
33 . ALA . 11227 1
34 . PRO . 11227 1
35 . SER . 11227 1
36 . GLY . 11227 1
37 . ALA . 11227 1
38 . VAL . 11227 1
39 . LEU . 11227 1
40 . ASP . 11227 1
41 . TYR . 11227 1
42 . GLU . 11227 1
43 . VAL . 11227 1
44 . LYS . 11227 1
45 . TYR . 11227 1
46 . HIS . 11227 1
47 . GLU . 11227 1
48 . LYS . 11227 1
49 . GLY . 11227 1
50 . ALA . 11227 1
51 . GLU . 11227 1
52 . GLY . 11227 1
53 . PRO . 11227 1
54 . SER . 11227 1
55 . SER . 11227 1
56 . VAL . 11227 1
57 . ARG . 11227 1
58 . PHE . 11227 1
59 . LEU . 11227 1
60 . LYS . 11227 1
61 . THR . 11227 1
62 . SER . 11227 1
63 . GLU . 11227 1
64 . ASN . 11227 1
65 . ARG . 11227 1
66 . ALA . 11227 1
67 . GLU . 11227 1
68 . LEU . 11227 1
69 . ARG . 11227 1
70 . GLY . 11227 1
71 . LEU . 11227 1
72 . LYS . 11227 1
73 . ARG . 11227 1
74 . GLY . 11227 1
75 . ALA . 11227 1
76 . SER . 11227 1
77 . TYR . 11227 1
78 . LEU . 11227 1
79 . VAL . 11227 1
80 . GLN . 11227 1
81 . VAL . 11227 1
82 . ARG . 11227 1
83 . ALA . 11227 1
84 . ARG . 11227 1
85 . SER . 11227 1
86 . GLU . 11227 1
87 . ALA . 11227 1
88 . GLY . 11227 1
89 . TYR . 11227 1
90 . GLY . 11227 1
91 . PRO . 11227 1
92 . PHE . 11227 1
93 . GLY . 11227 1
94 . GLN . 11227 1
95 . GLU . 11227 1
96 . HIS . 11227 1
97 . HIS . 11227 1
98 . SER . 11227 1
99 . GLN . 11227 1
100 . THR . 11227 1
101 . GLN . 11227 1
102 . LEU . 11227 1
103 . ASP . 11227 1
104 . SER . 11227 1
105 . GLY . 11227 1
106 . PRO . 11227 1
107 . SER . 11227 1
108 . SER . 11227 1
109 . GLY . 11227 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 11227 1
. SER 2 2 11227 1
. SER 3 3 11227 1
. GLY 4 4 11227 1
. SER 5 5 11227 1
. SER 6 6 11227 1
. GLY 7 7 11227 1
. PRO 8 8 11227 1
. PRO 9 9 11227 1
. ALA 10 10 11227 1
. VAL 11 11 11227 1
. SER 12 12 11227 1
. ASP 13 13 11227 1
. ILE 14 14 11227 1
. ARG 15 15 11227 1
. VAL 16 16 11227 1
. THR 17 17 11227 1
. ARG 18 18 11227 1
. SER 19 19 11227 1
. SER 20 20 11227 1
. PRO 21 21 11227 1
. SER 22 22 11227 1
. SER 23 23 11227 1
. LEU 24 24 11227 1
. SER 25 25 11227 1
. LEU 26 26 11227 1
. ALA 27 27 11227 1
. TRP 28 28 11227 1
. ALA 29 29 11227 1
. VAL 30 30 11227 1
. PRO 31 31 11227 1
. ARG 32 32 11227 1
. ALA 33 33 11227 1
. PRO 34 34 11227 1
. SER 35 35 11227 1
. GLY 36 36 11227 1
. ALA 37 37 11227 1
. VAL 38 38 11227 1
. LEU 39 39 11227 1
. ASP 40 40 11227 1
. TYR 41 41 11227 1
. GLU 42 42 11227 1
. VAL 43 43 11227 1
. LYS 44 44 11227 1
. TYR 45 45 11227 1
. HIS 46 46 11227 1
. GLU 47 47 11227 1
. LYS 48 48 11227 1
. GLY 49 49 11227 1
. ALA 50 50 11227 1
. GLU 51 51 11227 1
. GLY 52 52 11227 1
. PRO 53 53 11227 1
. SER 54 54 11227 1
. SER 55 55 11227 1
. VAL 56 56 11227 1
. ARG 57 57 11227 1
. PHE 58 58 11227 1
. LEU 59 59 11227 1
. LYS 60 60 11227 1
. THR 61 61 11227 1
. SER 62 62 11227 1
. GLU 63 63 11227 1
. ASN 64 64 11227 1
. ARG 65 65 11227 1
. ALA 66 66 11227 1
. GLU 67 67 11227 1
. LEU 68 68 11227 1
. ARG 69 69 11227 1
. GLY 70 70 11227 1
. LEU 71 71 11227 1
. LYS 72 72 11227 1
. ARG 73 73 11227 1
. GLY 74 74 11227 1
. ALA 75 75 11227 1
. SER 76 76 11227 1
. TYR 77 77 11227 1
. LEU 78 78 11227 1
. VAL 79 79 11227 1
. GLN 80 80 11227 1
. VAL 81 81 11227 1
. ARG 82 82 11227 1
. ALA 83 83 11227 1
. ARG 84 84 11227 1
. SER 85 85 11227 1
. GLU 86 86 11227 1
. ALA 87 87 11227 1
. GLY 88 88 11227 1
. TYR 89 89 11227 1
. GLY 90 90 11227 1
. PRO 91 91 11227 1
. PHE 92 92 11227 1
. GLY 93 93 11227 1
. GLN 94 94 11227 1
. GLU 95 95 11227 1
. HIS 96 96 11227 1
. HIS 97 97 11227 1
. SER 98 98 11227 1
. GLN 99 99 11227 1
. THR 100 100 11227 1
. GLN 101 101 11227 1
. LEU 102 102 11227 1
. ASP 103 103 11227 1
. SER 104 104 11227 1
. GLY 105 105 11227 1
. PRO 106 106 11227 1
. SER 107 107 11227 1
. SER 108 108 11227 1
. GLY 109 109 11227 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 11227
_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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11227 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 11227
_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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050919-21 . . . . . . 11227 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11227
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
0.80mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O
;
_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 'FN3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.80 . . mM . . . . 11227 1
2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11227 1
3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11227 1
4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11227 1
5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11227 1
6 H2O . . . . . . solvent 90 . . % . . . . 11227 1
7 D2O . . . . . . solvent 10 . . % . . . . 11227 1
stop_
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode condition_1
_Sample_condition_list.Entry_ID 11227
_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' 120 0.1 mM 11227 1
pH 7.0 0.05 pH 11227 1
pressure 1 0.001 atm 11227 1
temperature 298 0.1 K 11227 1
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Software.Sf_category software
_Software.Sf_framecode VNMR
_Software.Entry_ID 11227
_Software.ID 1
_Software.Name VNMR
_Software.Version 6.1C
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Varian . . 11227 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11227 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 11227
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20031121
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, F.' . . 11227 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 11227 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 11227
_Software.ID 3
_Software.Name NMRView
_Software.Version 5.0.4
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Johnson, B.A.' . . 11227 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11227 3
stop_
save_
save_Kujira
_Software.Sf_category software
_Software.Sf_framecode Kujira
_Software.Entry_ID 11227
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.9816
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi, N.' . . 11227 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11227 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11227
_Software.ID 5
_Software.Name CYANA
_Software.Version 2.0.17
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, P.' . . 11227 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 11227 5
'structure solution' 11227 5
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 11227
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 11227
_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 . 800 . . . 11227 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 11227
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11227 1
2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11227 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode reference_1
_Chem_shift_reference.Entry_ID 11227
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11227 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11227 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11227 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11227
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11227 1
2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11227 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $VNMR . . 11227 1
2 $NMRPipe . . 11227 1
3 $NMRView . . 11227 1
4 $Kujira . . 11227 1
5 $CYANA . . 11227 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 6 6 SER HA H 1 4.538 0.030 . 1 . . . . 6 SER HA . 11227 1
2 . 1 1 6 6 SER HB2 H 1 3.857 0.030 . 1 . . . . 6 SER HB2 . 11227 1
3 . 1 1 6 6 SER HB3 H 1 3.857 0.030 . 1 . . . . 6 SER HB3 . 11227 1
4 . 1 1 6 6 SER C C 13 174.129 0.300 . 1 . . . . 6 SER C . 11227 1
5 . 1 1 6 6 SER CA C 13 58.196 0.300 . 1 . . . . 6 SER CA . 11227 1
6 . 1 1 6 6 SER CB C 13 64.034 0.300 . 1 . . . . 6 SER CB . 11227 1
7 . 1 1 7 7 GLY H H 1 8.120 0.030 . 1 . . . . 7 GLY H . 11227 1
8 . 1 1 7 7 GLY HA2 H 1 3.691 0.030 . 2 . . . . 7 GLY HA2 . 11227 1
9 . 1 1 7 7 GLY HA3 H 1 3.907 0.030 . 2 . . . . 7 GLY HA3 . 11227 1
10 . 1 1 7 7 GLY C C 13 170.193 0.300 . 1 . . . . 7 GLY C . 11227 1
11 . 1 1 7 7 GLY CA C 13 44.168 0.300 . 1 . . . . 7 GLY CA . 11227 1
12 . 1 1 7 7 GLY N N 15 109.322 0.300 . 1 . . . . 7 GLY N . 11227 1
13 . 1 1 8 8 PRO HA H 1 4.636 0.030 . 1 . . . . 8 PRO HA . 11227 1
14 . 1 1 8 8 PRO HB2 H 1 1.824 0.030 . 2 . . . . 8 PRO HB2 . 11227 1
15 . 1 1 8 8 PRO HB3 H 1 2.066 0.030 . 2 . . . . 8 PRO HB3 . 11227 1
16 . 1 1 8 8 PRO HD2 H 1 3.707 0.030 . 2 . . . . 8 PRO HD2 . 11227 1
17 . 1 1 8 8 PRO HD3 H 1 3.419 0.030 . 2 . . . . 8 PRO HD3 . 11227 1
18 . 1 1 8 8 PRO HG2 H 1 1.832 0.030 . 2 . . . . 8 PRO HG2 . 11227 1
19 . 1 1 8 8 PRO HG3 H 1 1.709 0.030 . 2 . . . . 8 PRO HG3 . 11227 1
20 . 1 1 8 8 PRO CA C 13 61.597 0.300 . 1 . . . . 8 PRO CA . 11227 1
21 . 1 1 8 8 PRO CB C 13 30.731 0.300 . 1 . . . . 8 PRO CB . 11227 1
22 . 1 1 8 8 PRO CD C 13 49.382 0.300 . 1 . . . . 8 PRO CD . 11227 1
23 . 1 1 8 8 PRO CG C 13 27.761 0.300 . 1 . . . . 8 PRO CG . 11227 1
24 . 1 1 9 9 PRO HA H 1 4.576 0.030 . 1 . . . . 9 PRO HA . 11227 1
25 . 1 1 9 9 PRO HB2 H 1 2.377 0.030 . 2 . . . . 9 PRO HB2 . 11227 1
26 . 1 1 9 9 PRO HB3 H 1 2.047 0.030 . 2 . . . . 9 PRO HB3 . 11227 1
27 . 1 1 9 9 PRO HD2 H 1 3.298 0.030 . 2 . . . . 9 PRO HD2 . 11227 1
28 . 1 1 9 9 PRO HD3 H 1 3.758 0.030 . 2 . . . . 9 PRO HD3 . 11227 1
29 . 1 1 9 9 PRO HG2 H 1 2.088 0.030 . 2 . . . . 9 PRO HG2 . 11227 1
30 . 1 1 9 9 PRO HG3 H 1 1.974 0.030 . 2 . . . . 9 PRO HG3 . 11227 1
31 . 1 1 9 9 PRO C C 13 175.611 0.300 . 1 . . . . 9 PRO C . 11227 1
32 . 1 1 9 9 PRO CA C 13 61.972 0.300 . 1 . . . . 9 PRO CA . 11227 1
33 . 1 1 9 9 PRO CB C 13 32.511 0.300 . 1 . . . . 9 PRO CB . 11227 1
34 . 1 1 9 9 PRO CD C 13 50.108 0.300 . 1 . . . . 9 PRO CD . 11227 1
35 . 1 1 9 9 PRO CG C 13 27.325 0.300 . 1 . . . . 9 PRO CG . 11227 1
36 . 1 1 10 10 ALA H H 1 8.318 0.030 . 1 . . . . 10 ALA H . 11227 1
37 . 1 1 10 10 ALA HA H 1 4.259 0.030 . 1 . . . . 10 ALA HA . 11227 1
38 . 1 1 10 10 ALA HB1 H 1 1.290 0.030 . 1 . . . . 10 ALA HB . 11227 1
39 . 1 1 10 10 ALA HB2 H 1 1.290 0.030 . 1 . . . . 10 ALA HB . 11227 1
40 . 1 1 10 10 ALA HB3 H 1 1.290 0.030 . 1 . . . . 10 ALA HB . 11227 1
41 . 1 1 10 10 ALA C C 13 177.206 0.300 . 1 . . . . 10 ALA C . 11227 1
42 . 1 1 10 10 ALA CA C 13 52.222 0.300 . 1 . . . . 10 ALA CA . 11227 1
43 . 1 1 10 10 ALA CB C 13 19.355 0.300 . 1 . . . . 10 ALA CB . 11227 1
44 . 1 1 10 10 ALA N N 15 119.567 0.300 . 1 . . . . 10 ALA N . 11227 1
45 . 1 1 11 11 VAL H H 1 6.874 0.030 . 1 . . . . 11 VAL H . 11227 1
46 . 1 1 11 11 VAL HA H 1 4.183 0.030 . 1 . . . . 11 VAL HA . 11227 1
47 . 1 1 11 11 VAL HB H 1 1.804 0.030 . 1 . . . . 11 VAL HB . 11227 1
48 . 1 1 11 11 VAL HG11 H 1 0.641 0.030 . 1 . . . . 11 VAL HG1 . 11227 1
49 . 1 1 11 11 VAL HG12 H 1 0.641 0.030 . 1 . . . . 11 VAL HG1 . 11227 1
50 . 1 1 11 11 VAL HG13 H 1 0.641 0.030 . 1 . . . . 11 VAL HG1 . 11227 1
51 . 1 1 11 11 VAL HG21 H 1 0.940 0.030 . 1 . . . . 11 VAL HG2 . 11227 1
52 . 1 1 11 11 VAL HG22 H 1 0.940 0.030 . 1 . . . . 11 VAL HG2 . 11227 1
53 . 1 1 11 11 VAL HG23 H 1 0.940 0.030 . 1 . . . . 11 VAL HG2 . 11227 1
54 . 1 1 11 11 VAL C C 13 175.218 0.300 . 1 . . . . 11 VAL C . 11227 1
55 . 1 1 11 11 VAL CA C 13 62.676 0.300 . 1 . . . . 11 VAL CA . 11227 1
56 . 1 1 11 11 VAL CB C 13 31.920 0.300 . 1 . . . . 11 VAL CB . 11227 1
57 . 1 1 11 11 VAL CG1 C 13 22.177 0.300 . 2 . . . . 11 VAL CG1 . 11227 1
58 . 1 1 11 11 VAL CG2 C 13 22.285 0.300 . 2 . . . . 11 VAL CG2 . 11227 1
59 . 1 1 11 11 VAL N N 15 120.851 0.300 . 1 . . . . 11 VAL N . 11227 1
60 . 1 1 12 12 SER H H 1 9.120 0.030 . 1 . . . . 12 SER H . 11227 1
61 . 1 1 12 12 SER HA H 1 4.867 0.030 . 1 . . . . 12 SER HA . 11227 1
