data_16463
save_entry_interview
_Entry_interview.Sf_category entry_interview
_Entry_interview.Sf_framecode entry_interview
_Entry_interview.Entry_ID 16463
_Entry_interview.ID 1
_Entry_interview.PDB_deposition no
_Entry_interview.BMRB_deposition yes
_Entry_interview.View_mode BMRB
_Entry_interview.Structural_genomics no
_Entry_interview.Ligands no
_Entry_interview.Non_standard_residues no
_Entry_interview.Constraints no
_Entry_interview.Assigned_chem_shifts yes
_Entry_interview.Coupling_constants no
_Entry_interview.Chem_shift_anisotropy no
_Entry_interview.Heteronucl_NOEs no
_Entry_interview.Heteronucl_T1_relaxation no
_Entry_interview.Heteronucl_T2_relaxation no
_Entry_interview.Heteronucl_T1rho_relaxation no
_Entry_interview.Order_parameters no
_Entry_interview.Residual_dipolar_couplings no
_Entry_interview.H_exchange_rate no
_Entry_interview.H_exchange_protection_factors no
_Entry_interview.Spectral_peak_lists no
_Entry_interview.Dipole_dipole_couplings no
_Entry_interview.Quadrupolar_couplings no
_Entry_interview.Homonucl_NOEs no
_Entry_interview.Dipole_dipole_relaxation no
_Entry_interview.DD_cross_correlation no
_Entry_interview.Dipole_CSA_cross_correlation no
_Entry_interview.PKa_value_data_set no
_Entry_interview.D_H_fractionation_factors no
_Entry_interview.Theoretical_chem_shifts no
_Entry_interview.Spectral_density_values no
_Entry_interview.Timedomain_data no
_Entry_interview.Molecular_interactions no
_Entry_interview.Secondary_structure_orientations no
_Entry_interview.Metabolite_coordinates no
_Entry_interview.Mass_spec_data no
_Entry_interview.Other_kind_of_data no
save_
save_deposited_data_files
_Deposited_data_files.Sf_category deposited_data_files
_Deposited_data_files.Sf_framecode deposited_data_files
_Deposited_data_files.Entry_ID 16463
_Deposited_data_files.ID 1
loop_
_Upload_data.Data_file_ID
_Upload_data.Data_file_name
_Upload_data.Data_file_Sf_category
_Upload_data.Data_file_syntax
_Upload_data.Entry_ID
_Upload_data.Deposited_data_files_ID
1 Mukherjee-Len-submit.str "NMR Data Upload" "NMR-STAR V3" 16463 1
stop_
save_
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16463
_Entry.Title
;
Backbone and side-chain 1H, 13C and 15N resonance assignments of LEN, a human immunoglobulin kIV light-chain variable domain
;
_Entry.Version_type new
_Entry.Submission_date 2009-08-20
_Entry.Accession_date 2009-08-20
_Entry.Origination author
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Dep_release_code_coordinates "HOLD FOR PUBLICATION"
_Entry.Dep_release_code_nmr_constraints "HOLD FOR PUBLICATION"
_Entry.Dep_release_code_nmr_exptl "HOLD FOR PUBLICATION"
_Entry.Dep_release_code_sequence "HOLD FOR RELEASE"
_Entry.PDB_deposit_site BMRB
_Entry.PDB_process_site RCSB
_Entry.BMRB_deposit_site BMRB
_Entry.BMRB_process_site BMRB
_Entry.RCSB_annotator UNASSIGNED
_Entry.Assigned_BMRB_ID 16463
_Entry.Assigned_BMRB_deposition_code 2Z0R4W4
loop_
_Contact_person.ID
_Contact_person.Email_address
_Contact_person.Name_salutation
_Contact_person.Given_name
_Contact_person.Family_name
_Contact_person.Middle_initials
_Contact_person.Family_title
_Contact_person.Department_and_institution
_Contact_person.Mailing_address
_Contact_person.Address_1
_Contact_person.Address_2
_Contact_person.Address_3
_Contact_person.City
_Contact_person.State_province
_Contact_person.Country
_Contact_person.Postal_code
_Contact_person.Phone_number
_Contact_person.FAX_number
_Contact_person.Role
_Contact_person.Organization_type
_Contact_person.Entry_ID
1 jaroniec@chemistry.ohio-state.edu Prof. Christopher Jaroniec P. ? ? ? "Department of Chemistry, The Ohio State University" "1035 Evans Laboratory" "100 West 18th Ave." Columbus OH USA 43210 "614 247 4284" ? "principal investigator" academic 16463
2 mukherjee.30@osu.edu Dr. Sujoy Mukherjee ? ? ? ? "100 West 18th Avenue" "1086 Evans Lab" ? Columbus OH USA 43210 6142474285 ? "responsible scientist" academic 16463
stop_
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 Sujoy Mukherjee ? ? ? 16463
2 Simon Pondaven ? P. ? 16463
3 Nicole Hofer ? ? ? 16463
4 Christopher Jaroniec ? P. ? 16463
stop_
loop_
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
? "The Ohio State University" ? 16463
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16463
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
"13C chemical shifts" 430 16463
"1H chemical shifts" 671 16463
"15N chemical shifts" 110 16463
stop_
loop_
_Release.Release_number
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
? ? ? ? ? ? 16463
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1LVE "x-ray structure of immunoglobulin light chain, LEN" 16463
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 16463
_Citation.ID 1
_Citation.Class "entry citation"
_Citation.DOI ?
_Citation.PubMed_ID ?
_Citation.Title
;
Backbone and side-chain 1H, 13C and 15N resonance assignments of LEN, a human immunoglobulin kIV light-chain variable domain
;
_Citation.Status "in preparation"
_Citation.Type journal
_Citation.Journal_abbrev "Biomol. NMR Assignments"
_Citation.Journal_name_full ?
_Citation.Journal_volume ?
_Citation.Journal_issue ?
_Citation.Journal_ASTM ?
_Citation.Journal_ISSN ?
_Citation.Journal_CSD ?
_Citation.Page_first ?
_Citation.Page_last ?
_Citation.Year ?
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 Sujoy Mukherjee ? ? ? 16463 1
2 Simon Pondaven ? P. ? 16463 1
3 Nicole Hofer ? ? ? 16463 1
4 Christopher Jaroniec ? P. ? 16463 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
"Immunoglobulin light chain" 16463 1
"Bence Jones protein" 16463 1
"Light chain amyloidosis" 16463 1
"Protein misfolding" 16463 1
"NMR spectroscopy" 16463 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16463
_Assembly.ID 1
_Assembly.Name "kIV light-chain variable domain of immunoglobulin"
_Assembly.Paramagnetic no
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 "light chain variable domain" 1 $LEN A ? yes native no no ? "immunological complimentarity determination" ? 16463 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 1LVE ? ? X-ray ? ? ? 16463 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_LEN
_Entity.Sf_category entity
_Entity.Sf_framecode LEN
_Entity.Entry_ID 16463
_Entity.ID 1
_Entity.Name LEN
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code_can ?