62 . 1 1 12 12 SER HB2 H 1 3.922 0.030 . 1 . . . . 12 SER HB2 . 11227 1
63 . 1 1 12 12 SER HB3 H 1 3.922 0.030 . 1 . . . . 12 SER HB3 . 11227 1
64 . 1 1 12 12 SER C C 13 172.565 0.300 . 1 . . . . 12 SER C . 11227 1
65 . 1 1 12 12 SER CA C 13 57.466 0.300 . 1 . . . . 12 SER CA . 11227 1
66 . 1 1 12 12 SER CB C 13 65.948 0.300 . 1 . . . . 12 SER CB . 11227 1
67 . 1 1 12 12 SER N N 15 122.954 0.300 . 1 . . . . 12 SER N . 11227 1
68 . 1 1 13 13 ASP H H 1 8.619 0.030 . 1 . . . . 13 ASP H . 11227 1
69 . 1 1 13 13 ASP HA H 1 4.505 0.030 . 1 . . . . 13 ASP HA . 11227 1
70 . 1 1 13 13 ASP HB2 H 1 2.880 0.030 . 2 . . . . 13 ASP HB2 . 11227 1
71 . 1 1 13 13 ASP HB3 H 1 2.635 0.030 . 2 . . . . 13 ASP HB3 . 11227 1
72 . 1 1 13 13 ASP C C 13 174.709 0.300 . 1 . . . . 13 ASP C . 11227 1
73 . 1 1 13 13 ASP CA C 13 54.456 0.300 . 1 . . . . 13 ASP CA . 11227 1
74 . 1 1 13 13 ASP CB C 13 39.996 0.300 . 1 . . . . 13 ASP CB . 11227 1
75 . 1 1 13 13 ASP N N 15 119.226 0.300 . 1 . . . . 13 ASP N . 11227 1
76 . 1 1 14 14 ILE H H 1 7.741 0.030 . 1 . . . . 14 ILE H . 11227 1
77 . 1 1 14 14 ILE HA H 1 4.493 0.030 . 1 . . . . 14 ILE HA . 11227 1
78 . 1 1 14 14 ILE HB H 1 1.247 0.030 . 1 . . . . 14 ILE HB . 11227 1
79 . 1 1 14 14 ILE HD11 H 1 0.715 0.030 . 1 . . . . 14 ILE HD1 . 11227 1
80 . 1 1 14 14 ILE HD12 H 1 0.715 0.030 . 1 . . . . 14 ILE HD1 . 11227 1
81 . 1 1 14 14 ILE HD13 H 1 0.715 0.030 . 1 . . . . 14 ILE HD1 . 11227 1
82 . 1 1 14 14 ILE HG12 H 1 1.402 0.030 . 2 . . . . 14 ILE HG12 . 11227 1
83 . 1 1 14 14 ILE HG13 H 1 0.709 0.030 . 2 . . . . 14 ILE HG13 . 11227 1
84 . 1 1 14 14 ILE HG21 H 1 0.574 0.030 . 1 . . . . 14 ILE HG2 . 11227 1
85 . 1 1 14 14 ILE HG22 H 1 0.574 0.030 . 1 . . . . 14 ILE HG2 . 11227 1
86 . 1 1 14 14 ILE HG23 H 1 0.574 0.030 . 1 . . . . 14 ILE HG2 . 11227 1
87 . 1 1 14 14 ILE C C 13 175.345 0.300 . 1 . . . . 14 ILE C . 11227 1
88 . 1 1 14 14 ILE CA C 13 61.644 0.300 . 1 . . . . 14 ILE CA . 11227 1
89 . 1 1 14 14 ILE CB C 13 38.871 0.300 . 1 . . . . 14 ILE CB . 11227 1
90 . 1 1 14 14 ILE CD1 C 13 14.640 0.300 . 1 . . . . 14 ILE CD1 . 11227 1
91 . 1 1 14 14 ILE CG1 C 13 28.970 0.300 . 1 . . . . 14 ILE CG1 . 11227 1
92 . 1 1 14 14 ILE CG2 C 13 17.693 0.300 . 1 . . . . 14 ILE CG2 . 11227 1
93 . 1 1 14 14 ILE N N 15 119.813 0.300 . 1 . . . . 14 ILE N . 11227 1
94 . 1 1 15 15 ARG H H 1 9.228 0.030 . 1 . . . . 15 ARG H . 11227 1
95 . 1 1 15 15 ARG HA H 1 4.631 0.030 . 1 . . . . 15 ARG HA . 11227 1
96 . 1 1 15 15 ARG HB2 H 1 1.692 0.030 . 2 . . . . 15 ARG HB2 . 11227 1
97 . 1 1 15 15 ARG HB3 H 1 1.653 0.030 . 2 . . . . 15 ARG HB3 . 11227 1
98 . 1 1 15 15 ARG HD2 H 1 3.070 0.030 . 2 . . . . 15 ARG HD2 . 11227 1
99 . 1 1 15 15 ARG HD3 H 1 3.152 0.030 . 2 . . . . 15 ARG HD3 . 11227 1
100 . 1 1 15 15 ARG HG2 H 1 1.430 0.030 . 2 . . . . 15 ARG HG2 . 11227 1
101 . 1 1 15 15 ARG HG3 H 1 1.550 0.030 . 2 . . . . 15 ARG HG3 . 11227 1
102 . 1 1 15 15 ARG C C 13 174.628 0.300 . 1 . . . . 15 ARG C . 11227 1
103 . 1 1 15 15 ARG CA C 13 54.302 0.300 . 1 . . . . 15 ARG CA . 11227 1
104 . 1 1 15 15 ARG CB C 13 32.850 0.300 . 1 . . . . 15 ARG CB . 11227 1
105 . 1 1 15 15 ARG CD C 13 43.323 0.300 . 1 . . . . 15 ARG CD . 11227 1
106 . 1 1 15 15 ARG CG C 13 26.745 0.300 . 1 . . . . 15 ARG CG . 11227 1
107 . 1 1 15 15 ARG N N 15 125.944 0.300 . 1 . . . . 15 ARG N . 11227 1
108 . 1 1 16 16 VAL H H 1 8.663 0.030 . 1 . . . . 16 VAL H . 11227 1
109 . 1 1 16 16 VAL HA H 1 4.709 0.030 . 1 . . . . 16 VAL HA . 11227 1
110 . 1 1 16 16 VAL HB H 1 2.089 0.030 . 1 . . . . 16 VAL HB . 11227 1
111 . 1 1 16 16 VAL HG11 H 1 0.932 0.030 . 1 . . . . 16 VAL HG1 . 11227 1
112 . 1 1 16 16 VAL HG12 H 1 0.932 0.030 . 1 . . . . 16 VAL HG1 . 11227 1
113 . 1 1 16 16 VAL HG13 H 1 0.932 0.030 . 1 . . . . 16 VAL HG1 . 11227 1
114 . 1 1 16 16 VAL HG21 H 1 0.944 0.030 . 1 . . . . 16 VAL HG2 . 11227 1
115 . 1 1 16 16 VAL HG22 H 1 0.944 0.030 . 1 . . . . 16 VAL HG2 . 11227 1
116 . 1 1 16 16 VAL HG23 H 1 0.944 0.030 . 1 . . . . 16 VAL HG2 . 11227 1
117 . 1 1 16 16 VAL C C 13 176.853 0.300 . 1 . . . . 16 VAL C . 11227 1
118 . 1 1 16 16 VAL CA C 13 61.323 0.300 . 1 . . . . 16 VAL CA . 11227 1
119 . 1 1 16 16 VAL CB C 13 32.697 0.300 . 1 . . . . 16 VAL CB . 11227 1
120 . 1 1 16 16 VAL CG1 C 13 22.065 0.300 . 2 . . . . 16 VAL CG1 . 11227 1
121 . 1 1 16 16 VAL CG2 C 13 21.466 0.300 . 2 . . . . 16 VAL CG2 . 11227 1
122 . 1 1 16 16 VAL N N 15 123.764 0.300 . 1 . . . . 16 VAL N . 11227 1
123 . 1 1 17 17 THR H H 1 9.096 0.030 . 1 . . . . 17 THR H . 11227 1
124 . 1 1 17 17 THR HA H 1 4.386 0.030 . 1 . . . . 17 THR HA . 11227 1
125 . 1 1 17 17 THR HB H 1 4.119 0.030 . 1 . . . . 17 THR HB . 11227 1
126 . 1 1 17 17 THR HG21 H 1 1.063 0.030 . 1 . . . . 17 THR HG2 . 11227 1
127 . 1 1 17 17 THR HG22 H 1 1.063 0.030 . 1 . . . . 17 THR HG2 . 11227 1
128 . 1 1 17 17 THR HG23 H 1 1.063 0.030 . 1 . . . . 17 THR HG2 . 11227 1
129 . 1 1 17 17 THR C C 13 174.390 0.300 . 1 . . . . 17 THR C . 11227 1
130 . 1 1 17 17 THR CA C 13 61.706 0.300 . 1 . . . . 17 THR CA . 11227 1
131 . 1 1 17 17 THR CB C 13 69.543 0.300 . 1 . . . . 17 THR CB . 11227 1
132 . 1 1 17 17 THR CG2 C 13 22.246 0.300 . 1 . . . . 17 THR CG2 . 11227 1
133 . 1 1 17 17 THR N N 15 121.390 0.300 . 1 . . . . 17 THR N . 11227 1
134 . 1 1 18 18 ARG H H 1 8.385 0.030 . 1 . . . . 18 ARG H . 11227 1
135 . 1 1 18 18 ARG HA H 1 4.541 0.030 . 1 . . . . 18 ARG HA . 11227 1
136 . 1 1 18 18 ARG HB2 H 1 1.801 0.030 . 2 . . . . 18 ARG HB2 . 11227 1
137 . 1 1 18 18 ARG HB3 H 1 1.858 0.030 . 2 . . . . 18 ARG HB3 . 11227 1
138 . 1 1 18 18 ARG HD2 H 1 3.261 0.030 . 1 . . . . 18 ARG HD2 . 11227 1
139 . 1 1 18 18 ARG HD3 H 1 3.261 0.030 . 1 . . . . 18 ARG HD3 . 11227 1
140 . 1 1 18 18 ARG HG2 H 1 1.548 0.030 . 2 . . . . 18 ARG HG2 . 11227 1
141 . 1 1 18 18 ARG HG3 H 1 1.768 0.030 . 2 . . . . 18 ARG HG3 . 11227 1
142 . 1 1 18 18 ARG CA C 13 57.212 0.300 . 1 . . . . 18 ARG CA . 11227 1
143 . 1 1 18 18 ARG CB C 13 30.427 0.300 . 1 . . . . 18 ARG CB . 11227 1
144 . 1 1 18 18 ARG CD C 13 43.679 0.300 . 1 . . . . 18 ARG CD . 11227 1
145 . 1 1 18 18 ARG CG C 13 27.449 0.300 . 1 . . . . 18 ARG CG . 11227 1
146 . 1 1 19 19 SER H H 1 8.421 0.030 . 1 . . . . 19 SER H . 11227 1
147 . 1 1 19 19 SER HA H 1 4.909 0.030 . 1 . . . . 19 SER HA . 11227 1
148 . 1 1 19 19 SER HB2 H 1 3.987 0.030 . 2 . . . . 19 SER HB2 . 11227 1
149 . 1 1 19 19 SER HB3 H 1 3.874 0.030 . 2 . . . . 19 SER HB3 . 11227 1
150 . 1 1 19 19 SER C C 13 172.965 0.300 . 1 . . . . 19 SER C . 11227 1
151 . 1 1 19 19 SER CA C 13 57.222 0.300 . 1 . . . . 19 SER CA . 11227 1
152 . 1 1 19 19 SER CB C 13 65.355 0.300 . 1 . . . . 19 SER CB . 11227 1
153 . 1 1 20 20 SER H H 1 8.712 0.030 . 1 . . . . 20 SER H . 11227 1
154 . 1 1 20 20 SER HA H 1 5.015 0.030 . 1 . . . . 20 SER HA . 11227 1
155 . 1 1 20 20 SER HB2 H 1 4.323 0.030 . 2 . . . . 20 SER HB2 . 11227 1
156 . 1 1 20 20 SER HB3 H 1 3.892 0.030 . 2 . . . . 20 SER HB3 . 11227 1
157 . 1 1 20 20 SER C C 13 172.929 0.300 . 1 . . . . 20 SER C . 11227 1
158 . 1 1 20 20 SER CA C 13 57.950 0.300 . 1 . . . . 20 SER CA . 11227 1
159 . 1 1 20 20 SER CB C 13 64.159 0.300 . 1 . . . . 20 SER CB . 11227 1
160 . 1 1 20 20 SER N N 15 120.713 0.300 . 1 . . . . 20 SER N . 11227 1
161 . 1 1 21 21 PRO HA H 1 4.826 0.030 . 1 . . . . 21 PRO HA . 11227 1
162 . 1 1 21 21 PRO HB2 H 1 2.374 0.030 . 2 . . . . 21 PRO HB2 . 11227 1
163 . 1 1 21 21 PRO HB3 H 1 1.874 0.030 . 2 . . . . 21 PRO HB3 . 11227 1
164 . 1 1 21 21 PRO HD2 H 1 3.768 0.030 . 2 . . . . 21 PRO HD2 . 11227 1
165 . 1 1 21 21 PRO HD3 H 1 3.984 0.030 . 2 . . . . 21 PRO HD3 . 11227 1
166 . 1 1 21 21 PRO HG2 H 1 1.858 0.030 . 2 . . . . 21 PRO HG2 . 11227 1
167 . 1 1 21 21 PRO HG3 H 1 2.170 0.030 . 2 . . . . 21 PRO HG3 . 11227 1
168 . 1 1 21 21 PRO C C 13 174.865 0.300 . 1 . . . . 21 PRO C . 11227 1
169 . 1 1 21 21 PRO CA C 13 65.420 0.300 . 1 . . . . 21 PRO CA . 11227 1
170 . 1 1 21 21 PRO CB C 13 32.050 0.300 . 1 . . . . 21 PRO CB . 11227 1
171 . 1 1 21 21 PRO CD C 13 50.927 0.300 . 1 . . . . 21 PRO CD . 11227 1
172 . 1 1 21 21 PRO CG C 13 28.441 0.300 . 1 . . . . 21 PRO CG . 11227 1
173 . 1 1 22 22 SER H H 1 7.774 0.030 . 1 . . . . 22 SER H . 11227 1
174 . 1 1 22 22 SER HA H 1 4.659 0.030 . 1 . . . . 22 SER HA . 11227 1
175 . 1 1 22 22 SER HB2 H 1 4.260 0.030 . 2 . . . . 22 SER HB2 . 11227 1
176 . 1 1 22 22 SER HB3 H 1 3.591 0.030 . 2 . . . . 22 SER HB3 . 11227 1
177 . 1 1 22 22 SER C C 13 173.194 0.300 . 1 . . . . 22 SER C . 11227 1
178 . 1 1 22 22 SER CA C 13 56.083 0.300 . 1 . . . . 22 SER CA . 11227 1
179 . 1 1 22 22 SER CB C 13 65.535 0.300 . 1 . . . . 22 SER CB . 11227 1
180 . 1 1 22 22 SER N N 15 104.756 0.300 . 1 . . . . 22 SER N . 11227 1
181 . 1 1 23 23 SER H H 1 7.558 0.030 . 1 . . . . 23 SER H . 11227 1
182 . 1 1 23 23 SER HA H 1 5.339 0.030 . 1 . . . . 23 SER HA . 11227 1
183 . 1 1 23 23 SER HB2 H 1 3.735 0.030 . 2 . . . . 23 SER HB2 . 11227 1
184 . 1 1 23 23 SER HB3 H 1 3.888 0.030 . 2 . . . . 23 SER HB3 . 11227 1
185 . 1 1 23 23 SER C C 13 171.959 0.300 . 1 . . . . 23 SER C . 11227 1
186 . 1 1 23 23 SER CA C 13 57.349 0.300 . 1 . . . . 23 SER CA . 11227 1
187 . 1 1 23 23 SER CB C 13 67.191 0.300 . 1 . . . . 23 SER CB . 11227 1
188 . 1 1 23 23 SER N N 15 115.555 0.300 . 1 . . . . 23 SER N . 11227 1
189 . 1 1 24 24 LEU H H 1 8.262 0.030 . 1 . . . . 24 LEU H . 11227 1
190 . 1 1 24 24 LEU HA H 1 4.854 0.030 . 1 . . . . 24 LEU HA . 11227 1
191 . 1 1 24 24 LEU HB2 H 1 1.316 0.030 . 2 . . . . 24 LEU HB2 . 11227 1
192 . 1 1 24 24 LEU HB3 H 1 1.170 0.030 . 2 . . . . 24 LEU HB3 . 11227 1
193 . 1 1 24 24 LEU HD11 H 1 0.556 0.030 . 1 . . . . 24 LEU HD1 . 11227 1
194 . 1 1 24 24 LEU HD12 H 1 0.556 0.030 . 1 . . . . 24 LEU HD1 . 11227 1
195 . 1 1 24 24 LEU HD13 H 1 0.556 0.030 . 1 . . . . 24 LEU HD1 . 11227 1
196 . 1 1 24 24 LEU HD21 H 1 0.876 0.030 . 1 . . . . 24 LEU HD2 . 11227 1
197 . 1 1 24 24 LEU HD22 H 1 0.876 0.030 . 1 . . . . 24 LEU HD2 . 11227 1
198 . 1 1 24 24 LEU HD23 H 1 0.876 0.030 . 1 . . . . 24 LEU HD2 . 11227 1
199 . 1 1 24 24 LEU HG H 1 1.315 0.030 . 1 . . . . 24 LEU HG . 11227 1
200 . 1 1 24 24 LEU C C 13 175.053 0.300 . 1 . . . . 24 LEU C . 11227 1
201 . 1 1 24 24 LEU CA C 13 53.739 0.300 . 1 . . . . 24 LEU CA . 11227 1
202 . 1 1 24 24 LEU CB C 13 47.447 0.300 . 1 . . . . 24 LEU CB . 11227 1
203 . 1 1 24 24 LEU CD1 C 13 25.713 0.300 . 2 . . . . 24 LEU CD1 . 11227 1
204 . 1 1 24 24 LEU CD2 C 13 23.628 0.300 . 2 . . . . 24 LEU CD2 . 11227 1
205 . 1 1 24 24 LEU CG C 13 26.105 0.300 . 1 . . . . 24 LEU CG . 11227 1
206 . 1 1 24 24 LEU N N 15 118.852 0.300 . 1 . . . . 24 LEU N . 11227 1
207 . 1 1 25 25 SER H H 1 8.959 0.030 . 1 . . . . 25 SER H . 11227 1
208 . 1 1 25 25 SER HA H 1 5.144 0.030 . 1 . . . . 25 SER HA . 11227 1
209 . 1 1 25 25 SER HB2 H 1 3.852 0.030 . 2 . . . . 25 SER HB2 . 11227 1
210 . 1 1 25 25 SER HB3 H 1 3.699 0.030 . 2 . . . . 25 SER HB3 . 11227 1
211 . 1 1 25 25 SER C C 13 173.124 0.300 . 1 . . . . 25 SER C . 11227 1
212 . 1 1 25 25 SER CA C 13 57.543 0.300 . 1 . . . . 25 SER CA . 11227 1
213 . 1 1 25 25 SER CB C 13 63.325 0.300 . 1 . . . . 25 SER CB . 11227 1
214 . 1 1 25 25 SER N N 15 118.341 0.300 . 1 . . . . 25 SER N . 11227 1
215 . 1 1 26 26 LEU H H 1 9.135 0.030 . 1 . . . . 26 LEU H . 11227 1
216 . 1 1 26 26 LEU HA H 1 5.557 0.030 . 1 . . . . 26 LEU HA . 11227 1
217 . 1 1 26 26 LEU HB2 H 1 1.847 0.030 . 2 . . . . 26 LEU HB2 . 11227 1
218 . 1 1 26 26 LEU HB3 H 1 1.613 0.030 . 2 . . . . 26 LEU HB3 . 11227 1
219 . 1 1 26 26 LEU HD11 H 1 0.754 0.030 . 1 . . . . 26 LEU HD1 . 11227 1
220 . 1 1 26 26 LEU HD12 H 1 0.754 0.030 . 1 . . . . 26 LEU HD1 . 11227 1
221 . 1 1 26 26 LEU HD13 H 1 0.754 0.030 . 1 . . . . 26 LEU HD1 . 11227 1
222 . 1 1 26 26 LEU HD21 H 1 0.756 0.030 . 1 . . . . 26 LEU HD2 . 11227 1
223 . 1 1 26 26 LEU HD22 H 1 0.756 0.030 . 1 . . . . 26 LEU HD2 . 11227 1
224 . 1 1 26 26 LEU HD23 H 1 0.756 0.030 . 1 . . . . 26 LEU HD2 . 11227 1
225 . 1 1 26 26 LEU HG H 1 1.620 0.030 . 1 . . . . 26 LEU HG . 11227 1
226 . 1 1 26 26 LEU C C 13 176.669 0.300 . 1 . . . . 26 LEU C . 11227 1
227 . 1 1 26 26 LEU CA C 13 53.198 0.300 . 1 . . . . 26 LEU CA . 11227 1
228 . 1 1 26 26 LEU CB C 13 46.904 0.300 . 1 . . . . 26 LEU CB . 11227 1
229 . 1 1 26 26 LEU CD1 C 13 26.727 0.300 . 2 . . . . 26 LEU CD1 . 11227 1
230 . 1 1 26 26 LEU CD2 C 13 25.464 0.300 . 2 . . . . 26 LEU CD2 . 11227 1
231 . 1 1 26 26 LEU CG C 13 27.894 0.300 . 1 . . . . 26 LEU CG . 11227 1
232 . 1 1 26 26 LEU N N 15 124.391 0.300 . 1 . . . . 26 LEU N . 11227 1
233 . 1 1 27 27 ALA H H 1 8.919 0.030 . 1 . . . . 27 ALA H . 11227 1
234 . 1 1 27 27 ALA HA H 1 4.353 0.030 . 1 . . . . 27 ALA HA . 11227 1
235 . 1 1 27 27 ALA HB1 H 1 1.212 0.030 . 1 . . . . 27 ALA HB . 11227 1
236 . 1 1 27 27 ALA HB2 H 1 1.212 0.030 . 1 . . . . 27 ALA HB . 11227 1
237 . 1 1 27 27 ALA HB3 H 1 1.212 0.030 . 1 . . . . 27 ALA HB . 11227 1
238 . 1 1 27 27 ALA C C 13 174.819 0.300 . 1 . . . . 27 ALA C . 11227 1
239 . 1 1 27 27 ALA CA C 13 51.637 0.300 . 1 . . . . 27 ALA CA . 11227 1
240 . 1 1 27 27 ALA CB C 13 23.183 0.300 . 1 . . . . 27 ALA CB . 11227 1
241 . 1 1 27 27 ALA N N 15 123.718 0.300 . 1 . . . . 27 ALA N . 11227 1
242 . 1 1 28 28 TRP H H 1 6.943 0.030 . 1 . . . . 28 TRP H . 11227 1
243 . 1 1 28 28 TRP HA H 1 5.246 0.030 . 1 . . . . 28 TRP HA . 11227 1
244 . 1 1 28 28 TRP HB2 H 1 3.255 0.030 . 2 . . . . 28 TRP HB2 . 11227 1
245 . 1 1 28 28 TRP HB3 H 1 2.930 0.030 . 2 . . . . 28 TRP HB3 . 11227 1
246 . 1 1 28 28 TRP HD1 H 1 6.886 0.030 . 1 . . . . 28 TRP HD1 . 11227 1
247 . 1 1 28 28 TRP HE1 H 1 5.964 0.030 . 1 . . . . 28 TRP HE1 . 11227 1
248 . 1 1 28 28 TRP HE3 H 1 6.794 0.030 . 1 . . . . 28 TRP HE3 . 11227 1
249 . 1 1 28 28 TRP HH2 H 1 6.523 0.030 . 1 . . . . 28 TRP HH2 . 11227 1
250 . 1 1 28 28 TRP HZ2 H 1 6.767 0.030 . 1 . . . . 28 TRP HZ2 . 11227 1
251 . 1 1 28 28 TRP HZ3 H 1 6.472 0.030 . 1 . . . . 28 TRP HZ3 . 11227 1
252 . 1 1 28 28 TRP C C 13 173.987 0.300 . 1 . . . . 28 TRP C . 11227 1
253 . 1 1 28 28 TRP CA C 13 55.940 0.300 . 1 . . . . 28 TRP CA . 11227 1
254 . 1 1 28 28 TRP CB C 13 30.353 0.300 . 1 . . . . 28 TRP CB . 11227 1
255 . 1 1 28 28 TRP CD1 C 13 127.122 0.300 . 1 . . . . 28 TRP CD1 . 11227 1
256 . 1 1 28 28 TRP CE3 C 13 118.400 0.300 . 1 . . . . 28 TRP CE3 . 11227 1
257 . 1 1 28 28 TRP CH2 C 13 123.591 0.300 . 1 . . . . 28 TRP CH2 . 11227 1
258 . 1 1 28 28 TRP CZ2 C 13 114.639 0.300 . 1 . . . . 28 TRP CZ2 . 11227 1
259 . 1 1 28 28 TRP CZ3 C 13 120.456 0.300 . 1 . . . . 28 TRP CZ3 . 11227 1
260 . 1 1 28 28 TRP N N 15 114.480 0.300 . 1 . . . . 28 TRP N . 11227 1
261 . 1 1 28 28 TRP NE1 N 15 124.526 0.300 . 1 . . . . 28 TRP NE1 . 11227 1
262 . 1 1 29 29 ALA H H 1 8.056 0.030 . 1 . . . . 29 ALA H . 11227 1
263 . 1 1 29 29 ALA HA H 1 4.552 0.030 . 1 . . . . 29 ALA HA . 11227 1
264 . 1 1 29 29 ALA HB1 H 1 1.464 0.030 . 1 . . . . 29 ALA HB . 11227 1
265 . 1 1 29 29 ALA HB2 H 1 1.464 0.030 . 1 . . . . 29 ALA HB . 11227 1
266 . 1 1 29 29 ALA HB3 H 1 1.464 0.030 . 1 . . . . 29 ALA HB . 11227 1
267 . 1 1 29 29 ALA C C 13 178.357 0.300 . 1 . . . . 29 ALA C . 11227 1
268 . 1 1 29 29 ALA CA C 13 51.389 0.300 . 1 . . . . 29 ALA CA . 11227 1
269 . 1 1 29 29 ALA CB C 13 19.784 0.300 . 1 . . . . 29 ALA CB . 11227 1
270 . 1 1 29 29 ALA N N 15 121.512 0.300 . 1 . . . . 29 ALA N . 11227 1
271 . 1 1 30 30 VAL H H 1 8.612 0.030 . 1 . . . . 30 VAL H . 11227 1
272 . 1 1 30 30 VAL HA H 1 4.444 0.030 . 1 . . . . 30 VAL HA . 11227 1
273 . 1 1 30 30 VAL HB H 1 2.060 0.030 . 1 . . . . 30 VAL HB . 11227 1
274 . 1 1 30 30 VAL HG11 H 1 1.085 0.030 . 1 . . . . 30 VAL HG1 . 11227 1
275 . 1 1 30 30 VAL HG12 H 1 1.085 0.030 . 1 . . . . 30 VAL HG1 . 11227 1
276 . 1 1 30 30 VAL HG13 H 1 1.085 0.030 . 1 . . . . 30 VAL HG1 . 11227 1
277 . 1 1 30 30 VAL HG21 H 1 1.133 0.030 . 1 . . . . 30 VAL HG2 . 11227 1
278 . 1 1 30 30 VAL HG22 H 1 1.133 0.030 . 1 . . . . 30 VAL HG2 . 11227 1
279 . 1 1 30 30 VAL HG23 H 1 1.133 0.030 . 1 . . . . 30 VAL HG2 . 11227 1
280 . 1 1 30 30 VAL C C 13 175.715 0.300 . 1 . . . . 30 VAL C . 11227 1
281 . 1 1 30 30 VAL CA C 13 60.777 0.300 . 1 . . . . 30 VAL CA . 11227 1
282 . 1 1 30 30 VAL CB C 13 32.572 0.300 . 1 . . . . 30 VAL CB . 11227 1
283 . 1 1 30 30 VAL CG1 C 13 21.060 0.300 . 2 . . . . 30 VAL CG1 . 11227 1
284 . 1 1 30 30 VAL CG2 C 13 20.129 0.300 . 2 . . . . 30 VAL CG2 . 11227 1
285 . 1 1 30 30 VAL N N 15 124.007 0.300 . 1 . . . . 30 VAL N . 11227 1
286 . 1 1 31 31 PRO HA H 1 4.621 0.030 . 1 . . . . 31 PRO HA . 11227 1
287 . 1 1 31 31 PRO HB2 H 1 2.383 0.030 . 2 . . . . 31 PRO HB2 . 11227 1
288 . 1 1 31 31 PRO HB3 H 1 1.727 0.030 . 2 . . . . 31 PRO HB3 . 11227 1
289 . 1 1 31 31 PRO HD2 H 1 4.229 0.030 . 2 . . . . 31 PRO HD2 . 11227 1
290 . 1 1 31 31 PRO HD3 H 1 4.549 0.030 . 2 . . . . 31 PRO HD3 . 11227 1
291 . 1 1 31 31 PRO HG2 H 1 1.980 0.030 . 2 . . . . 31 PRO HG2 . 11227 1
292 . 1 1 31 31 PRO HG3 H 1 2.090 0.030 . 2 . . . . 31 PRO HG3 . 11227 1
293 . 1 1 31 31 PRO C C 13 175.447 0.300 . 1 . . . . 31 PRO C . 11227 1
294 . 1 1 31 31 PRO CA C 13 62.427 0.300 . 1 . . . . 31 PRO CA . 11227 1
295 . 1 1 31 31 PRO CB C 13 32.456 0.300 . 1 . . . . 31 PRO CB . 11227 1
296 . 1 1 31 31 PRO CD C 13 51.113 0.300 . 1 . . . . 31 PRO CD . 11227 1
297 . 1 1 31 31 PRO CG C 13 27.130 0.300 . 1 . . . . 31 PRO CG . 11227 1
298 . 1 1 32 32 ARG H H 1 8.506 0.030 . 1 . . . . 32 ARG H . 11227 1
299 . 1 1 32 32 ARG HA H 1 4.305 0.030 . 1 . . . . 32 ARG HA . 11227 1
300 . 1 1 32 32 ARG HB2 H 1 1.797 0.030 . 2 . . . . 32 ARG HB2 . 11227 1
301 . 1 1 32 32 ARG HB3 H 1 1.759 0.030 . 2 . . . . 32 ARG HB3 . 11227 1
302 . 1 1 32 32 ARG HD2 H 1 3.221 0.030 . 1 . . . . 32 ARG HD2 . 11227 1
303 . 1 1 32 32 ARG HD3 H 1 3.221 0.030 . 1 . . . . 32 ARG HD3 . 11227 1
304 . 1 1 32 32 ARG HG2 H 1 1.694 0.030 . 2 . . . . 32 ARG HG2 . 11227 1
305 . 1 1 32 32 ARG HG3 H 1 1.570 0.030 . 2 . . . . 32 ARG HG3 . 11227 1
306 . 1 1 32 32 ARG C C 13 175.157 0.300 . 1 . . . . 32 ARG C . 11227 1
307 . 1 1 32 32 ARG CA C 13 55.687 0.300 . 1 . . . . 32 ARG CA . 11227 1
308 . 1 1 32 32 ARG CB C 13 29.948 0.300 . 1 . . . . 32 ARG CB . 11227 1
309 . 1 1 32 32 ARG CD C 13 43.311 0.300 . 1 . . . . 32 ARG CD . 11227 1
310 . 1 1 32 32 ARG CG C 13 27.180 0.300 . 1 . . . . 32 ARG CG . 11227 1
311 . 1 1 32 32 ARG N N 15 121.654 0.300 . 1 . . . . 32 ARG N . 11227 1
312 . 1 1 33 33 ALA H H 1 8.315 0.030 . 1 . . . . 33 ALA H . 11227 1
313 . 1 1 33 33 ALA HA H 1 4.645 0.030 . 1 . . . . 33 ALA HA . 11227 1
314 . 1 1 33 33 ALA HB1 H 1 1.313 0.030 . 1 . . . . 33 ALA HB . 11227 1
315 . 1 1 33 33 ALA HB2 H 1 1.313 0.030 . 1 . . . . 33 ALA HB . 11227 1
316 . 1 1 33 33 ALA HB3 H 1 1.313 0.030 . 1 . . . . 33 ALA HB . 11227 1
317 . 1 1 33 33 ALA C C 13 175.545 0.300 . 1 . . . . 33 ALA C . 11227 1
318 . 1 1 33 33 ALA CA C 13 49.956 0.300 . 1 . . . . 33 ALA CA . 11227 1
319 . 1 1 33 33 ALA CB C 13 18.973 0.300 . 1 . . . . 33 ALA CB . 11227 1
320 . 1 1 33 33 ALA N N 15 127.974 0.300 . 1 . . . . 33 ALA N . 11227 1
321 . 1 1 34 34 PRO HA H 1 4.358 0.030 . 1 . . . . 34 PRO HA . 11227 1
322 . 1 1 34 34 PRO HB2 H 1 2.326 0.030 . 2 . . . . 34 PRO HB2 . 11227 1
323 . 1 1 34 34 PRO HB3 H 1 1.973 0.030 . 2 . . . . 34 PRO HB3 . 11227 1
324 . 1 1 34 34 PRO HD2 H 1 3.696 0.030 . 1 . . . . 34 PRO HD2 . 11227 1
325 . 1 1 34 34 PRO HD3 H 1 3.696 0.030 . 1 . . . . 34 PRO HD3 . 11227 1
326 . 1 1 34 34 PRO HG2 H 1 2.052 0.030 . 2 . . . . 34 PRO HG2 . 11227 1
327 . 1 1 34 34 PRO HG3 H 1 2.001 0.030 . 2 . . . . 34 PRO HG3 . 11227 1
328 . 1 1 34 34 PRO CA C 13 64.344 0.300 . 1 . . . . 34 PRO CA . 11227 1
329 . 1 1 34 34 PRO CB C 13 31.833 0.300 . 1 . . . . 34 PRO CB . 11227 1
330 . 1 1 34 34 PRO CD C 13 50.652 0.300 . 1 . . . . 34 PRO CD . 11227 1
331 . 1 1 34 34 PRO CG C 13 27.511 0.300 . 1 . . . . 34 PRO CG . 11227 1
332 . 1 1 35 35 SER H H 1 7.822 0.030 . 1 . . . . 35 SER H . 11227 1
333 . 1 1 35 35 SER HA H 1 4.399 0.030 . 1 . . . . 35 SER HA . 11227 1
334 . 1 1 35 35 SER HB2 H 1 3.840 0.030 . 2 . . . . 35 SER HB2 . 11227 1
335 . 1 1 35 35 SER HB3 H 1 3.893 0.030 . 2 . . . . 35 SER HB3 . 11227 1
336 . 1 1 35 35 SER C C 13 174.619 0.300 . 1 . . . . 35 SER C . 11227 1
337 . 1 1 35 35 SER CA C 13 58.339 0.300 . 1 . . . . 35 SER CA . 11227 1
338 . 1 1 35 35 SER CB C 13 63.587 0.300 . 1 . . . . 35 SER CB . 11227 1
339 . 1 1 35 35 SER N N 15 111.483 0.300 . 1 . . . . 35 SER N . 11227 1
340 . 1 1 36 36 GLY H H 1 8.172 0.030 . 1 . . . . 36 GLY H . 11227 1
341 . 1 1 36 36 GLY HA2 H 1 4.205 0.030 . 2 . . . . 36 GLY HA2 . 11227 1
342 . 1 1 36 36 GLY HA3 H 1 3.797 0.030 . 2 . . . . 36 GLY HA3 . 11227 1
343 . 1 1 36 36 GLY C C 13 172.753 0.300 . 1 . . . . 36 GLY C . 11227 1
344 . 1 1 36 36 GLY CA C 13 45.310 0.300 . 1 . . . . 36 GLY CA . 11227 1
345 . 1 1 36 36 GLY N N 15 111.493 0.300 . 1 . . . . 36 GLY N . 11227 1
346 . 1 1 37 37 ALA H H 1 8.282 0.030 . 1 . . . . 37 ALA H . 11227 1
347 . 1 1 37 37 ALA HA H 1 4.367 0.030 . 1 . . . . 37 ALA HA . 11227 1
348 . 1 1 37 37 ALA HB1 H 1 1.326 0.030 . 1 . . . . 37 ALA HB . 11227 1
349 . 1 1 37 37 ALA HB2 H 1 1.326 0.030 . 1 . . . . 37 ALA HB . 11227 1
350 . 1 1 37 37 ALA HB3 H 1 1.326 0.030 . 1 . . . . 37 ALA HB . 11227 1
351 . 1 1 37 37 ALA C C 13 177.494 0.300 . 1 . . . . 37 ALA C . 11227 1
352 . 1 1 37 37 ALA CA C 13 52.037 0.300 . 1 . . . . 37 ALA CA . 11227 1
353 . 1 1 37 37 ALA CB C 13 20.295 0.300 . 1 . . . . 37 ALA CB . 11227 1
354 . 1 1 37 37 ALA N N 15 123.477 0.300 . 1 . . . . 37 ALA N . 11227 1
355 . 1 1 38 38 VAL H H 1 8.325 0.030 . 1 . . . . 38 VAL H . 11227 1
356 . 1 1 38 38 VAL HA H 1 3.620 0.030 . 1 . . . . 38 VAL HA . 11227 1
357 . 1 1 38 38 VAL HB H 1 1.931 0.030 . 1 . . . . 38 VAL HB . 11227 1
358 . 1 1 38 38 VAL HG11 H 1 0.589 0.030 . 1 . . . . 38 VAL HG1 . 11227 1
359 . 1 1 38 38 VAL HG12 H 1 0.589 0.030 . 1 . . . . 38 VAL HG1 . 11227 1
360 . 1 1 38 38 VAL HG13 H 1 0.589 0.030 . 1 . . . . 38 VAL HG1 . 11227 1
361 . 1 1 38 38 VAL HG21 H 1 0.880 0.030 . 1 . . . . 38 VAL HG2 . 11227 1
362 . 1 1 38 38 VAL HG22 H 1 0.880 0.030 . 1 . . . . 38 VAL HG2 . 11227 1
363 . 1 1 38 38 VAL HG23 H 1 0.880 0.030 . 1 . . . . 38 VAL HG2 . 11227 1
364 . 1 1 38 38 VAL C C 13 176.019 0.300 . 1 . . . . 38 VAL C . 11227 1
365 . 1 1 38 38 VAL CA C 13 63.581 0.300 . 1 . . . . 38 VAL CA . 11227 1
366 . 1 1 38 38 VAL CB C 13 31.930 0.300 . 1 . . . . 38 VAL CB . 11227 1
367 . 1 1 38 38 VAL CG1 C 13 22.293 0.300 . 2 . . . . 38 VAL CG1 . 11227 1
368 . 1 1 38 38 VAL CG2 C 13 22.533 0.300 . 2 . . . . 38 VAL CG2 . 11227 1
369 . 1 1 38 38 VAL N N 15 119.451 0.300 . 1 . . . . 38 VAL N . 11227 1
370 . 1 1 39 39 LEU H H 1 9.079 0.030 . 1 . . . . 39 LEU H . 11227 1
371 . 1 1 39 39 LEU HA H 1 4.292 0.030 . 1 . . . . 39 LEU HA . 11227 1
372 . 1 1 39 39 LEU HB2 H 1 1.295 0.030 . 1 . . . . 39 LEU HB2 . 11227 1
373 . 1 1 39 39 LEU HB3 H 1 1.295 0.030 . 1 . . . . 39 LEU HB3 . 11227 1
374 . 1 1 39 39 LEU HD11 H 1 0.654 0.030 . 1 . . . . 39 LEU HD1 . 11227 1
375 . 1 1 39 39 LEU HD12 H 1 0.654 0.030 . 1 . . . . 39 LEU HD1 . 11227 1
376 . 1 1 39 39 LEU HD13 H 1 0.654 0.030 . 1 . . . . 39 LEU HD1 . 11227 1
377 . 1 1 39 39 LEU HD21 H 1 0.751 0.030 . 1 . . . . 39 LEU HD2 . 11227 1
378 . 1 1 39 39 LEU HD22 H 1 0.751 0.030 . 1 . . . . 39 LEU HD2 . 11227 1
379 . 1 1 39 39 LEU HD23 H 1 0.751 0.030 . 1 . . . . 39 LEU HD2 . 11227 1
380 . 1 1 39 39 LEU HG H 1 1.579 0.030 . 1 . . . . 39 LEU HG . 11227 1
381 . 1 1 39 39 LEU C C 13 176.940 0.300 . 1 . . . . 39 LEU C . 11227 1
382 . 1 1 39 39 LEU CA C 13 56.181 0.300 . 1 . . . . 39 LEU CA . 11227 1
383 . 1 1 39 39 LEU CB C 13 43.136 0.300 . 1 . . . . 39 LEU CB . 11227 1
384 . 1 1 39 39 LEU CD1 C 13 25.318 0.300 . 2 . . . . 39 LEU CD1 . 11227 1
385 . 1 1 39 39 LEU CD2 C 13 22.193 0.300 . 2 . . . . 39 LEU CD2 . 11227 1