_Entity.Polymer_seq_one_letter_code
;
DIVMTQSPDSLAVSLGERAT
INCKSSQSVLYSSNSKNYLA
WYQQKPGQPPKLLIYWASTR
ESGVPDRFSGSGSGTDFTLT
ISSLQAEDVAVYYCQQYYST
PYSFGQGTKLEIKR
;
_Entity.Polymer_author_defined_seq
;
27,Q
27a,S
27b,V
27c,L
27d,Y
27e,S
27f,S
28,N
;
_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 114
_Entity.Paramagnetic no
_Entity.Thiol_state "all disulfide bound"
loop_
_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
_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
? PDB 1LVE ? LEN ? ? ? ? ? . . . . . ? ? . . 16463 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 1 ASP . 16463 1
2 2 ILE . 16463 1
3 3 VAL . 16463 1
4 4 MET . 16463 1
5 5 THR . 16463 1
6 6 GLN . 16463 1
7 7 SER . 16463 1
8 8 PRO . 16463 1
9 9 ASP . 16463 1
10 10 SER . 16463 1
11 11 LEU . 16463 1
12 12 ALA . 16463 1
13 13 VAL . 16463 1
14 14 SER . 16463 1
15 15 LEU . 16463 1
16 16 GLY . 16463 1
17 17 GLU . 16463 1
18 18 ARG . 16463 1
19 19 ALA . 16463 1
20 20 THR . 16463 1
21 21 ILE . 16463 1
22 22 ASN . 16463 1
23 23 CYS . 16463 1
24 24 LYS . 16463 1
25 25 SER . 16463 1
26 26 SER . 16463 1
27 27 GLN . 16463 1
28 27a SER . 16463 1
29 27b VAL . 16463 1
30 27c LEU . 16463 1
31 27d TYR . 16463 1
32 27e SER . 16463 1
33 27f SER . 16463 1
34 28 ASN . 16463 1
35 29 SER . 16463 1
36 30 LYS . 16463 1
37 31 ASN . 16463 1
38 32 TYR . 16463 1
39 33 LEU . 16463 1
40 34 ALA . 16463 1
41 35 TRP . 16463 1
42 36 TYR . 16463 1
43 37 GLN . 16463 1
44 38 GLN . 16463 1
45 39 LYS . 16463 1
46 40 PRO . 16463 1
47 41 GLY . 16463 1
48 42 GLN . 16463 1
49 43 PRO . 16463 1
50 44 PRO . 16463 1
51 45 LYS . 16463 1
52 46 LEU . 16463 1
53 47 LEU . 16463 1
54 48 ILE . 16463 1
55 49 TYR . 16463 1
56 50 TRP . 16463 1
57 51 ALA . 16463 1
58 52 SER . 16463 1
59 53 THR . 16463 1
60 54 ARG . 16463 1
61 55 GLU . 16463 1
62 56 SER . 16463 1
63 57 GLY . 16463 1
64 58 VAL . 16463 1
65 59 PRO . 16463 1
66 60 ASP . 16463 1
67 61 ARG . 16463 1
68 62 PHE . 16463 1
69 63 SER . 16463 1
70 64 GLY . 16463 1
71 65 SER . 16463 1
72 66 GLY . 16463 1
73 67 SER . 16463 1
74 68 GLY . 16463 1
75 69 THR . 16463 1
76 70 ASP . 16463 1
77 71 PHE . 16463 1
78 72 THR . 16463 1
79 73 LEU . 16463 1
80 74 THR . 16463 1
81 75 ILE . 16463 1
82 76 SER . 16463 1
83 77 SER . 16463 1
84 78 LEU . 16463 1
85 79 GLN . 16463 1
86 80 ALA . 16463 1
87 81 GLU . 16463 1
88 82 ASP . 16463 1
89 83 VAL . 16463 1
90 84 ALA . 16463 1
91 85 VAL . 16463 1
92 86 TYR . 16463 1
93 87 TYR . 16463 1
94 88 CYS . 16463 1
95 89 GLN . 16463 1
96 90 GLN . 16463 1
97 91 TYR . 16463 1
98 92 TYR . 16463 1
99 93 SER . 16463 1
100 94 THR . 16463 1
101 95 PRO . 16463 1
102 96 TYR . 16463 1
103 97 SER . 16463 1
104 98 PHE . 16463 1
105 99 GLY . 16463 1
106 100 GLN . 16463 1
107 101 GLY . 16463 1
108 102 THR . 16463 1
109 103 LYS . 16463 1
110 104 LEU . 16463 1
111 105 GLU . 16463 1
112 106 ILE . 16463 1
113 107 LYS . 16463 1
114 108 ARG . 16463 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
. ASP 1 1 16463 1
. ILE 2 2 16463 1
. VAL 3 3 16463 1
. MET 4 4 16463 1
. THR 5 5 16463 1
. GLN 6 6 16463 1
. SER 7 7 16463 1
. PRO 8 8 16463 1
. ASP 9 9 16463 1
. SER 10 10 16463 1
. LEU 11 11 16463 1
. ALA 12 12 16463 1
. VAL 13 13 16463 1
. SER 14 14 16463 1
. LEU 15 15 16463 1
. GLY 16 16 16463 1
. GLU 17 17 16463 1
. ARG 18 18 16463 1
. ALA 19 19 16463 1
. THR 20 20 16463 1
. ILE 21 21 16463 1
. ASN 22 22 16463 1
. CYS 23 23 16463 1
. LYS 24 24 16463 1
. SER 25 25 16463 1
. SER 26 26 16463 1
. GLN 27 27 16463 1
. SER 28 28 16463 1
. VAL 29 29 16463 1
. LEU 30 30 16463 1
. TYR 31 31 16463 1
. SER 32 32 16463 1
. SER 33 33 16463 1
. ASN 34 34 16463 1
. SER 35 35 16463 1
. LYS 36 36 16463 1
. ASN 37 37 16463 1
. TYR 38 38 16463 1
. LEU 39 39 16463 1
. ALA 40 40 16463 1
. TRP 41 41 16463 1
. TYR 42 42 16463 1
. GLN 43 43 16463 1
. GLN 44 44 16463 1
. LYS 45 45 16463 1
. PRO 46 46 16463 1
. GLY 47 47 16463 1
. GLN 48 48 16463 1
. PRO 49 49 16463 1
. PRO 50 50 16463 1
. LYS 51 51 16463 1
. LEU 52 52 16463 1
. LEU 53 53 16463 1
. ILE 54 54 16463 1
. TYR 55 55 16463 1
. TRP 56 56 16463 1
. ALA 57 57 16463 1
. SER 58 58 16463 1
. THR 59 59 16463 1
. ARG 60 60 16463 1
. GLU 61 61 16463 1
. SER 62 62 16463 1
. GLY 63 63 16463 1
. VAL 64 64 16463 1
. PRO 65 65 16463 1
. ASP 66 66 16463 1
. ARG 67 67 16463 1
. PHE 68 68 16463 1
. SER 69 69 16463 1
. GLY 70 70 16463 1
. SER 71 71 16463 1
. GLY 72 72 16463 1
. SER 73 73 16463 1
. GLY 74 74 16463 1
. THR 75 75 16463 1
. ASP 76 76 16463 1
. PHE 77 77 16463 1
. THR 78 78 16463 1
. LEU 79 79 16463 1
. THR 80 80 16463 1
. ILE 81 81 16463 1
. SER 82 82 16463 1
. SER 83 83 16463 1
. LEU 84 84 16463 1
. GLN 85 85 16463 1
. ALA 86 86 16463 1
. GLU 87 87 16463 1
. ASP 88 88 16463 1
. VAL 89 89 16463 1
. ALA 90 90 16463 1
. VAL 91 91 16463 1
. TYR 92 92 16463 1
. TYR 93 93 16463 1
. CYS 94 94 16463 1
. GLN 95 95 16463 1
. GLN 96 96 16463 1
. TYR 97 97 16463 1
. TYR 98 98 16463 1
. SER 99 99 16463 1
. THR 100 100 16463 1
. PRO 101 101 16463 1
. TYR 102 102 16463 1
. SER 103 103 16463 1
. PHE 104 104 16463 1
. GLY 105 105 16463 1
. GLN 106 106 16463 1
. GLY 107 107 16463 1
. THR 108 108 16463 1
. LYS 109 109 16463 1
. LEU 110 110 16463 1
. GLU 111 111 16463 1
. ILE 112 112 16463 1
. LYS 113 113 16463 1
. ARG 114 114 16463 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 16463
_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.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $LEN ? 9606 organism ? "Homo sapiens" Human ? ? Eukaryota Metazoa Homo sapiens ? 16463 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 16463
_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.Vector_name
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $LEN ? "recombinant technology" "Escherichia coli" ? ? ? Escherichia coli C41(DE3) ? pASK40 16463 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_13C,15N-sample
_Sample.Sf_category sample
_Sample.Sf_framecode 13C,15N-sample
_Sample.Entry_ID 16463
_Sample.ID 1
_Sample.Type solution
_Sample.Solvent_system "93% H2O/7% D2O"
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 LEN "[U-13C; U-15N]" ? ? 1 $LEN ? ? 1.5 ? ? mM ? ? ? ? 16463 1
2 H2O "natural abundance" ? ? ? ? ? ? 93 ? ? % ? ? ? ? 16463 1
3 D2O "natural abundance" ? ? ? ? ? ? 7 ? ? % ? ? ? ? 16463 1
stop_
save_
save_15N-sample
_Sample.Sf_category sample
_Sample.Sf_framecode 15N-sample
_Sample.Entry_ID 16463
_Sample.ID 2
_Sample.Type solution
_Sample.Solvent_system "93% H2O/7% D2O"
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 LEN [U-15N] ? ? 1 $LEN ? ? 1.7 ? ? mM ? ? ? ? 16463 2
2 H2O "natural abundance" ? ? ? ? ? ? 93 ? ? % ? ? ? ? 16463 2
3 D2O "natural abundance" ? ? ? ? ? ? 7 ? ? % ? ? ? ? 16463 2
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 16463
_Sample_condition_list.ID 1
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
temperature 25 ? C 16463 1
pH 6.5 ? pH 16463 1
pressure ambient ? atm 16463 1
"ionic strength" 100 ? mM 16463 1
stop_
save_
############################
# Computer software used #
############################
save_xwinnmr
_Software.Sf_category software
_Software.Sf_framecode xwinnmr
_Software.Entry_ID 16463
_Software.ID 1
_Software.Name xwinnmr
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
"Bruker Biospin" ? ? 16463 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 16463 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 16463
_Software.ID 2
_Software.Name NMRPipe
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
"Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax" ? ? 16463 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 16463 2
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 16463
_Software.ID 3
_Software.Name SPARKY
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard ? ? 16463 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"chemical shift assignment" 16463 3
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 16463
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details "cryogenic probe, z-axis gradient"