386 . 1 1 39 39 LEU CG C 13 27.160 0.300 . 1 . . . . 39 LEU CG . 11227 1
387 . 1 1 39 39 LEU N N 15 128.448 0.300 . 1 . . . . 39 LEU N . 11227 1
388 . 1 1 40 40 ASP H H 1 7.488 0.030 . 1 . . . . 40 ASP H . 11227 1
389 . 1 1 40 40 ASP HA H 1 4.313 0.030 . 1 . . . . 40 ASP HA . 11227 1
390 . 1 1 40 40 ASP HB2 H 1 3.216 0.030 . 2 . . . . 40 ASP HB2 . 11227 1
391 . 1 1 40 40 ASP HB3 H 1 2.920 0.030 . 2 . . . . 40 ASP HB3 . 11227 1
392 . 1 1 40 40 ASP C C 13 171.808 0.300 . 1 . . . . 40 ASP C . 11227 1
393 . 1 1 40 40 ASP CA C 13 53.200 0.300 . 1 . . . . 40 ASP CA . 11227 1
394 . 1 1 40 40 ASP CB C 13 41.739 0.300 . 1 . . . . 40 ASP CB . 11227 1
395 . 1 1 40 40 ASP N N 15 113.349 0.300 . 1 . . . . 40 ASP N . 11227 1
396 . 1 1 41 41 TYR H H 1 9.063 0.030 . 1 . . . . 41 TYR H . 11227 1
397 . 1 1 41 41 TYR HA H 1 5.604 0.030 . 1 . . . . 41 TYR HA . 11227 1
398 . 1 1 41 41 TYR HB2 H 1 3.147 0.030 . 2 . . . . 41 TYR HB2 . 11227 1
399 . 1 1 41 41 TYR HB3 H 1 2.980 0.030 . 2 . . . . 41 TYR HB3 . 11227 1
400 . 1 1 41 41 TYR HD1 H 1 6.898 0.030 . 3 . . . . 41 TYR HD1 . 11227 1
401 . 1 1 41 41 TYR HD2 H 1 7.263 0.030 . 3 . . . . 41 TYR HD2 . 11227 1
402 . 1 1 41 41 TYR HE1 H 1 6.682 0.030 . 1 . . . . 41 TYR HE1 . 11227 1
403 . 1 1 41 41 TYR HE2 H 1 6.682 0.030 . 1 . . . . 41 TYR HE2 . 11227 1
404 . 1 1 41 41 TYR C C 13 176.563 0.300 . 1 . . . . 41 TYR C . 11227 1
405 . 1 1 41 41 TYR CA C 13 56.519 0.300 . 1 . . . . 41 TYR CA . 11227 1
406 . 1 1 41 41 TYR CB C 13 42.799 0.300 . 1 . . . . 41 TYR CB . 11227 1
407 . 1 1 41 41 TYR CD1 C 13 131.048 0.300 . 3 . . . . 41 TYR CD1 . 11227 1
408 . 1 1 41 41 TYR CD2 C 13 131.632 0.300 . 3 . . . . 41 TYR CD2 . 11227 1
409 . 1 1 41 41 TYR CE1 C 13 117.350 0.300 . 1 . . . . 41 TYR CE1 . 11227 1
410 . 1 1 41 41 TYR CE2 C 13 117.350 0.300 . 1 . . . . 41 TYR CE2 . 11227 1
411 . 1 1 41 41 TYR N N 15 111.140 0.300 . 1 . . . . 41 TYR N . 11227 1
412 . 1 1 42 42 GLU H H 1 9.491 0.030 . 1 . . . . 42 GLU H . 11227 1
413 . 1 1 42 42 GLU HA H 1 5.368 0.030 . 1 . . . . 42 GLU HA . 11227 1
414 . 1 1 42 42 GLU HB2 H 1 2.062 0.030 . 2 . . . . 42 GLU HB2 . 11227 1
415 . 1 1 42 42 GLU HB3 H 1 1.894 0.030 . 2 . . . . 42 GLU HB3 . 11227 1
416 . 1 1 42 42 GLU HG2 H 1 2.248 0.030 . 1 . . . . 42 GLU HG2 . 11227 1
417 . 1 1 42 42 GLU HG3 H 1 2.248 0.030 . 1 . . . . 42 GLU HG3 . 11227 1
418 . 1 1 42 42 GLU C C 13 173.644 0.300 . 1 . . . . 42 GLU C . 11227 1
419 . 1 1 42 42 GLU CA C 13 55.613 0.300 . 1 . . . . 42 GLU CA . 11227 1
420 . 1 1 42 42 GLU CB C 13 34.737 0.300 . 1 . . . . 42 GLU CB . 11227 1
421 . 1 1 42 42 GLU CG C 13 38.581 0.300 . 1 . . . . 42 GLU CG . 11227 1
422 . 1 1 42 42 GLU N N 15 123.650 0.300 . 1 . . . . 42 GLU N . 11227 1
423 . 1 1 43 43 VAL H H 1 9.698 0.030 . 1 . . . . 43 VAL H . 11227 1
424 . 1 1 43 43 VAL HA H 1 4.715 0.030 . 1 . . . . 43 VAL HA . 11227 1
425 . 1 1 43 43 VAL HB H 1 2.230 0.030 . 1 . . . . 43 VAL HB . 11227 1
426 . 1 1 43 43 VAL HG11 H 1 0.816 0.030 . 1 . . . . 43 VAL HG1 . 11227 1
427 . 1 1 43 43 VAL HG12 H 1 0.816 0.030 . 1 . . . . 43 VAL HG1 . 11227 1
428 . 1 1 43 43 VAL HG13 H 1 0.816 0.030 . 1 . . . . 43 VAL HG1 . 11227 1
429 . 1 1 43 43 VAL HG21 H 1 0.817 0.030 . 1 . . . . 43 VAL HG2 . 11227 1
430 . 1 1 43 43 VAL HG22 H 1 0.817 0.030 . 1 . . . . 43 VAL HG2 . 11227 1
431 . 1 1 43 43 VAL HG23 H 1 0.817 0.030 . 1 . . . . 43 VAL HG2 . 11227 1
432 . 1 1 43 43 VAL C C 13 174.469 0.300 . 1 . . . . 43 VAL C . 11227 1
433 . 1 1 43 43 VAL CA C 13 60.775 0.300 . 1 . . . . 43 VAL CA . 11227 1
434 . 1 1 43 43 VAL CB C 13 33.466 0.300 . 1 . . . . 43 VAL CB . 11227 1
435 . 1 1 43 43 VAL CG1 C 13 21.797 0.300 . 2 . . . . 43 VAL CG1 . 11227 1
436 . 1 1 43 43 VAL CG2 C 13 21.821 0.300 . 2 . . . . 43 VAL CG2 . 11227 1
437 . 1 1 43 43 VAL N N 15 127.945 0.300 . 1 . . . . 43 VAL N . 11227 1
438 . 1 1 44 44 LYS H H 1 9.398 0.030 . 1 . . . . 44 LYS H . 11227 1
439 . 1 1 44 44 LYS HA H 1 5.108 0.030 . 1 . . . . 44 LYS HA . 11227 1
440 . 1 1 44 44 LYS HB2 H 1 1.322 0.030 . 2 . . . . 44 LYS HB2 . 11227 1
441 . 1 1 44 44 LYS HB3 H 1 1.185 0.030 . 2 . . . . 44 LYS HB3 . 11227 1
442 . 1 1 44 44 LYS HD2 H 1 0.966 0.030 . 2 . . . . 44 LYS HD2 . 11227 1
443 . 1 1 44 44 LYS HD3 H 1 1.199 0.030 . 2 . . . . 44 LYS HD3 . 11227 1
444 . 1 1 44 44 LYS HE2 H 1 2.103 0.030 . 2 . . . . 44 LYS HE2 . 11227 1
445 . 1 1 44 44 LYS HE3 H 1 2.272 0.030 . 2 . . . . 44 LYS HE3 . 11227 1
446 . 1 1 44 44 LYS HG2 H 1 0.613 0.030 . 2 . . . . 44 LYS HG2 . 11227 1
447 . 1 1 44 44 LYS HG3 H 1 0.763 0.030 . 2 . . . . 44 LYS HG3 . 11227 1
448 . 1 1 44 44 LYS C C 13 174.981 0.300 . 1 . . . . 44 LYS C . 11227 1
449 . 1 1 44 44 LYS CA C 13 54.075 0.300 . 1 . . . . 44 LYS CA . 11227 1
450 . 1 1 44 44 LYS CB C 13 36.569 0.300 . 1 . . . . 44 LYS CB . 11227 1
451 . 1 1 44 44 LYS CD C 13 29.215 0.300 . 1 . . . . 44 LYS CD . 11227 1
452 . 1 1 44 44 LYS CE C 13 41.310 0.300 . 1 . . . . 44 LYS CE . 11227 1
453 . 1 1 44 44 LYS CG C 13 24.049 0.300 . 1 . . . . 44 LYS CG . 11227 1
454 . 1 1 44 44 LYS N N 15 129.003 0.300 . 1 . . . . 44 LYS N . 11227 1
455 . 1 1 45 45 TYR H H 1 8.999 0.030 . 1 . . . . 45 TYR H . 11227 1
456 . 1 1 45 45 TYR HA H 1 5.963 0.030 . 1 . . . . 45 TYR HA . 11227 1
457 . 1 1 45 45 TYR HB2 H 1 2.885 0.030 . 2 . . . . 45 TYR HB2 . 11227 1
458 . 1 1 45 45 TYR HB3 H 1 2.578 0.030 . 2 . . . . 45 TYR HB3 . 11227 1
459 . 1 1 45 45 TYR HD1 H 1 6.636 0.030 . 1 . . . . 45 TYR HD1 . 11227 1
460 . 1 1 45 45 TYR HD2 H 1 6.636 0.030 . 1 . . . . 45 TYR HD2 . 11227 1
461 . 1 1 45 45 TYR HE1 H 1 6.403 0.030 . 1 . . . . 45 TYR HE1 . 11227 1
462 . 1 1 45 45 TYR HE2 H 1 6.403 0.030 . 1 . . . . 45 TYR HE2 . 11227 1
463 . 1 1 45 45 TYR C C 13 173.288 0.300 . 1 . . . . 45 TYR C . 11227 1
464 . 1 1 45 45 TYR CA C 13 55.190 0.300 . 1 . . . . 45 TYR CA . 11227 1
465 . 1 1 45 45 TYR CB C 13 42.055 0.300 . 1 . . . . 45 TYR CB . 11227 1
466 . 1 1 45 45 TYR CD1 C 13 133.271 0.300 . 1 . . . . 45 TYR CD1 . 11227 1
467 . 1 1 45 45 TYR CD2 C 13 133.271 0.300 . 1 . . . . 45 TYR CD2 . 11227 1
468 . 1 1 45 45 TYR CE1 C 13 117.907 0.300 . 1 . . . . 45 TYR CE1 . 11227 1
469 . 1 1 45 45 TYR CE2 C 13 117.907 0.300 . 1 . . . . 45 TYR CE2 . 11227 1
470 . 1 1 45 45 TYR N N 15 121.959 0.300 . 1 . . . . 45 TYR N . 11227 1
471 . 1 1 46 46 HIS H H 1 8.290 0.030 . 1 . . . . 46 HIS H . 11227 1
472 . 1 1 46 46 HIS HA H 1 5.007 0.030 . 1 . . . . 46 HIS HA . 11227 1
473 . 1 1 46 46 HIS HB2 H 1 3.200 0.030 . 2 . . . . 46 HIS HB2 . 11227 1
474 . 1 1 46 46 HIS HB3 H 1 3.027 0.030 . 2 . . . . 46 HIS HB3 . 11227 1
475 . 1 1 46 46 HIS HD2 H 1 6.674 0.030 . 1 . . . . 46 HIS HD2 . 11227 1
476 . 1 1 46 46 HIS HE1 H 1 8.168 0.030 . 1 . . . . 46 HIS HE1 . 11227 1
477 . 1 1 46 46 HIS C C 13 172.783 0.300 . 1 . . . . 46 HIS C . 11227 1
478 . 1 1 46 46 HIS CA C 13 54.073 0.300 . 1 . . . . 46 HIS CA . 11227 1
479 . 1 1 46 46 HIS CB C 13 32.604 0.300 . 1 . . . . 46 HIS CB . 11227 1
480 . 1 1 46 46 HIS CD2 C 13 117.783 0.300 . 1 . . . . 46 HIS CD2 . 11227 1
481 . 1 1 46 46 HIS CE1 C 13 137.492 0.300 . 1 . . . . 46 HIS CE1 . 11227 1
482 . 1 1 46 46 HIS N N 15 113.903 0.300 . 1 . . . . 46 HIS N . 11227 1
483 . 1 1 47 47 GLU H H 1 9.258 0.030 . 1 . . . . 47 GLU H . 11227 1
484 . 1 1 47 47 GLU HA H 1 3.687 0.030 . 1 . . . . 47 GLU HA . 11227 1
485 . 1 1 47 47 GLU HB2 H 1 1.824 0.030 . 2 . . . . 47 GLU HB2 . 11227 1
486 . 1 1 47 47 GLU HB3 H 1 1.719 0.030 . 2 . . . . 47 GLU HB3 . 11227 1
487 . 1 1 47 47 GLU HG2 H 1 1.970 0.030 . 2 . . . . 47 GLU HG2 . 11227 1
488 . 1 1 47 47 GLU HG3 H 1 1.906 0.030 . 2 . . . . 47 GLU HG3 . 11227 1
489 . 1 1 47 47 GLU C C 13 176.665 0.300 . 1 . . . . 47 GLU C . 11227 1
490 . 1 1 47 47 GLU CA C 13 55.972 0.300 . 1 . . . . 47 GLU CA . 11227 1
491 . 1 1 47 47 GLU CB C 13 30.081 0.300 . 1 . . . . 47 GLU CB . 11227 1
492 . 1 1 47 47 GLU CG C 13 35.769 0.300 . 1 . . . . 47 GLU CG . 11227 1
493 . 1 1 47 47 GLU N N 15 125.042 0.300 . 1 . . . . 47 GLU N . 11227 1
494 . 1 1 48 48 LYS H H 1 8.483 0.030 . 1 . . . . 48 LYS H . 11227 1
495 . 1 1 48 48 LYS HA H 1 3.852 0.030 . 1 . . . . 48 LYS HA . 11227 1
496 . 1 1 48 48 LYS HB2 H 1 1.678 0.030 . 2 . . . . 48 LYS HB2 . 11227 1
497 . 1 1 48 48 LYS HB3 H 1 1.261 0.030 . 2 . . . . 48 LYS HB3 . 11227 1
498 . 1 1 48 48 LYS HD2 H 1 1.550 0.030 . 1 . . . . 48 LYS HD2 . 11227 1
499 . 1 1 48 48 LYS HD3 H 1 1.550 0.030 . 1 . . . . 48 LYS HD3 . 11227 1
500 . 1 1 48 48 LYS HE2 H 1 2.875 0.030 . 1 . . . . 48 LYS HE2 . 11227 1
501 . 1 1 48 48 LYS HE3 H 1 2.875 0.030 . 1 . . . . 48 LYS HE3 . 11227 1
502 . 1 1 48 48 LYS HG2 H 1 1.270 0.030 . 1 . . . . 48 LYS HG2 . 11227 1
503 . 1 1 48 48 LYS HG3 H 1 1.270 0.030 . 1 . . . . 48 LYS HG3 . 11227 1
504 . 1 1 48 48 LYS C C 13 177.076 0.300 . 1 . . . . 48 LYS C . 11227 1
505 . 1 1 48 48 LYS CA C 13 58.238 0.300 . 1 . . . . 48 LYS CA . 11227 1
506 . 1 1 48 48 LYS CB C 13 32.589 0.300 . 1 . . . . 48 LYS CB . 11227 1
507 . 1 1 48 48 LYS CD C 13 29.568 0.300 . 1 . . . . 48 LYS CD . 11227 1
508 . 1 1 48 48 LYS CE C 13 41.901 0.300 . 1 . . . . 48 LYS CE . 11227 1
509 . 1 1 48 48 LYS CG C 13 25.000 0.300 . 1 . . . . 48 LYS CG . 11227 1
510 . 1 1 48 48 LYS N N 15 128.922 0.300 . 1 . . . . 48 LYS N . 11227 1
511 . 1 1 49 49 GLY H H 1 9.076 0.030 . 1 . . . . 49 GLY H . 11227 1
512 . 1 1 49 49 GLY HA2 H 1 4.193 0.030 . 2 . . . . 49 GLY HA2 . 11227 1
513 . 1 1 49 49 GLY HA3 H 1 3.730 0.030 . 2 . . . . 49 GLY HA3 . 11227 1
514 . 1 1 49 49 GLY C C 13 173.612 0.300 . 1 . . . . 49 GLY C . 11227 1
515 . 1 1 49 49 GLY CA C 13 45.105 0.300 . 1 . . . . 49 GLY CA . 11227 1
516 . 1 1 49 49 GLY N N 15 115.713 0.300 . 1 . . . . 49 GLY N . 11227 1
517 . 1 1 50 50 ALA H H 1 7.913 0.030 . 1 . . . . 50 ALA H . 11227 1
518 . 1 1 50 50 ALA HA H 1 4.446 0.030 . 1 . . . . 50 ALA HA . 11227 1
519 . 1 1 50 50 ALA HB1 H 1 1.402 0.030 . 1 . . . . 50 ALA HB . 11227 1
520 . 1 1 50 50 ALA HB2 H 1 1.402 0.030 . 1 . . . . 50 ALA HB . 11227 1
521 . 1 1 50 50 ALA HB3 H 1 1.402 0.030 . 1 . . . . 50 ALA HB . 11227 1
522 . 1 1 50 50 ALA C C 13 177.024 0.300 . 1 . . . . 50 ALA C . 11227 1
523 . 1 1 50 50 ALA CA C 13 52.057 0.300 . 1 . . . . 50 ALA CA . 11227 1
524 . 1 1 50 50 ALA CB C 13 19.537 0.300 . 1 . . . . 50 ALA CB . 11227 1
525 . 1 1 50 50 ALA N N 15 124.262 0.300 . 1 . . . . 50 ALA N . 11227 1
526 . 1 1 51 51 GLU H H 1 8.456 0.030 . 1 . . . . 51 GLU H . 11227 1
527 . 1 1 51 51 GLU HA H 1 4.349 0.030 . 1 . . . . 51 GLU HA . 11227 1
528 . 1 1 51 51 GLU HB2 H 1 2.009 0.030 . 2 . . . . 51 GLU HB2 . 11227 1
529 . 1 1 51 51 GLU HB3 H 1 1.786 0.030 . 2 . . . . 51 GLU HB3 . 11227 1
530 . 1 1 51 51 GLU HG2 H 1 2.139 0.030 . 2 . . . . 51 GLU HG2 . 11227 1
531 . 1 1 51 51 GLU HG3 H 1 2.088 0.030 . 2 . . . . 51 GLU HG3 . 11227 1
532 . 1 1 51 51 GLU C C 13 176.710 0.300 . 1 . . . . 51 GLU C . 11227 1
533 . 1 1 51 51 GLU CA C 13 55.613 0.300 . 1 . . . . 51 GLU CA . 11227 1
534 . 1 1 51 51 GLU CB C 13 31.708 0.300 . 1 . . . . 51 GLU CB . 11227 1
535 . 1 1 51 51 GLU CG C 13 35.973 0.300 . 1 . . . . 51 GLU CG . 11227 1
536 . 1 1 51 51 GLU N N 15 120.048 0.300 . 1 . . . . 51 GLU N . 11227 1
537 . 1 1 52 52 GLY H H 1 8.294 0.030 . 1 . . . . 52 GLY H . 11227 1
538 . 1 1 52 52 GLY HA2 H 1 4.036 0.030 . 2 . . . . 52 GLY HA2 . 11227 1
539 . 1 1 52 52 GLY HA3 H 1 4.284 0.030 . 2 . . . . 52 GLY HA3 . 11227 1
540 . 1 1 52 52 GLY C C 13 173.506 0.300 . 1 . . . . 52 GLY C . 11227 1
541 . 1 1 52 52 GLY CA C 13 44.931 0.300 . 1 . . . . 52 GLY CA . 11227 1
542 . 1 1 52 52 GLY N N 15 109.392 0.300 . 1 . . . . 52 GLY N . 11227 1
543 . 1 1 53 53 PRO HA H 1 4.300 0.030 . 1 . . . . 53 PRO HA . 11227 1
544 . 1 1 53 53 PRO HB2 H 1 2.316 0.030 . 2 . . . . 53 PRO HB2 . 11227 1
545 . 1 1 53 53 PRO HB3 H 1 1.999 0.030 . 2 . . . . 53 PRO HB3 . 11227 1
546 . 1 1 53 53 PRO HD2 H 1 3.734 0.030 . 2 . . . . 53 PRO HD2 . 11227 1
547 . 1 1 53 53 PRO HD3 H 1 3.646 0.030 . 2 . . . . 53 PRO HD3 . 11227 1