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Field_strength 800
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 16463
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details "RT probe, triple axis gradients"
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Field_strength 600
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 16463
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker DRX ? 800 "cryogenic probe, z-axis gradient" ? ? 16463 1
2 spectrometer_2 Bruker DMX ? 600 "RT probe, triple axis gradients" ? ? 16463 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 16463
_Experiment_list.ID 1
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_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.Entry_ID
_Experiment.Experiment_list_ID
1 "2D 1H-15N HSQC" no ? ? 2 $15N-sample isotropic ? ? 1 $sample_conditions_1 ? ? ? 1 $spectrometer_1 ? ? ? ? 16463 1
2 "3D HNCA" no ? ? 1 $13C,15N-sample isotropic ? ? 1 $sample_conditions_1 ? ? ? 1 $spectrometer_1 ? ? ? ? 16463 1
3 "3D HNCACB" no ? ? 1 $13C,15N-sample isotropic ? ? 1 $sample_conditions_1 ? ? ? 1 $spectrometer_1 ? ? ? ? 16463 1
4 "3D HNCO" no ? ? 1 $13C,15N-sample isotropic ? ? 1 $sample_conditions_1 ? ? ? 1 $spectrometer_1 ? ? ? ? 16463 1
5 "3D HN(CO)CA" no ? ? 1 $13C,15N-sample isotropic ? ? 1 $sample_conditions_1 ? ? ? 2 $spectrometer_2 ? ? ? ? 16463 1
6 "3D HCCH-TOCSY" no ? ? 1 $13C,15N-sample isotropic ? ? 1 $sample_conditions_1 ? ? ? 2 $spectrometer_2 ? ? ? ? 16463 1
7 "3D 1H-15N TOCSY" no ? ? 2 $15N-sample isotropic ? ? 1 $sample_conditions_1 ? ? ? 2 $spectrometer_2 ? ? ? ? 16463 1
8 "3D 1H-15N NOESY" no ? ? 2 $15N-sample isotropic ? ? 1 $sample_conditions_1 ? ? ? 2 $spectrometer_2 ? ? ? ? 16463 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_TSP_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode TSP_reference
_Chem_shift_reference.Entry_ID 16463
_Chem_shift_reference.ID 1
_Chem_shift_reference.Proton_shifts_flag yes
_Chem_shift_reference.Carbon_shifts_flag yes
_Chem_shift_reference.Nitrogen_shifts_flag yes
_Chem_shift_reference.Phosphorus_shifts_flag no
_Chem_shift_reference.Other_shifts_flag no
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.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 TSP "methyl protons" ? ? ? ? ppm 0 external direct 1.0 16463 1
C 13 TSP "methyl protons" ? ? ? ? ppm 0 external indirect 0.25144954 16463 1
N 15 TSP "methyl protons" ? ? ? ? ppm 0 external indirect 0.10132900 16463 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16463
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Data_file_name Mukherjee-Len-submit.str
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $TSP_reference
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 "2D 1H-15N HSQC" ? ? ? 16463 1
2 "3D HNCA" ? ? ? 16463 1
3 "3D HNCACB" ? ? ? 16463 1
4 "3D HNCO" ? ? ? 16463 1
6 "3D HCCH-TOCSY" ? ? ? 16463 1
7 "3D 1H-15N TOCSY" ? ? ? 16463 1
8 "3D 1H-15N NOESY" ? ? ? 16463 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
3 $SPARKY ? ? 16463 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_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 1 1 ASP C C 13 172.194 . . 1 . . . 1 D C' . 16463 1
2 . 1 1 1 1 ASP CA C 13 53.643 . . 1 . . . 1 D CA . 16463 1
3 . 1 1 1 1 ASP CB C 13 39.253 . . 1 . . . 1 D CB . 16463 1
4 . 1 1 1 1 ASP HA H 1 4.322 . . 1 . . . 1 D HA . 16463 1
5 . 1 1 1 1 ASP HB2 H 1 2.814 . . 2 . . . 1 D HB2 . 16463 1
6 . 1 1 1 1 ASP HB3 H 1 2.558 . . 2 . . . 1 D HB3 . 16463 1
7 . 1 1 2 2 ILE C C 13 175.675 . . . . . . 2 I C' . 16463 1
8 . 1 1 2 2 ILE CA C 13 62.863 . . 1 . . . 2 I CA . 16463 1
9 . 1 1 2 2 ILE CB C 13 37.944 . . 1 . . . 2 I CB . 16463 1
10 . 1 1 2 2 ILE CD1 C 13 13.348 . . 1 . . . 2 I CD1 . 16463 1
11 . 1 1 2 2 ILE CG1 C 13 27.862 . . 1 . . . 2 I CG1 . 16463 1
12 . 1 1 2 2 ILE CG2 C 13 18.745 . . 1 . . . 2 I CG2 . 16463 1
13 . 1 1 2 2 ILE HA H 1 3.842 . . 1 . . . 2 I HA . 16463 1
14 . 1 1 2 2 ILE HB H 1 1.670 . . 1 . . . 2 I HB . 16463 1
15 . 1 1 2 2 ILE HD11 H 1 0.726 . . 1 . . . 2 I HD1 . 16463 1
16 . 1 1 2 2 ILE HD13 H 1 0.726 . . 1 . . . 2 I HD1 . 16463 1
17 . 1 1 2 2 ILE HD12 H 1 0.726 . . 1 . . . 2 I HD1 . 16463 1
18 . 1 1 2 2 ILE HG12 H 1 1.612 . . 2 . . . 2 I HG12 . 16463 1
19 . 1 1 2 2 ILE HG13 H 1 0.642 . . 2 . . . 2 I HG13 . 16463 1
20 . 1 1 2 2 ILE HG23 H 1 0.851 . . 1 . . . 2 I HG2 . 16463 1
21 . 1 1 2 2 ILE HG22 H 1 0.851 . . 1 . . . 2 I HG2 . 16463 1
22 . 1 1 2 2 ILE HG21 H 1 0.851 . . 1 . . . 2 I HG2 . 16463 1
23 . 1 1 2 2 ILE H H 1 9.054 . . 1 . . . 2 I HN . 16463 1
24 . 1 1 2 2 ILE N N 15 123.258 . . 1 . . . 2 I N . 16463 1
25 . 1 1 3 3 VAL C C 13 175.436 . . . . . . 3 V C' . 16463 1
26 . 1 1 3 3 VAL CA C 13 62.038 . . 1 . . . 3 V CA . 16463 1
27 . 1 1 3 3 VAL CB C 13 33.943 . . 1 . . . 3 V CB . 16463 1
28 . 1 1 3 3 VAL CG1 C 13 21.098 . . 2 . . . 3 V CG1 . 16463 1
29 . 1 1 3 3 VAL CG2 C 13 21.098 . . 2 . . . 3 V CG2 . 16463 1
30 . 1 1 3 3 VAL HA H 1 4.149 . . 1 . . . 3 V HA . 16463 1
31 . 1 1 3 3 VAL HB H 1 1.919 . . 1 . . . 3 V HB . 16463 1
32 . 1 1 3 3 VAL HG13 H 1 0.974 . . 2 . . . 3 V HG1 . 16463 1
33 . 1 1 3 3 VAL HG12 H 1 0.974 . . 2 . . . 3 V HG1 . 16463 1
34 . 1 1 3 3 VAL HG11 H 1 0.974 . . 2 . . . 3 V HG1 . 16463 1
35 . 1 1 3 3 VAL HG22 H 1 0.974 . . 2 . . . 3 V HG2 . 16463 1
36 . 1 1 3 3 VAL HG21 H 1 0.974 . . 2 . . . 3 V HG2 . 16463 1
37 . 1 1 3 3 VAL HG23 H 1 0.974 . . 2 . . . 3 V HG2 . 16463 1
38 . 1 1 3 3 VAL H H 1 8.989 . . 1 . . . 3 V HN . 16463 1
39 . 1 1 3 3 VAL N N 15 133.475 . . 1 . . . 3 V N . 16463 1
40 . 1 1 4 4 MET C C 13 176.044 . . . . . . 4 M C' . 16463 1
41 . 1 1 4 4 MET CA C 13 51.908 . . 1 . . . 4 M CA . 16463 1
42 . 1 1 4 4 MET CB C 13 31.273 . . 1 . . . 4 M CB . 16463 1
43 . 1 1 4 4 MET CG C 13 31.600 . . 1 . . . 4 M CG . 16463 1
44 . 1 1 4 4 MET HA H 1 5.533 . . 1 . . . 4 M HA . 16463 1
45 . 1 1 4 4 MET HB3 H 1 1.797 . . 2 . . . 4 M HB . 16463 1
46 . 1 1 4 4 MET HB2 H 1 1.797 . . 2 . . . 4 M HB . 16463 1
47 . 1 1 4 4 MET HB3 H 1 1.618 . . 2 . . . 4 M HB3 . 16463 1
48 . 1 1 4 4 MET HG2 H 1 2.413 . . 2 . . . 4 M HG2 . 16463 1
49 . 1 1 4 4 MET HG3 H 1 2.205 . . 2 . . . 4 M HG3 . 16463 1
50 . 1 1 4 4 MET H H 1 9.100 . . 1 . . . 4 M HN . 16463 1
51 . 1 1 4 4 MET N N 15 128.849 . . 1 . . . 4 M N . 16463 1
52 . 1 1 5 5 THR C C 13 174.459 . . . . . . 5 T C' . 16463 1
53 . 1 1 5 5 THR CA C 13 61.706 . . 1 . . . 5 T CA . 16463 1
54 . 1 1 5 5 THR CB C 13 71.034 . . 1 . . . 5 T CB . 16463 1
55 . 1 1 5 5 THR CG2 C 13 21.485 . . 1 . . . 5 T CG2 . 16463 1
56 . 1 1 5 5 THR HA H 1 4.800 . . 1 . . . 5 T HA . 16463 1
57 . 1 1 5 5 THR HB H 1 4.047 . . 1 . . . 5 T HB . 16463 1
58 . 1 1 5 5 THR HG23 H 1 1.271 . . . . . . 5 T HG2 . 16463 1
59 . 1 1 5 5 THR HG21 H 1 1.271 . . . . . . 5 T HG2 . 16463 1
60 . 1 1 5 5 THR HG22 H 1 1.271 . . . . . . 5 T HG2 . 16463 1
61 . 1 1 5 5 THR H H 1 9.423 . . 1 . . . 5 T HN . 16463 1
62 . 1 1 5 5 THR N N 15 119.177 . . 1 . . . 5 T N . 16463 1
63 . 1 1 6 6 GLN C C 13 175.265 . . . . . . 6 Q C' . 16463 1
64 . 1 1 6 6 GLN CA C 13 54.511 . . 1 . . . 6 Q CA . 16463 1
65 . 1 1 6 6 GLN CB C 13 31.583 . . 1 . . . 6 Q CB . 16463 1
66 . 1 1 6 6 GLN CG C 13 37.564 . . 1 . . . 6 Q CG . 16463 1
67 . 1 1 6 6 GLN HA H 1 5.558 . . 1 . . . 6 Q HA . 16463 1
68 . 1 1 6 6 GLN HB2 H 1 2.241 . . 2 . . . 6 Q HB2 . 16463 1
69 . 1 1 6 6 GLN HB3 H 1 1.904 . . 2 . . . 6 Q HB3 . 16463 1
70 . 1 1 6 6 GLN HG2 H 1 2.755 . . 2 . . . 6 Q HG2 . 16463 1
71 . 1 1 6 6 GLN HG3 H 1 2.377 . . 2 . . . 6 Q HG3 . 16463 1
72 . 1 1 6 6 GLN H H 1 9.814 . . 1 . . . 6 Q HN . 16463 1
73 . 1 1 6 6 GLN N N 15 128.561 . . 1 . . . 6 Q N . 16463 1
74 . 1 1 7 7 SER CA C 13 56.189 . . 1 . . . 7 S CA . 16463 1
75 . 1 1 7 7 SER CB C 13 65.000 . . 1 . . . 7 S CB . 16463 1
76 . 1 1 7 7 SER HA H 1 4.627 . . 1 . . . 7 S HA . 16463 1
77 . 1 1 7 7 SER HB2 H 1 3.830 . . 2 . . . 7 S HB2 . 16463 1
78 . 1 1 7 7 SER HB3 H 1 3.794 . . 2 . . . 7 S HB3 . 16463 1
79 . 1 1 7 7 SER H H 1 8.625 . . 1 . . . 7 S HN . 16463 1
80 . 1 1 7 7 SER N N 15 116.671 . . 1 . . . 7 S N . 16463 1
81 . 1 1 8 8 PRO C C 13 175.055 . . . . . . 8 P C' . 16463 1