548 . 1 1 53 53 PRO HG2 H 1 2.020 0.030 . 2 . . . . 53 PRO HG2 . 11227 1
549 . 1 1 53 53 PRO HG3 H 1 2.077 0.030 . 2 . . . . 53 PRO HG3 . 11227 1
550 . 1 1 53 53 PRO CA C 13 64.730 0.300 . 1 . . . . 53 PRO CA . 11227 1
551 . 1 1 53 53 PRO CB C 13 31.833 0.300 . 1 . . . . 53 PRO CB . 11227 1
552 . 1 1 53 53 PRO CD C 13 50.030 0.300 . 1 . . . . 53 PRO CD . 11227 1
553 . 1 1 53 53 PRO CG C 13 27.288 0.300 . 1 . . . . 53 PRO CG . 11227 1
554 . 1 1 54 54 SER HA H 1 4.480 0.030 . 1 . . . . 54 SER HA . 11227 1
555 . 1 1 54 54 SER HB2 H 1 3.947 0.030 . 2 . . . . 54 SER HB2 . 11227 1
556 . 1 1 54 54 SER HB3 H 1 3.999 0.030 . 2 . . . . 54 SER HB3 . 11227 1
557 . 1 1 54 54 SER C C 13 174.961 0.300 . 1 . . . . 54 SER C . 11227 1
558 . 1 1 54 54 SER CA C 13 59.355 0.300 . 1 . . . . 54 SER CA . 11227 1
559 . 1 1 54 54 SER CB C 13 62.972 0.300 . 1 . . . . 54 SER CB . 11227 1
560 . 1 1 55 55 SER H H 1 7.934 0.030 . 1 . . . . 55 SER H . 11227 1
561 . 1 1 55 55 SER HA H 1 4.401 0.030 . 1 . . . . 55 SER HA . 11227 1
562 . 1 1 55 55 SER HB2 H 1 3.806 0.030 . 1 . . . . 55 SER HB2 . 11227 1
563 . 1 1 55 55 SER HB3 H 1 3.806 0.030 . 1 . . . . 55 SER HB3 . 11227 1
564 . 1 1 55 55 SER C C 13 173.721 0.300 . 1 . . . . 55 SER C . 11227 1
565 . 1 1 55 55 SER CA C 13 59.302 0.300 . 1 . . . . 55 SER CA . 11227 1
566 . 1 1 55 55 SER CB C 13 64.185 0.300 . 1 . . . . 55 SER CB . 11227 1
567 . 1 1 55 55 SER N N 15 116.227 0.300 . 1 . . . . 55 SER N . 11227 1
568 . 1 1 56 56 VAL H H 1 7.389 0.030 . 1 . . . . 56 VAL H . 11227 1
569 . 1 1 56 56 VAL HA H 1 3.983 0.030 . 1 . . . . 56 VAL HA . 11227 1
570 . 1 1 56 56 VAL HB H 1 1.807 0.030 . 1 . . . . 56 VAL HB . 11227 1
571 . 1 1 56 56 VAL HG11 H 1 0.447 0.030 . 1 . . . . 56 VAL HG1 . 11227 1
572 . 1 1 56 56 VAL HG12 H 1 0.447 0.030 . 1 . . . . 56 VAL HG1 . 11227 1
573 . 1 1 56 56 VAL HG13 H 1 0.447 0.030 . 1 . . . . 56 VAL HG1 . 11227 1
574 . 1 1 56 56 VAL HG21 H 1 0.601 0.030 . 1 . . . . 56 VAL HG2 . 11227 1
575 . 1 1 56 56 VAL HG22 H 1 0.601 0.030 . 1 . . . . 56 VAL HG2 . 11227 1
576 . 1 1 56 56 VAL HG23 H 1 0.601 0.030 . 1 . . . . 56 VAL HG2 . 11227 1
577 . 1 1 56 56 VAL C C 13 174.549 0.300 . 1 . . . . 56 VAL C . 11227 1
578 . 1 1 56 56 VAL CA C 13 62.573 0.300 . 1 . . . . 56 VAL CA . 11227 1
579 . 1 1 56 56 VAL CB C 13 32.025 0.300 . 1 . . . . 56 VAL CB . 11227 1
580 . 1 1 56 56 VAL CG1 C 13 22.558 0.300 . 2 . . . . 56 VAL CG1 . 11227 1
581 . 1 1 56 56 VAL CG2 C 13 21.703 0.300 . 2 . . . . 56 VAL CG2 . 11227 1
582 . 1 1 56 56 VAL N N 15 122.187 0.300 . 1 . . . . 56 VAL N . 11227 1
583 . 1 1 57 57 ARG H H 1 8.123 0.030 . 1 . . . . 57 ARG H . 11227 1
584 . 1 1 57 57 ARG HA H 1 4.480 0.030 . 1 . . . . 57 ARG HA . 11227 1
585 . 1 1 57 57 ARG HB2 H 1 1.397 0.030 . 2 . . . . 57 ARG HB2 . 11227 1
586 . 1 1 57 57 ARG HB3 H 1 0.268 0.030 . 2 . . . . 57 ARG HB3 . 11227 1
587 . 1 1 57 57 ARG HD2 H 1 3.119 0.030 . 1 . . . . 57 ARG HD2 . 11227 1
588 . 1 1 57 57 ARG HD3 H 1 3.119 0.030 . 1 . . . . 57 ARG HD3 . 11227 1
589 . 1 1 57 57 ARG HG2 H 1 1.410 0.030 . 2 . . . . 57 ARG HG2 . 11227 1
590 . 1 1 57 57 ARG HG3 H 1 1.455 0.030 . 2 . . . . 57 ARG HG3 . 11227 1
591 . 1 1 57 57 ARG C C 13 172.993 0.300 . 1 . . . . 57 ARG C . 11227 1
592 . 1 1 57 57 ARG CA C 13 53.746 0.300 . 1 . . . . 57 ARG CA . 11227 1
593 . 1 1 57 57 ARG CB C 13 33.174 0.300 . 1 . . . . 57 ARG CB . 11227 1
594 . 1 1 57 57 ARG CD C 13 43.307 0.300 . 1 . . . . 57 ARG CD . 11227 1
595 . 1 1 57 57 ARG CG C 13 27.089 0.300 . 1 . . . . 57 ARG CG . 11227 1
596 . 1 1 57 57 ARG N N 15 126.885 0.300 . 1 . . . . 57 ARG N . 11227 1
597 . 1 1 58 58 PHE H H 1 8.260 0.030 . 1 . . . . 58 PHE H . 11227 1
598 . 1 1 58 58 PHE HA H 1 5.971 0.030 . 1 . . . . 58 PHE HA . 11227 1
599 . 1 1 58 58 PHE HB2 H 1 3.048 0.030 . 2 . . . . 58 PHE HB2 . 11227 1
600 . 1 1 58 58 PHE HB3 H 1 2.809 0.030 . 2 . . . . 58 PHE HB3 . 11227 1
601 . 1 1 58 58 PHE HD1 H 1 7.136 0.030 . 1 . . . . 58 PHE HD1 . 11227 1
602 . 1 1 58 58 PHE HD2 H 1 7.136 0.030 . 1 . . . . 58 PHE HD2 . 11227 1
603 . 1 1 58 58 PHE HE1 H 1 7.179 0.030 . 1 . . . . 58 PHE HE1 . 11227 1
604 . 1 1 58 58 PHE HE2 H 1 7.179 0.030 . 1 . . . . 58 PHE HE2 . 11227 1
605 . 1 1 58 58 PHE HZ H 1 7.165 0.030 . 1 . . . . 58 PHE HZ . 11227 1
606 . 1 1 58 58 PHE C C 13 176.622 0.300 . 1 . . . . 58 PHE C . 11227 1
607 . 1 1 58 58 PHE CA C 13 56.060 0.300 . 1 . . . . 58 PHE CA . 11227 1
608 . 1 1 58 58 PHE CB C 13 43.962 0.300 . 1 . . . . 58 PHE CB . 11227 1
609 . 1 1 58 58 PHE CD1 C 13 131.910 0.300 . 1 . . . . 58 PHE CD1 . 11227 1
610 . 1 1 58 58 PHE CD2 C 13 131.910 0.300 . 1 . . . . 58 PHE CD2 . 11227 1
611 . 1 1 58 58 PHE CE1 C 13 130.720 0.300 . 1 . . . . 58 PHE CE1 . 11227 1
612 . 1 1 58 58 PHE CE2 C 13 130.720 0.300 . 1 . . . . 58 PHE CE2 . 11227 1
613 . 1 1 58 58 PHE CZ C 13 129.106 0.300 . 1 . . . . 58 PHE CZ . 11227 1
614 . 1 1 58 58 PHE N N 15 115.261 0.300 . 1 . . . . 58 PHE N . 11227 1
615 . 1 1 59 59 LEU H H 1 9.521 0.030 . 1 . . . . 59 LEU H . 11227 1
616 . 1 1 59 59 LEU HA H 1 4.901 0.030 . 1 . . . . 59 LEU HA . 11227 1
617 . 1 1 59 59 LEU HB2 H 1 1.774 0.030 . 1 . . . . 59 LEU HB2 . 11227 1
618 . 1 1 59 59 LEU HB3 H 1 1.774 0.030 . 1 . . . . 59 LEU HB3 . 11227 1
619 . 1 1 59 59 LEU HD11 H 1 0.941 0.030 . 1 . . . . 59 LEU HD1 . 11227 1
620 . 1 1 59 59 LEU HD12 H 1 0.941 0.030 . 1 . . . . 59 LEU HD1 . 11227 1
621 . 1 1 59 59 LEU HD13 H 1 0.941 0.030 . 1 . . . . 59 LEU HD1 . 11227 1
622 . 1 1 59 59 LEU HD21 H 1 1.097 0.030 . 1 . . . . 59 LEU HD2 . 11227 1
623 . 1 1 59 59 LEU HD22 H 1 1.097 0.030 . 1 . . . . 59 LEU HD2 . 11227 1
624 . 1 1 59 59 LEU HD23 H 1 1.097 0.030 . 1 . . . . 59 LEU HD2 . 11227 1
625 . 1 1 59 59 LEU HG H 1 1.710 0.030 . 1 . . . . 59 LEU HG . 11227 1
626 . 1 1 59 59 LEU C C 13 174.897 0.300 . 1 . . . . 59 LEU C . 11227 1
627 . 1 1 59 59 LEU CA C 13 54.894 0.300 . 1 . . . . 59 LEU CA . 11227 1
628 . 1 1 59 59 LEU CB C 13 46.640 0.300 . 1 . . . . 59 LEU CB . 11227 1
629 . 1 1 59 59 LEU CD1 C 13 26.544 0.300 . 2 . . . . 59 LEU CD1 . 11227 1
630 . 1 1 59 59 LEU CD2 C 13 24.848 0.300 . 2 . . . . 59 LEU CD2 . 11227 1
631 . 1 1 59 59 LEU CG C 13 27.279 0.300 . 1 . . . . 59 LEU CG . 11227 1
632 . 1 1 59 59 LEU N N 15 124.471 0.300 . 1 . . . . 59 LEU N . 11227 1
633 . 1 1 60 60 LYS H H 1 8.957 0.030 . 1 . . . . 60 LYS H . 11227 1
634 . 1 1 60 60 LYS HA H 1 5.543 0.030 . 1 . . . . 60 LYS HA . 11227 1
635 . 1 1 60 60 LYS HB2 H 1 1.943 0.030 . 1 . . . . 60 LYS HB2 . 11227 1
636 . 1 1 60 60 LYS HB3 H 1 1.943 0.030 . 1 . . . . 60 LYS HB3 . 11227 1
637 . 1 1 60 60 LYS HD2 H 1 1.763 0.030 . 1 . . . . 60 LYS HD2 . 11227 1
638 . 1 1 60 60 LYS HD3 H 1 1.763 0.030 . 1 . . . . 60 LYS HD3 . 11227 1
639 . 1 1 60 60 LYS HE2 H 1 3.014 0.030 . 1 . . . . 60 LYS HE2 . 11227 1
640 . 1 1 60 60 LYS HE3 H 1 3.014 0.030 . 1 . . . . 60 LYS HE3 . 11227 1
641 . 1 1 60 60 LYS HG2 H 1 1.493 0.030 . 2 . . . . 60 LYS HG2 . 11227 1
642 . 1 1 60 60 LYS HG3 H 1 1.724 0.030 . 2 . . . . 60 LYS HG3 . 11227 1
643 . 1 1 60 60 LYS C C 13 176.194 0.300 . 1 . . . . 60 LYS C . 11227 1
644 . 1 1 60 60 LYS CA C 13 55.552 0.300 . 1 . . . . 60 LYS CA . 11227 1
645 . 1 1 60 60 LYS CB C 13 34.226 0.300 . 1 . . . . 60 LYS CB . 11227 1
646 . 1 1 60 60 LYS CD C 13 29.295 0.300 . 1 . . . . 60 LYS CD . 11227 1
647 . 1 1 60 60 LYS CE C 13 41.988 0.300 . 1 . . . . 60 LYS CE . 11227 1
648 . 1 1 60 60 LYS CG C 13 25.568 0.300 . 1 . . . . 60 LYS CG . 11227 1
649 . 1 1 60 60 LYS N N 15 126.384 0.300 . 1 . . . . 60 LYS N . 11227 1
650 . 1 1 61 61 THR H H 1 8.686 0.030 . 1 . . . . 61 THR H . 11227 1
651 . 1 1 61 61 THR HA H 1 5.142 0.030 . 1 . . . . 61 THR HA . 11227 1
652 . 1 1 61 61 THR HB H 1 4.552 0.030 . 1 . . . . 61 THR HB . 11227 1
653 . 1 1 61 61 THR HG21 H 1 1.683 0.030 . 1 . . . . 61 THR HG2 . 11227 1
654 . 1 1 61 61 THR HG22 H 1 1.683 0.030 . 1 . . . . 61 THR HG2 . 11227 1
655 . 1 1 61 61 THR HG23 H 1 1.683 0.030 . 1 . . . . 61 THR HG2 . 11227 1
656 . 1 1 61 61 THR C C 13 172.834 0.300 . 1 . . . . 61 THR C . 11227 1
657 . 1 1 61 61 THR CA C 13 59.394 0.300 . 1 . . . . 61 THR CA . 11227 1
658 . 1 1 61 61 THR CB C 13 70.222 0.300 . 1 . . . . 61 THR CB . 11227 1
659 . 1 1 61 61 THR CG2 C 13 19.910 0.300 . 1 . . . . 61 THR CG2 . 11227 1
660 . 1 1 61 61 THR N N 15 116.231 0.300 . 1 . . . . 61 THR N . 11227 1
661 . 1 1 62 62 SER H H 1 9.117 0.030 . 1 . . . . 62 SER H . 11227 1
662 . 1 1 62 62 SER HA H 1 4.809 0.030 . 1 . . . . 62 SER HA . 11227 1
663 . 1 1 62 62 SER HB2 H 1 4.209 0.030 . 2 . . . . 62 SER HB2 . 11227 1
664 . 1 1 62 62 SER HB3 H 1 4.136 0.030 . 2 . . . . 62 SER HB3 . 11227 1
665 . 1 1 62 62 SER C C 13 173.742 0.300 . 1 . . . . 62 SER C . 11227 1
666 . 1 1 62 62 SER CA C 13 59.305 0.300 . 1 . . . . 62 SER CA . 11227 1
667 . 1 1 62 62 SER CB C 13 63.677 0.300 . 1 . . . . 62 SER CB . 11227 1
668 . 1 1 62 62 SER N N 15 121.031 0.300 . 1 . . . . 62 SER N . 11227 1
669 . 1 1 63 63 GLU H H 1 8.251 0.030 . 1 . . . . 63 GLU H . 11227 1
670 . 1 1 63 63 GLU HA H 1 4.894 0.030 . 1 . . . . 63 GLU HA . 11227 1
671 . 1 1 63 63 GLU HB2 H 1 2.068 0.030 . 2 . . . . 63 GLU HB2 . 11227 1
672 . 1 1 63 63 GLU HB3 H 1 1.933 0.030 . 2 . . . . 63 GLU HB3 . 11227 1
673 . 1 1 63 63 GLU HG2 H 1 2.271 0.030 . 1 . . . . 63 GLU HG2 . 11227 1
674 . 1 1 63 63 GLU HG3 H 1 2.271 0.030 . 1 . . . . 63 GLU HG3 . 11227 1
675 . 1 1 63 63 GLU C C 13 174.505 0.300 . 1 . . . . 63 GLU C . 11227 1
676 . 1 1 63 63 GLU CA C 13 54.480 0.300 . 1 . . . . 63 GLU CA . 11227 1
677 . 1 1 63 63 GLU CB C 13 32.690 0.300 . 1 . . . . 63 GLU CB . 11227 1
678 . 1 1 63 63 GLU CG C 13 35.920 0.300 . 1 . . . . 63 GLU CG . 11227 1
679 . 1 1 63 63 GLU N N 15 120.602 0.300 . 1 . . . . 63 GLU N . 11227 1
680 . 1 1 64 64 ASN H H 1 8.446 0.030 . 1 . . . . 64 ASN H . 11227 1
681 . 1 1 64 64 ASN HA H 1 3.574 0.030 . 1 . . . . 64 ASN HA . 11227 1
682 . 1 1 64 64 ASN HB2 H 1 1.936 0.030 . 2 . . . . 64 ASN HB2 . 11227 1
683 . 1 1 64 64 ASN HB3 H 1 1.750 0.030 . 2 . . . . 64 ASN HB3 . 11227 1
684 . 1 1 64 64 ASN HD21 H 1 6.836 0.030 . 2 . . . . 64 ASN HD21 . 11227 1
685 . 1 1 64 64 ASN HD22 H 1 7.950 0.030 . 2 . . . . 64 ASN HD22 . 11227 1
686 . 1 1 64 64 ASN C C 13 173.156 0.300 . 1 . . . . 64 ASN C . 11227 1
687 . 1 1 64 64 ASN CA C 13 52.443 0.300 . 1 . . . . 64 ASN CA . 11227 1
688 . 1 1 64 64 ASN CB C 13 34.298 0.300 . 1 . . . . 64 ASN CB . 11227 1
689 . 1 1 64 64 ASN N N 15 118.249 0.300 . 1 . . . . 64 ASN N . 11227 1
690 . 1 1 64 64 ASN ND2 N 15 115.220 0.300 . 1 . . . . 64 ASN ND2 . 11227 1
691 . 1 1 65 65 ARG H H 1 7.079 0.030 . 1 . . . . 65 ARG H . 11227 1
692 . 1 1 65 65 ARG HA H 1 3.888 0.030 . 1 . . . . 65 ARG HA . 11227 1
693 . 1 1 65 65 ARG HB2 H 1 1.655 0.030 . 2 . . . . 65 ARG HB2 . 11227 1
694 . 1 1 65 65 ARG HB3 H 1 1.514 0.030 . 2 . . . . 65 ARG HB3 . 11227 1
695 . 1 1 65 65 ARG HD2 H 1 2.948 0.030 . 1 . . . . 65 ARG HD2 . 11227 1
696 . 1 1 65 65 ARG HD3 H 1 2.948 0.030 . 1 . . . . 65 ARG HD3 . 11227 1
697 . 1 1 65 65 ARG HG2 H 1 1.149 0.030 . 1 . . . . 65 ARG HG2 . 11227 1
698 . 1 1 65 65 ARG HG3 H 1 1.149 0.030 . 1 . . . . 65 ARG HG3 . 11227 1
699 . 1 1 65 65 ARG C C 13 174.178 0.300 . 1 . . . . 65 ARG C . 11227 1
700 . 1 1 65 65 ARG CA C 13 54.552 0.300 . 1 . . . . 65 ARG CA . 11227 1
701 . 1 1 65 65 ARG CB C 13 32.332 0.300 . 1 . . . . 65 ARG CB . 11227 1
702 . 1 1 65 65 ARG CD C 13 43.325 0.300 . 1 . . . . 65 ARG CD . 11227 1
703 . 1 1 65 65 ARG CG C 13 25.450 0.300 . 1 . . . . 65 ARG CG . 11227 1
704 . 1 1 65 65 ARG N N 15 114.478 0.300 . 1 . . . . 65 ARG N . 11227 1
705 . 1 1 66 66 ALA H H 1 8.201 0.030 . 1 . . . . 66 ALA H . 11227 1
706 . 1 1 66 66 ALA HA H 1 4.598 0.030 . 1 . . . . 66 ALA HA . 11227 1
707 . 1 1 66 66 ALA HB1 H 1 1.456 0.030 . 1 . . . . 66 ALA HB . 11227 1
708 . 1 1 66 66 ALA HB2 H 1 1.456 0.030 . 1 . . . . 66 ALA HB . 11227 1