82 . 1 1 8 8 PRO CA C 13 63.170 . . 1 . . . 8 P CA . 16463 1
83 . 1 1 8 8 PRO CB C 13 35.049 . . 1 . . . 8 P CB . 16463 1
84 . 1 1 8 8 PRO CD C 13 48.782 . . 1 . . . 8 P CD . 16463 1
85 . 1 1 8 8 PRO CG C 13 25.892 . . 1 . . . 8 P CG . 16463 1
86 . 1 1 8 8 PRO HA H 1 5.111 . . 1 . . . 8 P HA . 16463 1
87 . 1 1 8 8 PRO HB2 H 1 2.618 . . 2 . . . 8 P HB2 . 16463 1
88 . 1 1 8 8 PRO HB3 H 1 2.532 . . 2 . . . 8 P HB3 . 16463 1
89 . 1 1 8 8 PRO HD2 H 1 3.751 . . 2 . . . 8 P HD2 . 16463 1
90 . 1 1 8 8 PRO HD3 H 1 3.659 . . 2 . . . 8 P HD3 . 16463 1
91 . 1 1 8 8 PRO HG2 H 1 2.164 . . 2 . . . 8 P HG2 . 16463 1
92 . 1 1 8 8 PRO HG3 H 1 1.556 . . 2 . . . 8 P HG3 . 16463 1
93 . 1 1 9 9 ASP C C 13 177.341 . . . . . . 9 D C' . 16463 1
94 . 1 1 9 9 ASP CA C 13 56.944 . . 1 . . . 9 D CA . 16463 1
95 . 1 1 9 9 ASP CB C 13 41.052 . . 1 . . . 9 D CB . 16463 1
96 . 1 1 9 9 ASP HA H 1 4.771 . . 1 . . . 9 D HA . 16463 1
97 . 1 1 9 9 ASP HB2 H 1 2.833 . . 2 . . . 9 D HB2 . 16463 1
98 . 1 1 9 9 ASP HB3 H 1 2.833 . . 2 . . . 9 D HB3 . 16463 1
99 . 1 1 9 9 ASP H H 1 8.862 . . 1 . . . 9 D HN . 16463 1
100 . 1 1 9 9 ASP N N 15 119.703 . . 1 . . . 9 D N . 16463 1
101 . 1 1 10 10 SER C C 13 171.764 . . . . . . 10 S C' . 16463 1
102 . 1 1 10 10 SER CA C 13 56.963 . . 1 . . . 10 S CA . 16463 1
103 . 1 1 10 10 SER CB C 13 65.034 . . 1 . . . 10 S CB . 16463 1
104 . 1 1 10 10 SER HA H 1 5.318 . . 1 . . . 10 S HA . 16463 1
105 . 1 1 10 10 SER HB2 H 1 3.865 . . 2 . . . 10 S HB2 . 16463 1
106 . 1 1 10 10 SER HB3 H 1 3.865 . . 2 . . . 10 S HB3 . 16463 1
107 . 1 1 10 10 SER H H 1 7.788 . . 1 . . . 10 S HN . 16463 1
108 . 1 1 10 10 SER N N 15 114.440 . . 1 . . . 10 S N . 16463 1
109 . 1 1 11 11 LEU C C 13 173.165 . . . . . . 11 L C' . 16463 1
110 . 1 1 11 11 LEU CA C 13 54.742 . . 1 . . . 11 L CA . 16463 1
111 . 1 1 11 11 LEU CB C 13 46.191 . . 1 . . . 11 L CB . 16463 1
112 . 1 1 11 11 LEU CD1 C 13 25.868 . . 2 . . . 11 L CD1 . 16463 1
113 . 1 1 11 11 LEU CD2 C 13 24.648 . . 2 . . . 11 L CD2 . 16463 1
114 . 1 1 11 11 LEU CG C 13 27.097 . . 1 . . . 11 L CG . 16463 1
115 . 1 1 11 11 LEU HA H 1 4.651 . . 1 . . . 11 L HA . 16463 1
116 . 1 1 11 11 LEU HB2 H 1 1.633 . . 2 . . . 11 L HB2 . 16463 1
117 . 1 1 11 11 LEU HB3 H 1 1.430 . . 2 . . . 11 L HB3 . 16463 1
118 . 1 1 11 11 LEU HD13 H 1 0.874 . . 2 . . . 11 L HD1 . 16463 1
119 . 1 1 11 11 LEU HD11 H 1 0.874 . . 2 . . . 11 L HD1 . 16463 1
120 . 1 1 11 11 LEU HD12 H 1 0.874 . . 2 . . . 11 L HD1 . 16463 1
121 . 1 1 11 11 LEU HD22 H 1 0.933 . . 2 . . . 11 L HD2 . 16463 1
122 . 1 1 11 11 LEU HD21 H 1 0.933 . . 2 . . . 11 L HD2 . 16463 1
123 . 1 1 11 11 LEU HD23 H 1 0.933 . . 2 . . . 11 L HD2 . 16463 1
124 . 1 1 11 11 LEU HG H 1 1.455 . . 1 . . . 11 L HG . 16463 1
125 . 1 1 11 11 LEU H H 1 8.965 . . 1 . . . 11 L HN . 16463 1
126 . 1 1 11 11 LEU N N 15 126.238 . . 1 . . . 11 L N . 16463 1
127 . 1 1 12 12 ALA C C 13 176.476 . . . . . . 12 A C' . 16463 1
128 . 1 1 12 12 ALA CA C 13 50.231 . . 1 . . . 12 A CA . 16463 1
129 . 1 1 12 12 ALA CB C 13 19.818 . . 1 . . . 12 A CB . 16463 1
130 . 1 1 12 12 ALA HA H 1 5.399 . . 1 . . . 12 A HA . 16463 1
131 . 1 1 12 12 ALA HB2 H 1 1.182 . . 1 . . . 12 A HB . 16463 1
132 . 1 1 12 12 ALA HB3 H 1 1.182 . . 1 . . . 12 A HB . 16463 1
133 . 1 1 12 12 ALA HB1 H 1 1.182 . . 1 . . . 12 A HB . 16463 1
134 . 1 1 12 12 ALA H H 1 8.463 . . 1 . . . 12 A HN . 16463 1
135 . 1 1 12 12 ALA N N 15 129.344 . . 1 . . . 12 A N . 16463 1
136 . 1 1 13 13 VAL C C 13 175.111 . . . . . . 13 V C' . 16463 1
137 . 1 1 13 13 VAL CA C 13 59.678 . . 1 . . . 13 V CA . 16463 1
138 . 1 1 13 13 VAL CB C 13 35.874 . . 1 . . . 13 V CB . 16463 1
139 . 1 1 13 13 VAL CG1 C 13 21.743 . . 2 . . . 13 V CG1 . 16463 1
140 . 1 1 13 13 VAL CG2 C 13 20.848 . . 2 . . . 13 V CG2 . 16463 1
141 . 1 1 13 13 VAL HA H 1 4.529 . . 1 . . . 13 V HA . 16463 1
142 . 1 1 13 13 VAL HB H 1 2.044 . . 1 . . . 13 V HB . 16463 1
143 . 1 1 13 13 VAL HG13 H 1 0.964 . . 2 . . . 13 V HG1 . 16463 1
144 . 1 1 13 13 VAL HG12 H 1 0.964 . . 2 . . . 13 V HG1 . 16463 1
145 . 1 1 13 13 VAL HG11 H 1 0.964 . . 2 . . . 13 V HG1 . 16463 1
146 . 1 1 13 13 VAL HG23 H 1 0.787 . . 2 . . . 13 V HG2 . 16463 1
147 . 1 1 13 13 VAL HG21 H 1 0.787 . . 2 . . . 13 V HG2 . 16463 1
148 . 1 1 13 13 VAL HG22 H 1 0.787 . . 2 . . . 13 V HG2 . 16463 1
149 . 1 1 13 13 VAL H H 1 8.365 . . 1 . . . 13 V HN . 16463 1
150 . 1 1 13 13 VAL N N 15 121.229 . . 1 . . . 13 V N . 16463 1
151 . 1 1 14 14 SER C C 13 173.580 . . . . . . 14 S C' . 16463 1
152 . 1 1 14 14 SER CA C 13 59.041 . . 1 . . . 14 S CA . 16463 1
153 . 1 1 14 14 SER CB C 13 63.812 . . 1 . . . 14 S CB . 16463 1
154 . 1 1 14 14 SER HA H 1 4.688 . . 1 . . . 14 S HA . 16463 1
155 . 1 1 14 14 SER HB2 H 1 3.972 . . 2 . . . 14 S HB2 . 16463 1
156 . 1 1 14 14 SER HB3 H 1 3.571 . . 2 . . . 14 S HB3 . 16463 1
157 . 1 1 14 14 SER H H 1 8.763 . . 1 . . . 14 S HN . 16463 1
158 . 1 1 14 14 SER N N 15 122.505 . . 1 . . . 14 S N . 16463 1
159 . 1 1 15 15 LEU C C 13 178.786 . . . . . . 15 L C' . 16463 1
160 . 1 1 15 15 LEU CA C 13 56.948 . . 1 . . . 15 L CA . 16463 1
161 . 1 1 15 15 LEU CB C 13 41.275 . . 1 . . . 15 L CB . 16463 1
162 . 1 1 15 15 LEU CD1 C 13 25.276 . . 2 . . . 15 L CD1 . 16463 1
163 . 1 1 15 15 LEU CD2 C 13 23.310 . . 2 . . . 15 L CD2 . 16463 1
164 . 1 1 15 15 LEU CG C 13 26.718 . . 1 . . . 15 L CG . 16463 1
165 . 1 1 15 15 LEU HA H 1 3.842 . . 1 . . . 15 L HA . 16463 1
166 . 1 1 15 15 LEU HB2 H 1 1.663 . . 2 . . . 15 L HB2 . 16463 1
167 . 1 1 15 15 LEU HB3 H 1 1.489 . . 2 . . . 15 L HB3 . 16463 1
168 . 1 1 15 15 LEU HD13 H 1 0.991 . . 2 . . . 15 L HD1 . 16463 1
169 . 1 1 15 15 LEU HD12 H 1 0.991 . . 2 . . . 15 L HD1 . 16463 1
170 . 1 1 15 15 LEU HD11 H 1 0.991 . . 2 . . . 15 L HD1 . 16463 1
171 . 1 1 15 15 LEU HD21 H 1 0.786 . . 2 . . . 15 L HD2 . 16463 1
172 . 1 1 15 15 LEU HD23 H 1 0.786 . . 2 . . . 15 L HD2 . 16463 1
173 . 1 1 15 15 LEU HD22 H 1 0.786 . . 2 . . . 15 L HD2 . 16463 1
174 . 1 1 15 15 LEU HG H 1 1.735 . . 1 . . . 15 L HG . 16463 1
175 . 1 1 15 15 LEU H H 1 8.538 . . 1 . . . 15 L HN . 16463 1
176 . 1 1 15 15 LEU N N 15 122.967 . . 1 . . . 15 L N . 16463 1
177 . 1 1 16 16 GLY C C 13 174.516 . . . . . . 16 G C' . 16463 1
178 . 1 1 16 16 GLY CA C 13 45.118 . . 1 . . . 16 G CA . 16463 1
179 . 1 1 16 16 GLY HA2 H 1 4.214 . . 2 . . . 16 G HA2 . 16463 1
180 . 1 1 16 16 GLY HA3 H 1 3.586 . . 2 . . . 16 G HA3 . 16463 1
181 . 1 1 16 16 GLY H H 1 9.646 . . 1 . . . 16 G HN . 16463 1
182 . 1 1 16 16 GLY N N 15 113.342 . . 1 . . . 16 G N . 16463 1
183 . 1 1 17 17 GLU C C 13 174.195 . . . . . . 17 E C' . 16463 1
184 . 1 1 17 17 GLU CA C 13 55.645 . . 1 . . . 17 E CA . 16463 1
185 . 1 1 17 17 GLU CB C 13 30.803 . . 1 . . . 17 E CB . 16463 1
186 . 1 1 17 17 GLU CG C 13 37.340 . . 1 . . . 17 E CG . 16463 1
187 . 1 1 17 17 GLU HA H 1 4.498 . . 1 . . . 17 E HA . 16463 1
188 . 1 1 17 17 GLU HB2 H 1 2.172 . . 2 . . . 17 E HB2 . 16463 1
189 . 1 1 17 17 GLU HB3 H 1 2.172 . . 2 . . . 17 E HB3 . 16463 1
190 . 1 1 17 17 GLU HG2 H 1 2.296 . . 2 . . . 17 E HG2 . 16463 1
191 . 1 1 17 17 GLU HG3 H 1 2.182 . . 2 . . . 17 E HG3 . 16463 1
192 . 1 1 17 17 GLU H H 1 7.771 . . 1 . . . 17 E HN . 16463 1
193 . 1 1 17 17 GLU N N 15 122.123 . . 1 . . . 17 E N . 16463 1
194 . 1 1 18 18 ARG C C 13 175.792 . . . . . . 18 R C' . 16463 1
195 . 1 1 18 18 ARG CA C 13 55.064 . . 1 . . . 18 R CA . 16463 1
196 . 1 1 18 18 ARG CB C 13 32.263 . . 1 . . . 18 R CB . 16463 1
197 . 1 1 18 18 ARG CD C 13 43.656 . . 1 . . . 18 R CD . 16463 1
198 . 1 1 18 18 ARG CG C 13 27.368 . . 1 . . . 18 R CG . 16463 1
199 . 1 1 18 18 ARG HA H 1 4.843 . . 1 . . . 18 R HA . 16463 1
200 . 1 1 18 18 ARG HB2 H 1 1.746 . . 2 . . . 18 R HB2 . 16463 1
201 . 1 1 18 18 ARG HB3 H 1 1.649 . . 2 . . . 18 R HB3 . 16463 1
202 . 1 1 18 18 ARG HD2 H 1 3.075 . . 2 . . . 18 R HD2 . 16463 1
203 . 1 1 18 18 ARG HD3 H 1 3.075 . . 2 . . . 18 R HD3 . 16463 1
204 . 1 1 18 18 ARG HG2 H 1 1.449 . . 2 . . . 18 R HG2 . 16463 1
205 . 1 1 18 18 ARG HG3 H 1 1.317 . . 2 . . . 18 R HG3 . 16463 1