709 . 1 1 66 66 ALA HB3 H 1 1.456 0.030 . 1 . . . . 66 ALA HB . 11227 1
710 . 1 1 66 66 ALA C C 13 174.459 0.300 . 1 . . . . 66 ALA C . 11227 1
711 . 1 1 66 66 ALA CA C 13 51.746 0.300 . 1 . . . . 66 ALA CA . 11227 1
712 . 1 1 66 66 ALA CB C 13 23.339 0.300 . 1 . . . . 66 ALA CB . 11227 1
713 . 1 1 66 66 ALA N N 15 118.248 0.300 . 1 . . . . 66 ALA N . 11227 1
714 . 1 1 67 67 GLU H H 1 8.422 0.030 . 1 . . . . 67 GLU H . 11227 1
715 . 1 1 67 67 GLU HA H 1 4.988 0.030 . 1 . . . . 67 GLU HA . 11227 1
716 . 1 1 67 67 GLU HB2 H 1 1.781 0.030 . 2 . . . . 67 GLU HB2 . 11227 1
717 . 1 1 67 67 GLU HB3 H 1 1.859 0.030 . 2 . . . . 67 GLU HB3 . 11227 1
718 . 1 1 67 67 GLU HG2 H 1 2.002 0.030 . 2 . . . . 67 GLU HG2 . 11227 1
719 . 1 1 67 67 GLU HG3 H 1 2.053 0.030 . 2 . . . . 67 GLU HG3 . 11227 1
720 . 1 1 67 67 GLU C C 13 174.524 0.300 . 1 . . . . 67 GLU C . 11227 1
721 . 1 1 67 67 GLU CA C 13 54.575 0.300 . 1 . . . . 67 GLU CA . 11227 1
722 . 1 1 67 67 GLU CB C 13 31.175 0.300 . 1 . . . . 67 GLU CB . 11227 1
723 . 1 1 67 67 GLU CG C 13 35.427 0.300 . 1 . . . . 67 GLU CG . 11227 1
724 . 1 1 67 67 GLU N N 15 121.545 0.300 . 1 . . . . 67 GLU N . 11227 1
725 . 1 1 68 68 LEU H H 1 9.052 0.030 . 1 . . . . 68 LEU H . 11227 1
726 . 1 1 68 68 LEU HA H 1 4.380 0.030 . 1 . . . . 68 LEU HA . 11227 1
727 . 1 1 68 68 LEU HB2 H 1 1.498 0.030 . 2 . . . . 68 LEU HB2 . 11227 1
728 . 1 1 68 68 LEU HB3 H 1 0.695 0.030 . 2 . . . . 68 LEU HB3 . 11227 1
729 . 1 1 68 68 LEU HD11 H 1 0.044 0.030 . 1 . . . . 68 LEU HD1 . 11227 1
730 . 1 1 68 68 LEU HD12 H 1 0.044 0.030 . 1 . . . . 68 LEU HD1 . 11227 1
731 . 1 1 68 68 LEU HD13 H 1 0.044 0.030 . 1 . . . . 68 LEU HD1 . 11227 1
732 . 1 1 68 68 LEU HD21 H 1 0.131 0.030 . 1 . . . . 68 LEU HD2 . 11227 1
733 . 1 1 68 68 LEU HD22 H 1 0.131 0.030 . 1 . . . . 68 LEU HD2 . 11227 1
734 . 1 1 68 68 LEU HD23 H 1 0.131 0.030 . 1 . . . . 68 LEU HD2 . 11227 1
735 . 1 1 68 68 LEU HG H 1 1.178 0.030 . 1 . . . . 68 LEU HG . 11227 1
736 . 1 1 68 68 LEU C C 13 175.167 0.300 . 1 . . . . 68 LEU C . 11227 1
737 . 1 1 68 68 LEU CA C 13 53.318 0.300 . 1 . . . . 68 LEU CA . 11227 1
738 . 1 1 68 68 LEU CB C 13 41.693 0.300 . 1 . . . . 68 LEU CB . 11227 1
739 . 1 1 68 68 LEU CD1 C 13 24.268 0.300 . 2 . . . . 68 LEU CD1 . 11227 1
740 . 1 1 68 68 LEU CD2 C 13 22.575 0.300 . 2 . . . . 68 LEU CD2 . 11227 1
741 . 1 1 68 68 LEU CG C 13 26.435 0.300 . 1 . . . . 68 LEU CG . 11227 1
742 . 1 1 68 68 LEU N N 15 126.217 0.300 . 1 . . . . 68 LEU N . 11227 1
743 . 1 1 69 69 ARG H H 1 8.199 0.030 . 1 . . . . 69 ARG H . 11227 1
744 . 1 1 69 69 ARG HA H 1 4.774 0.030 . 1 . . . . 69 ARG HA . 11227 1
745 . 1 1 69 69 ARG HB2 H 1 1.876 0.030 . 2 . . . . 69 ARG HB2 . 11227 1
746 . 1 1 69 69 ARG HB3 H 1 1.658 0.030 . 2 . . . . 69 ARG HB3 . 11227 1
747 . 1 1 69 69 ARG HD2 H 1 3.151 0.030 . 1 . . . . 69 ARG HD2 . 11227 1
748 . 1 1 69 69 ARG HD3 H 1 3.151 0.030 . 1 . . . . 69 ARG HD3 . 11227 1
749 . 1 1 69 69 ARG HG2 H 1 1.475 0.030 . 1 . . . . 69 ARG HG2 . 11227 1
750 . 1 1 69 69 ARG HG3 H 1 1.475 0.030 . 1 . . . . 69 ARG HG3 . 11227 1
751 . 1 1 69 69 ARG C C 13 176.101 0.300 . 1 . . . . 69 ARG C . 11227 1
752 . 1 1 69 69 ARG CA C 13 54.547 0.300 . 1 . . . . 69 ARG CA . 11227 1
753 . 1 1 69 69 ARG CB C 13 33.320 0.300 . 1 . . . . 69 ARG CB . 11227 1
754 . 1 1 69 69 ARG CD C 13 43.305 0.300 . 1 . . . . 69 ARG CD . 11227 1
755 . 1 1 69 69 ARG CG C 13 27.942 0.300 . 1 . . . . 69 ARG CG . 11227 1
756 . 1 1 69 69 ARG N N 15 120.899 0.300 . 1 . . . . 69 ARG N . 11227 1
757 . 1 1 70 70 GLY H H 1 8.858 0.030 . 1 . . . . 70 GLY H . 11227 1
758 . 1 1 70 70 GLY HA2 H 1 3.898 0.030 . 1 . . . . 70 GLY HA2 . 11227 1
759 . 1 1 70 70 GLY HA3 H 1 3.898 0.030 . 1 . . . . 70 GLY HA3 . 11227 1
760 . 1 1 70 70 GLY C C 13 175.618 0.300 . 1 . . . . 70 GLY C . 11227 1
761 . 1 1 70 70 GLY CA C 13 46.463 0.300 . 1 . . . . 70 GLY CA . 11227 1
762 . 1 1 70 70 GLY N N 15 108.827 0.300 . 1 . . . . 70 GLY N . 11227 1
763 . 1 1 71 71 LEU H H 1 8.237 0.030 . 1 . . . . 71 LEU H . 11227 1
764 . 1 1 71 71 LEU HA H 1 4.171 0.030 . 1 . . . . 71 LEU HA . 11227 1
765 . 1 1 71 71 LEU HB2 H 1 1.387 0.030 . 2 . . . . 71 LEU HB2 . 11227 1
766 . 1 1 71 71 LEU HB3 H 1 1.029 0.030 . 2 . . . . 71 LEU HB3 . 11227 1
767 . 1 1 71 71 LEU HD11 H 1 0.012 0.030 . 1 . . . . 71 LEU HD1 . 11227 1
768 . 1 1 71 71 LEU HD12 H 1 0.012 0.030 . 1 . . . . 71 LEU HD1 . 11227 1
769 . 1 1 71 71 LEU HD13 H 1 0.012 0.030 . 1 . . . . 71 LEU HD1 . 11227 1
770 . 1 1 71 71 LEU HD21 H 1 0.103 0.030 . 1 . . . . 71 LEU HD2 . 11227 1
771 . 1 1 71 71 LEU HD22 H 1 0.103 0.030 . 1 . . . . 71 LEU HD2 . 11227 1
772 . 1 1 71 71 LEU HD23 H 1 0.103 0.030 . 1 . . . . 71 LEU HD2 . 11227 1
773 . 1 1 71 71 LEU HG H 1 1.031 0.030 . 1 . . . . 71 LEU HG . 11227 1
774 . 1 1 71 71 LEU C C 13 175.943 0.300 . 1 . . . . 71 LEU C . 11227 1
775 . 1 1 71 71 LEU CA C 13 53.339 0.300 . 1 . . . . 71 LEU CA . 11227 1
776 . 1 1 71 71 LEU CB C 13 40.937 0.300 . 1 . . . . 71 LEU CB . 11227 1
777 . 1 1 71 71 LEU CD1 C 13 25.851 0.300 . 2 . . . . 71 LEU CD1 . 11227 1
778 . 1 1 71 71 LEU CD2 C 13 19.950 0.300 . 2 . . . . 71 LEU CD2 . 11227 1
779 . 1 1 71 71 LEU CG C 13 26.019 0.300 . 1 . . . . 71 LEU CG . 11227 1
780 . 1 1 71 71 LEU N N 15 118.701 0.300 . 1 . . . . 71 LEU N . 11227 1
781 . 1 1 72 72 LYS H H 1 8.099 0.030 . 1 . . . . 72 LYS H . 11227 1
782 . 1 1 72 72 LYS HA H 1 4.227 0.030 . 1 . . . . 72 LYS HA . 11227 1
783 . 1 1 72 72 LYS HB2 H 1 1.685 0.030 . 2 . . . . 72 LYS HB2 . 11227 1
784 . 1 1 72 72 LYS HB3 H 1 1.774 0.030 . 2 . . . . 72 LYS HB3 . 11227 1
785 . 1 1 72 72 LYS HD2 H 1 1.649 0.030 . 1 . . . . 72 LYS HD2 . 11227 1
786 . 1 1 72 72 LYS HD3 H 1 1.649 0.030 . 1 . . . . 72 LYS HD3 . 11227 1
787 . 1 1 72 72 LYS HE2 H 1 2.974 0.030 . 1 . . . . 72 LYS HE2 . 11227 1
788 . 1 1 72 72 LYS HE3 H 1 2.974 0.030 . 1 . . . . 72 LYS HE3 . 11227 1
789 . 1 1 72 72 LYS HG2 H 1 1.534 0.030 . 2 . . . . 72 LYS HG2 . 11227 1
790 . 1 1 72 72 LYS HG3 H 1 1.403 0.030 . 2 . . . . 72 LYS HG3 . 11227 1
791 . 1 1 72 72 LYS C C 13 176.815 0.300 . 1 . . . . 72 LYS C . 11227 1
792 . 1 1 72 72 LYS CA C 13 56.261 0.300 . 1 . . . . 72 LYS CA . 11227 1
793 . 1 1 72 72 LYS CB C 13 33.593 0.300 . 1 . . . . 72 LYS CB . 11227 1
794 . 1 1 72 72 LYS CD C 13 29.564 0.300 . 1 . . . . 72 LYS CD . 11227 1
795 . 1 1 72 72 LYS CE C 13 41.988 0.300 . 1 . . . . 72 LYS CE . 11227 1
796 . 1 1 72 72 LYS CG C 13 25.076 0.300 . 1 . . . . 72 LYS CG . 11227 1
797 . 1 1 72 72 LYS N N 15 120.511 0.300 . 1 . . . . 72 LYS N . 11227 1
798 . 1 1 73 73 ARG H H 1 8.363 0.030 . 1 . . . . 73 ARG H . 11227 1
799 . 1 1 73 73 ARG HA H 1 4.532 0.030 . 1 . . . . 73 ARG HA . 11227 1
800 . 1 1 73 73 ARG HB2 H 1 1.800 0.030 . 2 . . . . 73 ARG HB2 . 11227 1
801 . 1 1 73 73 ARG HB3 H 1 1.848 0.030 . 2 . . . . 73 ARG HB3 . 11227 1
802 . 1 1 73 73 ARG HD2 H 1 3.153 0.030 . 1 . . . . 73 ARG HD2 . 11227 1
803 . 1 1 73 73 ARG HD3 H 1 3.153 0.030 . 1 . . . . 73 ARG HD3 . 11227 1
804 . 1 1 73 73 ARG HG2 H 1 1.525 0.030 . 2 . . . . 73 ARG HG2 . 11227 1
805 . 1 1 73 73 ARG HG3 H 1 1.742 0.030 . 2 . . . . 73 ARG HG3 . 11227 1
806 . 1 1 73 73 ARG C C 13 177.856 0.300 . 1 . . . . 73 ARG C . 11227 1
807 . 1 1 73 73 ARG CA C 13 56.677 0.300 . 1 . . . . 73 ARG CA . 11227 1
808 . 1 1 73 73 ARG CB C 13 31.680 0.300 . 1 . . . . 73 ARG CB . 11227 1
809 . 1 1 73 73 ARG CD C 13 43.317 0.300 . 1 . . . . 73 ARG CD . 11227 1
810 . 1 1 73 73 ARG CG C 13 27.307 0.300 . 1 . . . . 73 ARG CG . 11227 1
811 . 1 1 73 73 ARG N N 15 125.650 0.300 . 1 . . . . 73 ARG N . 11227 1
812 . 1 1 74 74 GLY H H 1 8.422 0.030 . 1 . . . . 74 GLY H . 11227 1
813 . 1 1 74 74 GLY HA2 H 1 3.949 0.030 . 2 . . . . 74 GLY HA2 . 11227 1
814 . 1 1 74 74 GLY HA3 H 1 3.644 0.030 . 2 . . . . 74 GLY HA3 . 11227 1
815 . 1 1 74 74 GLY C C 13 173.381 0.300 . 1 . . . . 74 GLY C . 11227 1
816 . 1 1 74 74 GLY CA C 13 46.489 0.300 . 1 . . . . 74 GLY CA . 11227 1
817 . 1 1 75 75 ALA H H 1 7.639 0.030 . 1 . . . . 75 ALA H . 11227 1
818 . 1 1 75 75 ALA HA H 1 4.566 0.030 . 1 . . . . 75 ALA HA . 11227 1
819 . 1 1 75 75 ALA HB1 H 1 1.245 0.030 . 1 . . . . 75 ALA HB . 11227 1
820 . 1 1 75 75 ALA HB2 H 1 1.245 0.030 . 1 . . . . 75 ALA HB . 11227 1
821 . 1 1 75 75 ALA HB3 H 1 1.245 0.030 . 1 . . . . 75 ALA HB . 11227 1
822 . 1 1 75 75 ALA C C 13 176.360 0.300 . 1 . . . . 75 ALA C . 11227 1
823 . 1 1 75 75 ALA CA C 13 51.263 0.300 . 1 . . . . 75 ALA CA . 11227 1
824 . 1 1 75 75 ALA CB C 13 21.573 0.300 . 1 . . . . 75 ALA CB . 11227 1
825 . 1 1 75 75 ALA N N 15 122.908 0.300 . 1 . . . . 75 ALA N . 11227 1
826 . 1 1 76 76 SER H H 1 8.527 0.030 . 1 . . . . 76 SER H . 11227 1
827 . 1 1 76 76 SER HA H 1 4.895 0.030 . 1 . . . . 76 SER HA . 11227 1
828 . 1 1 76 76 SER HB2 H 1 3.734 0.030 . 1 . . . . 76 SER HB2 . 11227 1
829 . 1 1 76 76 SER HB3 H 1 3.734 0.030 . 1 . . . . 76 SER HB3 . 11227 1
830 . 1 1 76 76 SER C C 13 173.065 0.300 . 1 . . . . 76 SER C . 11227 1
831 . 1 1 76 76 SER CA C 13 58.050 0.300 . 1 . . . . 76 SER CA . 11227 1
832 . 1 1 76 76 SER CB C 13 64.722 0.300 . 1 . . . . 76 SER CB . 11227 1
833 . 1 1 76 76 SER N N 15 115.983 0.300 . 1 . . . . 76 SER N . 11227 1
834 . 1 1 77 77 TYR H H 1 8.943 0.030 . 1 . . . . 77 TYR H . 11227 1
835 . 1 1 77 77 TYR HA H 1 4.735 0.030 . 1 . . . . 77 TYR HA . 11227 1
836 . 1 1 77 77 TYR HB2 H 1 2.450 0.030 . 1 . . . . 77 TYR HB2 . 11227 1
837 . 1 1 77 77 TYR HB3 H 1 2.450 0.030 . 1 . . . . 77 TYR HB3 . 11227 1
838 . 1 1 77 77 TYR HD1 H 1 6.835 0.030 . 1 . . . . 77 TYR HD1 . 11227 1
839 . 1 1 77 77 TYR HD2 H 1 6.835 0.030 . 1 . . . . 77 TYR HD2 . 11227 1
840 . 1 1 77 77 TYR HE1 H 1 6.850 0.030 . 1 . . . . 77 TYR HE1 . 11227 1
841 . 1 1 77 77 TYR HE2 H 1 6.850 0.030 . 1 . . . . 77 TYR HE2 . 11227 1
842 . 1 1 77 77 TYR C C 13 174.050 0.300 . 1 . . . . 77 TYR C . 11227 1
843 . 1 1 77 77 TYR CA C 13 57.799 0.300 . 1 . . . . 77 TYR CA . 11227 1
844 . 1 1 77 77 TYR CB C 13 42.222 0.300 . 1 . . . . 77 TYR CB . 11227 1
845 . 1 1 77 77 TYR CD1 C 13 131.933 0.300 . 1 . . . . 77 TYR CD1 . 11227 1
846 . 1 1 77 77 TYR CD2 C 13 131.933 0.300 . 1 . . . . 77 TYR CD2 . 11227 1
847 . 1 1 77 77 TYR CE1 C 13 118.728 0.300 . 1 . . . . 77 TYR CE1 . 11227 1
848 . 1 1 77 77 TYR CE2 C 13 118.728 0.300 . 1 . . . . 77 TYR CE2 . 11227 1
849 . 1 1 77 77 TYR N N 15 121.948 0.300 . 1 . . . . 77 TYR N . 11227 1
850 . 1 1 78 78 LEU H H 1 8.609 0.030 . 1 . . . . 78 LEU H . 11227 1
851 . 1 1 78 78 LEU HA H 1 4.914 0.030 . 1 . . . . 78 LEU HA . 11227 1
852 . 1 1 78 78 LEU HB2 H 1 1.060 0.030 . 2 . . . . 78 LEU HB2 . 11227 1
853 . 1 1 78 78 LEU HB3 H 1 0.915 0.030 . 2 . . . . 78 LEU HB3 . 11227 1
854 . 1 1 78 78 LEU HD11 H 1 0.711 0.030 . 1 . . . . 78 LEU HD1 . 11227 1
855 . 1 1 78 78 LEU HD12 H 1 0.711 0.030 . 1 . . . . 78 LEU HD1 . 11227 1
856 . 1 1 78 78 LEU HD13 H 1 0.711 0.030 . 1 . . . . 78 LEU HD1 . 11227 1
857 . 1 1 78 78 LEU HD21 H 1 0.632 0.030 . 1 . . . . 78 LEU HD2 . 11227 1
858 . 1 1 78 78 LEU HD22 H 1 0.632 0.030 . 1 . . . . 78 LEU HD2 . 11227 1
859 . 1 1 78 78 LEU HD23 H 1 0.632 0.030 . 1 . . . . 78 LEU HD2 . 11227 1
860 . 1 1 78 78 LEU HG H 1 1.217 0.030 . 1 . . . . 78 LEU HG . 11227 1
861 . 1 1 78 78 LEU C C 13 176.406 0.300 . 1 . . . . 78 LEU C . 11227 1
862 . 1 1 78 78 LEU CA C 13 53.412 0.300 . 1 . . . . 78 LEU CA . 11227 1
863 . 1 1 78 78 LEU CB C 13 42.972 0.300 . 1 . . . . 78 LEU CB . 11227 1
864 . 1 1 78 78 LEU CD1 C 13 25.091 0.300 . 2 . . . . 78 LEU CD1 . 11227 1
865 . 1 1 78 78 LEU CD2 C 13 23.762 0.300 . 2 . . . . 78 LEU CD2 . 11227 1
866 . 1 1 78 78 LEU CG C 13 27.708 0.300 . 1 . . . . 78 LEU CG . 11227 1
867 . 1 1 78 78 LEU N N 15 122.989 0.300 . 1 . . . . 78 LEU N . 11227 1
868 . 1 1 79 79 VAL H H 1 8.697 0.030 . 1 . . . . 79 VAL H . 11227 1
869 . 1 1 79 79 VAL HA H 1 5.044 0.030 . 1 . . . . 79 VAL HA . 11227 1
870 . 1 1 79 79 VAL HB H 1 1.864 0.030 . 1 . . . . 79 VAL HB . 11227 1
871 . 1 1 79 79 VAL HG11 H 1 0.748 0.030 . 1 . . . . 79 VAL HG1 . 11227 1
872 . 1 1 79 79 VAL HG12 H 1 0.748 0.030 . 1 . . . . 79 VAL HG1 . 11227 1
873 . 1 1 79 79 VAL HG13 H 1 0.748 0.030 . 1 . . . . 79 VAL HG1 . 11227 1
874 . 1 1 79 79 VAL HG21 H 1 0.757 0.030 . 1 . . . . 79 VAL HG2 . 11227 1
875 . 1 1 79 79 VAL HG22 H 1 0.757 0.030 . 1 . . . . 79 VAL HG2 . 11227 1
876 . 1 1 79 79 VAL HG23 H 1 0.757 0.030 . 1 . . . . 79 VAL HG2 . 11227 1
877 . 1 1 79 79 VAL C C 13 174.877 0.300 . 1 . . . . 79 VAL C . 11227 1
878 . 1 1 79 79 VAL CA C 13 60.472 0.300 . 1 . . . . 79 VAL CA . 11227 1
879 . 1 1 79 79 VAL CB C 13 35.410 0.300 . 1 . . . . 79 VAL CB . 11227 1
880 . 1 1 79 79 VAL CG1 C 13 21.583 0.300 . 2 . . . . 79 VAL CG1 . 11227 1
881 . 1 1 79 79 VAL CG2 C 13 20.564 0.300 . 2 . . . . 79 VAL CG2 . 11227 1
882 . 1 1 79 79 VAL N N 15 121.754 0.300 . 1 . . . . 79 VAL N . 11227 1
883 . 1 1 80 80 GLN H H 1 9.066 0.030 . 1 . . . . 80 GLN H . 11227 1
884 . 1 1 80 80 GLN HA H 1 4.896 0.030 . 1 . . . . 80 GLN HA . 11227 1
885 . 1 1 80 80 GLN HB2 H 1 1.519 0.030 . 2 . . . . 80 GLN HB2 . 11227 1
886 . 1 1 80 80 GLN HB3 H 1 2.097 0.030 . 2 . . . . 80 GLN HB3 . 11227 1
887 . 1 1 80 80 GLN HE21 H 1 7.770 0.030 . 2 . . . . 80 GLN HE21 . 11227 1
888 . 1 1 80 80 GLN HE22 H 1 6.887 0.030 . 2 . . . . 80 GLN HE22 . 11227 1
889 . 1 1 80 80 GLN HG2 H 1 2.273 0.030 . 2 . . . . 80 GLN HG2 . 11227 1
890 . 1 1 80 80 GLN HG3 H 1 1.994 0.030 . 2 . . . . 80 GLN HG3 . 11227 1
891 . 1 1 80 80 GLN C C 13 173.935 0.300 . 1 . . . . 80 GLN C . 11227 1
892 . 1 1 80 80 GLN CA C 13 54.483 0.300 . 1 . . . . 80 GLN CA . 11227 1
893 . 1 1 80 80 GLN CB C 13 35.781 0.300 . 1 . . . . 80 GLN CB . 11227 1
894 . 1 1 80 80 GLN CG C 13 35.829 0.300 . 1 . . . . 80 GLN CG . 11227 1
895 . 1 1 80 80 GLN N N 15 122.741 0.300 . 1 . . . . 80 GLN N . 11227 1
896 . 1 1 80 80 GLN NE2 N 15 112.893 0.300 . 1 . . . . 80 GLN NE2 . 11227 1
897 . 1 1 81 81 VAL H H 1 8.815 0.030 . 1 . . . . 81 VAL H . 11227 1
898 . 1 1 81 81 VAL HA H 1 5.246 0.030 . 1 . . . . 81 VAL HA . 11227 1
899 . 1 1 81 81 VAL HB H 1 1.087 0.030 . 1 . . . . 81 VAL HB . 11227 1
900 . 1 1 81 81 VAL HG11 H 1 -0.193 0.030 . 1 . . . . 81 VAL HG1 . 11227 1
901 . 1 1 81 81 VAL HG12 H 1 -0.193 0.030 . 1 . . . . 81 VAL HG1 . 11227 1
902 . 1 1 81 81 VAL HG13 H 1 -0.193 0.030 . 1 . . . . 81 VAL HG1 . 11227 1
903 . 1 1 81 81 VAL HG21 H 1 0.078 0.030 . 1 . . . . 81 VAL HG2 . 11227 1
904 . 1 1 81 81 VAL HG22 H 1 0.078 0.030 . 1 . . . . 81 VAL HG2 . 11227 1
905 . 1 1 81 81 VAL HG23 H 1 0.078 0.030 . 1 . . . . 81 VAL HG2 . 11227 1
906 . 1 1 81 81 VAL C C 13 174.548 0.300 . 1 . . . . 81 VAL C . 11227 1
907 . 1 1 81 81 VAL CA C 13 60.948 0.300 . 1 . . . . 81 VAL CA . 11227 1
908 . 1 1 81 81 VAL CB C 13 35.198 0.300 . 1 . . . . 81 VAL CB . 11227 1
909 . 1 1 81 81 VAL CG1 C 13 20.762 0.300 . 2 . . . . 81 VAL CG1 . 11227 1
910 . 1 1 81 81 VAL CG2 C 13 21.035 0.300 . 2 . . . . 81 VAL CG2 . 11227 1
911 . 1 1 81 81 VAL N N 15 120.372 0.300 . 1 . . . . 81 VAL N . 11227 1
912 . 1 1 82 82 ARG H H 1 9.028 0.030 . 1 . . . . 82 ARG H . 11227 1
913 . 1 1 82 82 ARG HA H 1 5.035 0.030 . 1 . . . . 82 ARG HA . 11227 1
914 . 1 1 82 82 ARG HB2 H 1 1.482 0.030 . 2 . . . . 82 ARG HB2 . 11227 1
915 . 1 1 82 82 ARG HB3 H 1 0.583 0.030 . 2 . . . . 82 ARG HB3 . 11227 1
916 . 1 1 82 82 ARG HD2 H 1 2.425 0.030 . 2 . . . . 82 ARG HD2 . 11227 1
917 . 1 1 82 82 ARG HD3 H 1 0.899 0.030 . 2 . . . . 82 ARG HD3 . 11227 1
918 . 1 1 82 82 ARG HE H 1 6.141 0.030 . 1 . . . . 82 ARG HE . 11227 1
919 . 1 1 82 82 ARG HG2 H 1 1.126 0.030 . 2 . . . . 82 ARG HG2 . 11227 1
920 . 1 1 82 82 ARG HG3 H 1 1.086 0.030 . 2 . . . . 82 ARG HG3 . 11227 1
921 . 1 1 82 82 ARG C C 13 173.228 0.300 . 1 . . . . 82 ARG C . 11227 1
922 . 1 1 82 82 ARG CA C 13 53.427 0.300 . 1 . . . . 82 ARG CA . 11227 1
923 . 1 1 82 82 ARG CB C 13 33.773 0.300 . 1 . . . . 82 ARG CB . 11227 1
924 . 1 1 82 82 ARG CD C 13 43.644 0.300 . 1 . . . . 82 ARG CD . 11227 1
925 . 1 1 82 82 ARG CG C 13 25.208 0.300 . 1 . . . . 82 ARG CG . 11227 1
926 . 1 1 82 82 ARG N N 15 122.706 0.300 . 1 . . . . 82 ARG N . 11227 1
927 . 1 1 82 82 ARG NE N 15 83.726 0.300 . 1 . . . . 82 ARG NE . 11227 1
928 . 1 1 83 83 ALA H H 1 9.562 0.030 . 1 . . . . 83 ALA H . 11227 1
929 . 1 1 83 83 ALA HA H 1 5.045 0.030 . 1 . . . . 83 ALA HA . 11227 1
930 . 1 1 83 83 ALA HB1 H 1 1.321 0.030 . 1 . . . . 83 ALA HB . 11227 1
931 . 1 1 83 83 ALA HB2 H 1 1.321 0.030 . 1 . . . . 83 ALA HB . 11227 1
932 . 1 1 83 83 ALA HB3 H 1 1.321 0.030 . 1 . . . . 83 ALA HB . 11227 1
933 . 1 1 83 83 ALA C C 13 174.341 0.300 . 1 . . . . 83 ALA C . 11227 1
934 . 1 1 83 83 ALA CA C 13 49.986 0.300 . 1 . . . . 83 ALA CA . 11227 1
935 . 1 1 83 83 ALA CB C 13 23.456 0.300 . 1 . . . . 83 ALA CB . 11227 1
936 . 1 1 83 83 ALA N N 15 124.486 0.300 . 1 . . . . 83 ALA N . 11227 1
937 . 1 1 84 84 ARG H H 1 8.667 0.030 . 1 . . . . 84 ARG H . 11227 1
938 . 1 1 84 84 ARG HA H 1 4.549 0.030 . 1 . . . . 84 ARG HA . 11227 1
939 . 1 1 84 84 ARG HB2 H 1 1.709 0.030 . 2 . . . . 84 ARG HB2 . 11227 1
940 . 1 1 84 84 ARG HB3 H 1 0.808 0.030 . 2 . . . . 84 ARG HB3 . 11227 1
941 . 1 1 84 84 ARG HD2 H 1 2.864 0.030 . 2 . . . . 84 ARG HD2 . 11227 1
942 . 1 1 84 84 ARG HD3 H 1 2.051 0.030 . 2 . . . . 84 ARG HD3 . 11227 1
943 . 1 1 84 84 ARG HE H 1 8.843 0.030 . 1 . . . . 84 ARG HE . 11227 1
944 . 1 1 84 84 ARG HG2 H 1 1.095 0.030 . 2 . . . . 84 ARG HG2 . 11227 1
945 . 1 1 84 84 ARG HG3 H 1 0.222 0.030 . 2 . . . . 84 ARG HG3 . 11227 1
946 . 1 1 84 84 ARG C C 13 174.989 0.300 . 1 . . . . 84 ARG C . 11227 1
947 . 1 1 84 84 ARG CA C 13 55.193 0.300 . 1 . . . . 84 ARG CA . 11227 1
948 . 1 1 84 84 ARG CB C 13 34.435 0.300 . 1 . . . . 84 ARG CB . 11227 1
949 . 1 1 84 84 ARG CD C 13 42.583 0.300 . 1 . . . . 84 ARG CD . 11227 1
950 . 1 1 84 84 ARG CG C 13 28.441 0.300 . 1 . . . . 84 ARG CG . 11227 1
951 . 1 1 84 84 ARG N N 15 122.072 0.300 . 1 . . . . 84 ARG N . 11227 1
952 . 1 1 84 84 ARG NE N 15 85.108 0.300 . 1 . . . . 84 ARG NE . 11227 1
953 . 1 1 85 85 SER H H 1 8.476 0.030 . 1 . . . . 85 SER H . 11227 1
954 . 1 1 85 85 SER HA H 1 5.063 0.030 . 1 . . . . 85 SER HA . 11227 1
955 . 1 1 85 85 SER HB2 H 1 4.328 0.030 . 2 . . . . 85 SER HB2 . 11227 1
956 . 1 1 85 85 SER HB3 H 1 3.486 0.030 . 2 . . . . 85 SER HB3 . 11227 1
957 . 1 1 85 85 SER C C 13 175.200 0.300 . 1 . . . . 85 SER C . 11227 1
958 . 1 1 85 85 SER CA C 13 55.847 0.300 . 1 . . . . 85 SER CA . 11227 1
959 . 1 1 85 85 SER CB C 13 67.488 0.300 . 1 . . . . 85 SER CB . 11227 1
960 . 1 1 85 85 SER N N 15 122.839 0.300 . 1 . . . . 85 SER N . 11227 1
961 . 1 1 86 86 GLU H H 1 9.634 0.030 . 1 . . . . 86 GLU H . 11227 1
962 . 1 1 86 86 GLU HA H 1 3.921 0.030 . 1 . . . . 86 GLU HA . 11227 1
963 . 1 1 86 86 GLU HB2 H 1 2.039 0.030 . 1 . . . . 86 GLU HB2 . 11227 1
964 . 1 1 86 86 GLU HB3 H 1 2.039 0.030 . 1 . . . . 86 GLU HB3 . 11227 1
965 . 1 1 86 86 GLU HG2 H 1 2.315 0.030 . 1 . . . . 86 GLU HG2 . 11227 1
966 . 1 1 86 86 GLU HG3 H 1 2.315 0.030 . 1 . . . . 86 GLU HG3 . 11227 1
967 . 1 1 86 86 GLU C C 13 176.835 0.300 . 1 . . . . 86 GLU C . 11227 1
968 . 1 1 86 86 GLU CA C 13 59.560 0.300 . 1 . . . . 86 GLU CA . 11227 1
969 . 1 1 86 86 GLU CB C 13 29.011 0.300 . 1 . . . . 86 GLU CB . 11227 1
970 . 1 1 86 86 GLU CG C 13 36.254 0.300 . 1 . . . . 86 GLU CG . 11227 1
971 . 1 1 86 86 GLU N N 15 121.692 0.300 . 1 . . . . 86 GLU N . 11227 1
972 . 1 1 87 87 ALA H H 1 7.808 0.030 . 1 . . . . 87 ALA H . 11227 1
973 . 1 1 87 87 ALA HA H 1 4.235 0.030 . 1 . . . . 87 ALA HA . 11227 1
974 . 1 1 87 87 ALA HB1 H 1 1.203 0.030 . 1 . . . . 87 ALA HB . 11227 1
975 . 1 1 87 87 ALA HB2 H 1 1.203 0.030 . 1 . . . . 87 ALA HB . 11227 1
976 . 1 1 87 87 ALA HB3 H 1 1.203 0.030 . 1 . . . . 87 ALA HB . 11227 1
977 . 1 1 87 87 ALA C C 13 177.119 0.300 . 1 . . . . 87 ALA C . 11227 1
978 . 1 1 87 87 ALA CA C 13 52.597 0.300 . 1 . . . . 87 ALA CA . 11227 1
979 . 1 1 87 87 ALA CB C 13 19.505 0.300 . 1 . . . . 87 ALA CB . 11227 1
980 . 1 1 87 87 ALA N N 15 118.874 0.300 . 1 . . . . 87 ALA N . 11227 1
981 . 1 1 88 88 GLY H H 1 7.388 0.030 . 1 . . . . 88 GLY H . 11227 1
982 . 1 1 88 88 GLY HA2 H 1 4.526 0.030 . 2 . . . . 88 GLY HA2 . 11227 1
983 . 1 1 88 88 GLY HA3 H 1 3.609 0.030 . 2 . . . . 88 GLY HA3 . 11227 1
984 . 1 1 88 88 GLY C C 13 173.151 0.300 . 1 . . . . 88 GLY C . 11227 1
985 . 1 1 88 88 GLY CA C 13 43.683 0.300 . 1 . . . . 88 GLY CA . 11227 1
986 . 1 1 88 88 GLY N N 15 105.885 0.300 . 1 . . . . 88 GLY N . 11227 1
987 . 1 1 89 89 TYR H H 1 8.540 0.030 . 1 . . . . 89 TYR H . 11227 1
988 . 1 1 89 89 TYR HA H 1 4.966 0.030 . 1 . . . . 89 TYR HA . 11227 1
989 . 1 1 89 89 TYR HB2 H 1 3.163 0.030 . 2 . . . . 89 TYR HB2 . 11227 1
990 . 1 1 89 89 TYR HB3 H 1 2.633 0.030 . 2 . . . . 89 TYR HB3 . 11227 1
991 . 1 1 89 89 TYR HD1 H 1 6.864 0.030 . 1 . . . . 89 TYR HD1 . 11227 1
992 . 1 1 89 89 TYR HD2 H 1 6.864 0.030 . 1 . . . . 89 TYR HD2 . 11227 1
993 . 1 1 89 89 TYR HE1 H 1 6.582 0.030 . 1 . . . . 89 TYR HE1 . 11227 1
994 . 1 1 89 89 TYR HE2 H 1 6.582 0.030 . 1 . . . . 89 TYR HE2 . 11227 1
995 . 1 1 89 89 TYR C C 13 179.382 0.300 . 1 . . . . 89 TYR C . 11227 1
996 . 1 1 89 89 TYR CA C 13 59.659 0.300 . 1 . . . . 89 TYR CA . 11227 1
997 . 1 1 89 89 TYR CB C 13 40.850 0.300 . 1 . . . . 89 TYR CB . 11227 1
998 . 1 1 89 89 TYR CD1 C 13 132.622 0.300 . 1 . . . . 89 TYR CD1 . 11227 1
999 . 1 1 89 89 TYR CD2 C 13 132.622 0.300 . 1 . . . . 89 TYR CD2 . 11227 1
1000 . 1 1 89 89 TYR CE1 C 13 118.499 0.300 . 1 . . . . 89 TYR CE1 . 11227 1
1001 . 1 1 89 89 TYR CE2 C 13 118.499 0.300 . 1 . . . . 89 TYR CE2 . 11227 1
1002 . 1 1 89 89 TYR N N 15 117.227 0.300 . 1 . . . . 89 TYR N . 11227 1
1003 . 1 1 90 90 GLY H H 1 8.930 0.030 . 1 . . . . 90 GLY H . 11227 1
1004 . 1 1 90 90 GLY HA2 H 1 4.189 0.030 . 2 . . . . 90 GLY HA2 . 11227 1
1005 . 1 1 90 90 GLY HA3 H 1 4.410 0.030 . 2 . . . . 90 GLY HA3 . 11227 1
1006 . 1 1 90 90 GLY C C 13 171.909 0.300 . 1 . . . . 90 GLY C . 11227 1
1007 . 1 1 90 90 GLY CA C 13 44.089 0.300 . 1 . . . . 90 GLY CA . 11227 1
1008 . 1 1 90 90 GLY N N 15 110.008 0.300 . 1 . . . . 90 GLY N . 11227 1
1009 . 1 1 91 91 PRO HA H 1 4.494 0.030 . 1 . . . . 91 PRO HA . 11227 1
1010 . 1 1 91 91 PRO HB2 H 1 2.351 0.030 . 2 . . . . 91 PRO HB2 . 11227 1
1011 . 1 1 91 91 PRO HB3 H 1 1.985 0.030 . 2 . . . . 91 PRO HB3 . 11227 1
1012 . 1 1 91 91 PRO HD2 H 1 3.607 0.030 . 1 . . . . 91 PRO HD2 . 11227 1
1013 . 1 1 91 91 PRO HD3 H 1 3.607 0.030 . 1 . . . . 91 PRO HD3 . 11227 1
1014 . 1 1 91 91 PRO HG2 H 1 2.085 0.030 . 2 . . . . 91 PRO HG2 . 11227 1
1015 . 1 1 91 91 PRO HG3 H 1 1.892 0.030 . 2 . . . . 91 PRO HG3 . 11227 1
1016 . 1 1 91 91 PRO C C 13 179.001 0.300 . 1 . . . . 91 PRO C . 11227 1
1017 . 1 1 91 91 PRO CA C 13 62.019 0.300 . 1 . . . . 91 PRO CA . 11227 1
1018 . 1 1 91 91 PRO CB C 13 32.195 0.300 . 1 . . . . 91 PRO CB . 11227 1
1019 . 1 1 91 91 PRO CD C 13 49.214 0.300 . 1 . . . . 91 PRO CD . 11227 1
1020 . 1 1 91 91 PRO CG C 13 26.862 0.300 . 1 . . . . 91 PRO CG . 11227 1
1021 . 1 1 92 92 PHE H H 1 8.602 0.030 . 1 . . . . 92 PHE H . 11227 1
1022 . 1 1 92 92 PHE HA H 1 4.556 0.030 . 1 . . . . 92 PHE HA . 11227 1
1023 . 1 1 92 92 PHE HB2 H 1 3.122 0.030 . 2 . . . . 92 PHE HB2 . 11227 1
1024 . 1 1 92 92 PHE HB3 H 1 2.846 0.030 . 2 . . . . 92 PHE HB3 . 11227 1
1025 . 1 1 92 92 PHE HD1 H 1 7.154 0.030 . 1 . . . . 92 PHE HD1 . 11227 1
1026 . 1 1 92 92 PHE HD2 H 1 7.154 0.030 . 1 . . . . 92 PHE HD2 . 11227 1
1027 . 1 1 92 92 PHE HE1 H 1 7.307 0.030 . 1 . . . . 92 PHE HE1 . 11227 1
1028 . 1 1 92 92 PHE HE2 H 1 7.307 0.030 . 1 . . . . 92 PHE HE2 . 11227 1
1029 . 1 1 92 92 PHE HZ H 1 7.296 0.030 . 1 . . . . 92 PHE HZ . 11227 1
1030 . 1 1 92 92 PHE C C 13 178.040 0.300 . 1 . . . . 92 PHE C . 11227 1
1031 . 1 1 92 92 PHE CA C 13 59.948 0.300 . 1 . . . . 92 PHE CA . 11227 1
1032 . 1 1 92 92 PHE CB C 13 40.355 0.300 . 1 . . . . 92 PHE CB . 11227 1
1033 . 1 1 92 92 PHE CD1 C 13 131.836 0.300 . 1 . . . . 92 PHE CD1 . 11227 1
1034 . 1 1 92 92 PHE CD2 C 13 131.836 0.300 . 1 . . . . 92 PHE CD2 . 11227 1
1035 . 1 1 92 92 PHE CE1 C 13 131.689 0.300 . 1 . . . . 92 PHE CE1 . 11227 1
1036 . 1 1 92 92 PHE CE2 C 13 131.689 0.300 . 1 . . . . 92 PHE CE2 . 11227 1
1037 . 1 1 92 92 PHE CZ C 13 129.538 0.300 . 1 . . . . 92 PHE CZ . 11227 1
1038 . 1 1 92 92 PHE N N 15 118.759 0.300 . 1 . . . . 92 PHE N . 11227 1
1039 . 1 1 93 93 GLY H H 1 8.238 0.030 . 1 . . . . 93 GLY H . 11227 1
1040 . 1 1 93 93 GLY HA2 H 1 4.392 0.030 . 2 . . . . 93 GLY HA2 . 11227 1
1041 . 1 1 93 93 GLY HA3 H 1 4.151 0.030 . 2 . . . . 93 GLY HA3 . 11227 1
1042 . 1 1 93 93 GLY C C 13 173.145 0.300 . 1 . . . . 93 GLY C . 11227 1
1043 . 1 1 93 93 GLY CA C 13 44.458 0.300 . 1 . . . . 93 GLY CA . 11227 1
1044 . 1 1 93 93 GLY N N 15 108.462 0.300 . 1 . . . . 93 GLY N . 11227 1
1045 . 1 1 94 94 GLN H H 1 8.398 0.030 . 1 . . . . 94 GLN H . 11227 1
1046 . 1 1 94 94 GLN HA H 1 4.315 0.030 . 1 . . . . 94 GLN HA . 11227 1
1047 . 1 1 94 94 GLN HB2 H 1 2.115 0.030 . 1 . . . . 94 GLN HB2 . 11227 1
1048 . 1 1 94 94 GLN HB3 H 1 2.115 0.030 . 1 . . . . 94 GLN HB3 . 11227 1
1049 . 1 1 94 94 GLN HE21 H 1 7.598 0.030 . 2 . . . . 94 GLN HE21 . 11227 1
1050 . 1 1 94 94 GLN HE22 H 1 6.950 0.030 . 2 . . . . 94 GLN HE22 . 11227 1
1051 . 1 1 94 94 GLN HG2 H 1 2.459 0.030 . 1 . . . . 94 GLN HG2 . 11227 1
1052 . 1 1 94 94 GLN HG3 H 1 2.459 0.030 . 1 . . . . 94 GLN HG3 . 11227 1
1053 . 1 1 94 94 GLN C C 13 176.520 0.300 . 1 . . . . 94 GLN C . 11227 1
1054 . 1 1 94 94 GLN CA C 13 55.787 0.300 . 1 . . . . 94 GLN CA . 11227 1
1055 . 1 1 94 94 GLN CB C 13 30.198 0.300 . 1 . . . . 94 GLN CB . 11227 1
1056 . 1 1 94 94 GLN CG C 13 33.700 0.300 . 1 . . . . 94 GLN CG . 11227 1
1057 . 1 1 94 94 GLN N N 15 118.843 0.300 . 1 . . . . 94 GLN N . 11227 1
1058 . 1 1 94 94 GLN NE2 N 15 112.519 0.300 . 1 . . . . 94 GLN NE2 . 11227 1
1059 . 1 1 95 95 GLU H H 1 8.870 0.030 . 1 . . . . 95 GLU H . 11227 1
1060 . 1 1 95 95 GLU HA H 1 4.355 0.030 . 1 . . . . 95 GLU HA . 11227 1
1061 . 1 1 95 95 GLU HB2 H 1 1.899 0.030 . 2 . . . . 95 GLU HB2 . 11227 1
1062 . 1 1 95 95 GLU HB3 H 1 1.832 0.030 . 2 . . . . 95 GLU HB3 . 11227 1
1063 . 1 1 95 95 GLU HG2 H 1 2.206 0.030 . 2 . . . . 95 GLU HG2 . 11227 1
1064 . 1 1 95 95 GLU HG3 H 1 2.034 0.030 . 2 . . . . 95 GLU HG3 . 11227 1
1065 . 1 1 95 95 GLU C C 13 175.855 0.300 . 1 . . . . 95 GLU C . 11227 1
1066 . 1 1 95 95 GLU CA C 13 56.777 0.300 . 1 . . . . 95 GLU CA . 11227 1
1067 . 1 1 95 95 GLU CB C 13 30.853 0.300 . 1 . . . . 95 GLU CB . 11227 1
1068 . 1 1 95 95 GLU CG C 13 36.832 0.300 . 1 . . . . 95 GLU CG . 11227 1
1069 . 1 1 95 95 GLU N N 15 123.213 0.300 . 1 . . . . 95 GLU N . 11227 1
1070 . 1 1 96 96 HIS H H 1 9.345 0.030 . 1 . . . . 96 HIS H . 11227 1
1071 . 1 1 96 96 HIS HA H 1 4.794 0.030 . 1 . . . . 96 HIS HA . 11227 1
1072 . 1 1 96 96 HIS HB2 H 1 3.025 0.030 . 2 . . . . 96 HIS HB2 . 11227 1
1073 . 1 1 96 96 HIS HB3 H 1 2.934 0.030 . 2 . . . . 96 HIS HB3 . 11227 1
1074 . 1 1 96 96 HIS HD2 H 1 6.809 0.030 . 1 . . . . 96 HIS HD2 . 11227 1
1075 . 1 1 96 96 HIS HE1 H 1 7.872 0.030 . 1 . . . . 96 HIS HE1 . 11227 1
1076 . 1 1 96 96 HIS C C 13 174.594 0.300 . 1 . . . . 96 HIS C . 11227 1
1077 . 1 1 96 96 HIS CA C 13 56.310 0.300 . 1 . . . . 96 HIS CA . 11227 1
1078 . 1 1 96 96 HIS CB C 13 32.433 0.300 . 1 . . . . 96 HIS CB . 11227 1
1079 . 1 1 96 96 HIS CD2 C 13 123.234 0.300 . 1 . . . . 96 HIS CD2 . 11227 1
1080 . 1 1 96 96 HIS CE1 C 13 138.680 0.300 . 1 . . . . 96 HIS CE1 . 11227 1
1081 . 1 1 96 96 HIS N N 15 125.362 0.300 . 1 . . . . 96 HIS N . 11227 1
1082 . 1 1 97 97 HIS HA H 1 5.070 0.030 . 1 . . . . 97 HIS HA . 11227 1
1083 . 1 1 97 97 HIS HB2 H 1 3.024 0.030 . 2 . . . . 97 HIS HB2 . 11227 1
1084 . 1 1 97 97 HIS HB3 H 1 2.981 0.030 . 2 . . . . 97 HIS HB3 . 11227 1
1085 . 1 1 97 97 HIS HD2 H 1 6.863 0.030 . 1 . . . . 97 HIS HD2 . 11227 1
1086 . 1 1 97 97 HIS HE1 H 1 7.743 0.030 . 1 . . . . 97 HIS HE1 . 11227 1
1087 . 1 1 97 97 HIS CA C 13 55.537 0.300 . 1 . . . . 97 HIS CA . 11227 1
1088 . 1 1 97 97 HIS CB C 13 31.410 0.300 . 1 . . . . 97 HIS CB . 11227 1
1089 . 1 1 97 97 HIS CD2 C 13 120.229 0.300 . 1 . . . . 97 HIS CD2 . 11227 1
1090 . 1 1 97 97 HIS CE1 C 13 137.780 0.300 . 1 . . . . 97 HIS CE1 . 11227 1
1091 . 1 1 98 98 SER H H 1 8.801 0.030 . 1 . . . . 98 SER H . 11227 1
1092 . 1 1 98 98 SER HA H 1 4.568 0.030 . 1 . . . . 98 SER HA . 11227 1
1093 . 1 1 98 98 SER HB2 H 1 3.777 0.030 . 2 . . . . 98 SER HB2 . 11227 1
1094 . 1 1 98 98 SER HB3 H 1 3.694 0.030 . 2 . . . . 98 SER HB3 . 11227 1
1095 . 1 1 98 98 SER C C 13 173.228 0.300 . 1 . . . . 98 SER C . 11227 1
1096 . 1 1 98 98 SER CA C 13 58.121 0.300 . 1 . . . . 98 SER CA . 11227 1
1097 . 1 1 98 98 SER CB C 13 65.594 0.300 . 1 . . . . 98 SER CB . 11227 1
1098 . 1 1 98 98 SER N N 15 119.679 0.300 . 1 . . . . 98 SER N . 11227 1
1099 . 1 1 99 99 GLN H H 1 8.569 0.030 . 1 . . . . 99 GLN H . 11227 1
1100 . 1 1 99 99 GLN HA H 1 5.187 0.030 . 1 . . . . 99 GLN HA . 11227 1
1101 . 1 1 99 99 GLN HB2 H 1 2.105 0.030 . 2 . . . . 99 GLN HB2 . 11227 1
1102 . 1 1 99 99 GLN HB3 H 1 1.948 0.030 . 2 . . . . 99 GLN HB3 . 11227 1
1103 . 1 1 99 99 GLN HE21 H 1 7.439 0.030 . 2 . . . . 99 GLN HE21 . 11227 1
1104 . 1 1 99 99 GLN HE22 H 1 6.807 0.030 . 2 . . . . 99 GLN HE22 . 11227 1
1105 . 1 1 99 99 GLN HG2 H 1 2.460 0.030 . 2 . . . . 99 GLN HG2 . 11227 1
1106 . 1 1 99 99 GLN HG3 H 1 2.258 0.030 . 2 . . . . 99 GLN HG3 . 11227 1
1107 . 1 1 99 99 GLN C C 13 176.486 0.300 . 1 . . . . 99 GLN C . 11227 1
1108 . 1 1 99 99 GLN CA C 13 55.045 0.300 . 1 . . . . 99 GLN CA . 11227 1
1109 . 1 1 99 99 GLN CB C 13 31.479 0.300 . 1 . . . . 99 GLN CB . 11227 1
1110 . 1 1 99 99 GLN CG C 13 33.700 0.300 . 1 . . . . 99 GLN CG . 11227 1
1111 . 1 1 99 99 GLN N N 15 122.123 0.300 . 1 . . . . 99 GLN N . 11227 1
1112 . 1 1 99 99 GLN NE2 N 15 111.885 0.300 . 1 . . . . 99 GLN NE2 . 11227 1
1113 . 1 1 100 100 THR H H 1 8.472 0.030 . 1 . . . . 100 THR H . 11227 1
1114 . 1 1 100 100 THR HA H 1 4.335 0.030 . 1 . . . . 100 THR HA . 11227 1
1115 . 1 1 100 100 THR HB H 1 4.649 0.030 . 1 . . . . 100 THR HB . 11227 1
1116 . 1 1 100 100 THR HG21 H 1 1.166 0.030 . 1 . . . . 100 THR HG2 . 11227 1
1117 . 1 1 100 100 THR HG22 H 1 1.166 0.030 . 1 . . . . 100 THR HG2 . 11227 1
1118 . 1 1 100 100 THR HG23 H 1 1.166 0.030 . 1 . . . . 100 THR HG2 . 11227 1
1119 . 1 1 100 100 THR C C 13 174.696 0.300 . 1 . . . . 100 THR C . 11227 1
1120 . 1 1 100 100 THR CA C 13 61.491 0.300 . 1 . . . . 100 THR CA . 11227 1
1121 . 1 1 100 100 THR CB C 13 69.537 0.300 . 1 . . . . 100 THR CB . 11227 1
1122 . 1 1 100 100 THR CG2 C 13 23.307 0.300 . 1 . . . . 100 THR CG2 . 11227 1
1123 . 1 1 100 100 THR N N 15 114.686 0.300 . 1 . . . . 100 THR N . 11227 1
1124 . 1 1 101 101 GLN HA H 1 4.249 0.030 . 1 . . . . 101 GLN HA . 11227 1
1125 . 1 1 101 101 GLN HB2 H 1 2.075 0.030 . 2 . . . . 101 GLN HB2 . 11227 1
1126 . 1 1 101 101 GLN HB3 H 1 1.658 0.030 . 2 . . . . 101 GLN HB3 . 11227 1
1127 . 1 1 101 101 GLN HE21 H 1 7.502 0.030 . 2 . . . . 101 GLN HE21 . 11227 1
1128 . 1 1 101 101 GLN HE22 H 1 6.811 0.030 . 2 . . . . 101 GLN HE22 . 11227 1
1129 . 1 1 101 101 GLN HG2 H 1 2.337 0.030 . 1 . . . . 101 GLN HG2 . 11227 1
1130 . 1 1 101 101 GLN HG3 H 1 2.337 0.030 . 1 . . . . 101 GLN HG3 . 11227 1
1131 . 1 1 101 101 GLN C C 13 175.607 0.300 . 1 . . . . 101 GLN C . 11227 1
1132 . 1 1 101 101 GLN CA C 13 55.847 0.300 . 1 . . . . 101 GLN CA . 11227 1
1133 . 1 1 101 101 GLN CB C 13 30.035 0.300 . 1 . . . . 101 GLN CB . 11227 1
1134 . 1 1 101 101 GLN CG C 13 33.698 0.300 . 1 . . . . 101 GLN CG . 11227 1
1135 . 1 1 101 101 GLN NE2 N 15 112.203 0.300 . 1 . . . . 101 GLN NE2 . 11227 1
1136 . 1 1 102 102 LEU H H 1 8.321 0.030 . 1 . . . . 102 LEU H . 11227 1
1137 . 1 1 102 102 LEU HA H 1 4.297 0.030 . 1 . . . . 102 LEU HA . 11227 1
1138 . 1 1 102 102 LEU HB2 H 1 1.626 0.030 . 1 . . . . 102 LEU HB2 . 11227 1
1139 . 1 1 102 102 LEU HB3 H 1 1.626 0.030 . 1 . . . . 102 LEU HB3 . 11227 1
1140 . 1 1 102 102 LEU HD11 H 1 0.928 0.030 . 1 . . . . 102 LEU HD1 . 11227 1
1141 . 1 1 102 102 LEU HD12 H 1 0.928 0.030 . 1 . . . . 102 LEU HD1 . 11227 1
1142 . 1 1 102 102 LEU HD13 H 1 0.928 0.030 . 1 . . . . 102 LEU HD1 . 11227 1
1143 . 1 1 102 102 LEU HD21 H 1 0.882 0.030 . 1 . . . . 102 LEU HD2 . 11227 1
1144 . 1 1 102 102 LEU HD22 H 1 0.882 0.030 . 1 . . . . 102 LEU HD2 . 11227 1
1145 . 1 1 102 102 LEU HD23 H 1 0.882 0.030 . 1 . . . . 102 LEU HD2 . 11227 1
1146 . 1 1 102 102 LEU HG H 1 1.634 0.030 . 1 . . . . 102 LEU HG . 11227 1
1147 . 1 1 102 102 LEU C C 13 177.067 0.300 . 1 . . . . 102 LEU C . 11227 1
1148 . 1 1 102 102 LEU CA C 13 55.577 0.300 . 1 . . . . 102 LEU CA . 11227 1
1149 . 1 1 102 102 LEU CB C 13 42.851 0.300 . 1 . . . . 102 LEU CB . 11227 1
1150 . 1 1 102 102 LEU CD1 C 13 24.757 0.300 . 2 . . . . 102 LEU CD1 . 11227 1
1151 . 1 1 102 102 LEU CD2 C 13 23.935 0.300 . 2 . . . . 102 LEU CD2 . 11227 1
1152 . 1 1 102 102 LEU CG C 13 27.162 0.300 . 1 . . . . 102 LEU CG . 11227 1
1153 . 1 1 102 102 LEU N N 15 122.170 0.300 . 1 . . . . 102 LEU N . 11227 1
1154 . 1 1 103 103 ASP H H 1 8.241 0.030 . 1 . . . . 103 ASP H . 11227 1
1155 . 1 1 103 103 ASP HA H 1 4.665 0.030 . 1 . . . . 103 ASP HA . 11227 1
1156 . 1 1 103 103 ASP HB2 H 1 2.730 0.030 . 2 . . . . 103 ASP HB2 . 11227 1
1157 . 1 1 103 103 ASP HB3 H 1 2.645 0.030 . 2 . . . . 103 ASP HB3 . 11227 1
1158 . 1 1 103 103 ASP C C 13 175.881 0.300 . 1 . . . . 103 ASP C . 11227 1
1159 . 1 1 103 103 ASP CA C 13 54.070 0.300 . 1 . . . . 103 ASP CA . 11227 1
1160 . 1 1 103 103 ASP CB C 13 41.821 0.300 . 1 . . . . 103 ASP CB . 11227 1
1161 . 1 1 103 103 ASP N N 15 119.859 0.300 . 1 . . . . 103 ASP N . 11227 1
1162 . 1 1 104 104 SER H H 1 8.338 0.030 . 1 . . . . 104 SER H . 11227 1
1163 . 1 1 104 104 SER HA H 1 4.478 0.030 . 1 . . . . 104 SER HA . 11227 1
1164 . 1 1 104 104 SER HB2 H 1 3.915 0.030 . 2 . . . . 104 SER HB2 . 11227 1
1165 . 1 1 104 104 SER HB3 H 1 3.879 0.030 . 2 . . . . 104 SER HB3 . 11227 1
1166 . 1 1 104 104 SER C C 13 174.685 0.300 . 1 . . . . 104 SER C . 11227 1
1167 . 1 1 104 104 SER CA C 13 58.319 0.300 . 1 . . . . 104 SER CA . 11227 1
1168 . 1 1 104 104 SER CB C 13 64.072 0.300 . 1 . . . . 104 SER CB . 11227 1
1169 . 1 1 104 104 SER N N 15 115.764 0.300 . 1 . . . . 104 SER N . 11227 1
1170 . 1 1 105 105 GLY H H 1 8.322 0.030 . 1 . . . . 105 GLY H . 11227 1
1171 . 1 1 105 105 GLY HA2 H 1 4.138 0.030 . 1 . . . . 105 GLY HA2 . 11227 1
1172 . 1 1 105 105 GLY HA3 H 1 4.138 0.030 . 1 . . . . 105 GLY HA3 . 11227 1
1173 . 1 1 105 105 GLY C C 13 171.909 0.300 . 1 . . . . 105 GLY C . 11227 1
1174 . 1 1 105 105 GLY CA C 13 44.677 0.300 . 1 . . . . 105 GLY CA . 11227 1
1175 . 1 1 105 105 GLY N N 15 110.796 0.300 . 1 . . . . 105 GLY N . 11227 1
1176 . 1 1 106 106 PRO HA H 1 4.492 0.030 . 1 . . . . 106 PRO HA . 11227 1
1177 . 1 1 106 106 PRO HB2 H 1 2.307 0.030 . 2 . . . . 106 PRO HB2 . 11227 1
1178 . 1 1 106 106 PRO HB3 H 1 2.003 0.030 . 2 . . . . 106 PRO HB3 . 11227 1
1179 . 1 1 106 106 PRO HD2 H 1 3.643 0.030 . 1 . . . . 106 PRO HD2 . 11227 1
1180 . 1 1 106 106 PRO HD3 H 1 3.643 0.030 . 1 . . . . 106 PRO HD3 . 11227 1
1181 . 1 1 106 106 PRO HG2 H 1 2.055 0.030 . 2 . . . . 106 PRO HG2 . 11227 1
1182 . 1 1 106 106 PRO HG3 H 1 1.988 0.030 . 2 . . . . 106 PRO HG3 . 11227 1
1183 . 1 1 106 106 PRO C C 13 177.421 0.300 . 1 . . . . 106 PRO C . 11227 1
1184 . 1 1 106 106 PRO CA C 13 63.216 0.300 . 1 . . . . 106 PRO CA . 11227 1
1185 . 1 1 106 106 PRO CB C 13 32.185 0.300 . 1 . . . . 106 PRO CB . 11227 1
1186 . 1 1 106 106 PRO CD C 13 49.809 0.300 . 1 . . . . 106 PRO CD . 11227 1
1187 . 1 1 106 106 PRO CG C 13 27.304 0.300 . 1 . . . . 106 PRO CG . 11227 1
stop_
save_