206 . 1 1 18 18 ARG H H 1 8.009 . . 1 . . . 18 R HN . 16463 1
207 . 1 1 18 18 ARG N N 15 120.649 . . 1 . . . 18 R N . 16463 1
208 . 1 1 19 19 ALA C C 13 175.252 . . . . . . 19 A C' . 16463 1
209 . 1 1 19 19 ALA CA C 13 50.311 . . 1 . . . 19 A CA . 16463 1
210 . 1 1 19 19 ALA CB C 13 23.118 . . 1 . . . 19 A CB . 16463 1
211 . 1 1 19 19 ALA HA H 1 4.768 . . 1 . . . 19 A HA . 16463 1
212 . 1 1 19 19 ALA HB1 H 1 1.141 . . 1 . . . 19 A HB . 16463 1
213 . 1 1 19 19 ALA HB3 H 1 1.141 . . 1 . . . 19 A HB . 16463 1
214 . 1 1 19 19 ALA HB2 H 1 1.141 . . 1 . . . 19 A HB . 16463 1
215 . 1 1 19 19 ALA H H 1 8.792 . . 1 . . . 19 A HN . 16463 1
216 . 1 1 19 19 ALA N N 15 128.387 . . 1 . . . 19 A N . 16463 1
217 . 1 1 20 20 THR C C 13 172.640 . . . . . . 20 T C' . 16463 1
218 . 1 1 20 20 THR CA C 13 61.489 . . 1 . . . 20 T CA . 16463 1
219 . 1 1 20 20 THR CB C 13 71.166 . . 1 . . . 20 T CB . 16463 1
220 . 1 1 20 20 THR CG2 C 13 21.812 . . 1 . . . 20 T CG2 . 16463 1
221 . 1 1 20 20 THR HA H 1 5.004 . . 1 . . . 20 T HA . 16463 1
222 . 1 1 20 20 THR HB H 1 3.751 . . 1 . . . 20 T HB . 16463 1
223 . 1 1 20 20 THR HG21 H 1 1.040 . . . . . . 20 T HG2 . 16463 1
224 . 1 1 20 20 THR HG23 H 1 1.040 . . . . . . 20 T HG2 . 16463 1
225 . 1 1 20 20 THR HG22 H 1 1.040 . . . . . . 20 T HG2 . 16463 1
226 . 1 1 20 20 THR H H 1 7.801 . . 1 . . . 20 T HN . 16463 1
227 . 1 1 20 20 THR N N 15 117.079 . . 1 . . . 20 T N . 16463 1
228 . 1 1 21 21 ILE C C 13 173.872 . . . . . . 21 I C' . 16463 1
229 . 1 1 21 21 ILE CA C 13 60.994 . . 1 . . . 21 I CA . 16463 1
230 . 1 1 21 21 ILE CB C 13 41.279 . . 1 . . . 21 I CB . 16463 1
231 . 1 1 21 21 ILE CD1 C 13 14.185 . . 1 . . . 21 I CD1 . 16463 1
232 . 1 1 21 21 ILE CG1 C 13 27.698 . . 1 . . . 21 I CG1 . 16463 1
233 . 1 1 21 21 ILE CG2 C 13 18.502 . . 1 . . . 21 I CG2 . 16463 1
234 . 1 1 21 21 ILE HA H 1 4.379 . . 1 . . . 21 I HA . 16463 1
235 . 1 1 21 21 ILE HB H 1 1.547 . . 1 . . . 21 I HB . 16463 1
236 . 1 1 21 21 ILE HD11 H 1 0.483 . . 1 . . . 21 I HD1 . 16463 1
237 . 1 1 21 21 ILE HD13 H 1 0.483 . . 1 . . . 21 I HD1 . 16463 1
238 . 1 1 21 21 ILE HD12 H 1 0.483 . . 1 . . . 21 I HD1 . 16463 1
239 . 1 1 21 21 ILE HG12 H 1 1.300 . . 2 . . . 21 I HG12 . 16463 1
240 . 1 1 21 21 ILE HG13 H 1 0.824 . . 2 . . . 21 I HG13 . 16463 1
241 . 1 1 21 21 ILE HG22 H 1 1.151 . . 1 . . . 21 I HG2 . 16463 1
242 . 1 1 21 21 ILE HG23 H 1 1.151 . . 1 . . . 21 I HG2 . 16463 1
243 . 1 1 21 21 ILE HG21 H 1 1.151 . . 1 . . . 21 I HG2 . 16463 1
244 . 1 1 21 21 ILE H H 1 8.964 . . 1 . . . 21 I HN . 16463 1
245 . 1 1 21 21 ILE N N 15 125.376 . . 1 . . . 21 I N . 16463 1
246 . 1 1 22 22 ASN C C 13 174.942 . . . . . . 22 N C' . 16463 1
247 . 1 1 22 22 ASN CA C 13 53.148 . . 1 . . . 22 N CA . 16463 1
248 . 1 1 22 22 ASN CB C 13 42.681 . . 1 . . . 22 N CB . 16463 1
249 . 1 1 22 22 ASN HA H 1 5.819 . . 1 . . . 22 N HA . 16463 1
250 . 1 1 22 22 ASN HB2 H 1 3.000 . . 2 . . . 22 N HB2 . 16463 1
251 . 1 1 22 22 ASN HB3 H 1 2.872 . . 2 . . . 22 N HB3 . 16463 1
252 . 1 1 22 22 ASN HD21 H 1 7.152 . . 2 . . . 22 N HD21 . 16463 1
253 . 1 1 22 22 ASN HD22 H 1 7.080 . . 2 . . . 22 N HD22 . 16463 1
254 . 1 1 22 22 ASN H H 1 9.006 . . 1 . . . 22 N HN . 16463 1
255 . 1 1 22 22 ASN N N 15 123.990 . . 1 . . . 22 N N . 16463 1
256 . 1 1 22 22 ASN ND2 N 15 114.474 . . 1 . . . 22 N ND2 . 16463 1
257 . 1 1 23 23 CYS C C 13 170.983 . . . . . . 23 C C' . 16463 1
258 . 1 1 23 23 CYS CA C 13 55.907 . . 1 . . . 23 C CA . 16463 1
259 . 1 1 23 23 CYS CB C 13 48.489 . . 1 . . . 23 C CB . 16463 1
260 . 1 1 23 23 CYS HA H 1 5.234 . . 1 . . . 23 C HA . 16463 1
261 . 1 1 23 23 CYS HB2 H 1 3.290 . . 2 . . . 23 C HB2 . 16463 1
262 . 1 1 23 23 CYS HB3 H 1 2.896 . . 2 . . . 23 C HB3 . 16463 1
263 . 1 1 23 23 CYS H H 1 9.470 . . 1 . . . 23 C HN . 16463 1
264 . 1 1 23 23 CYS N N 15 122.985 . . 1 . . . 23 C N . 16463 1
265 . 1 1 24 24 LYS C C 13 175.665 . . . . . . 24 K C' . 16463 1
266 . 1 1 24 24 LYS CA C 13 53.796 . . 1 . . . 24 K CA . 16463 1
267 . 1 1 24 24 LYS CB C 13 36.441 . . 1 . . . 24 K CB . 16463 1
268 . 1 1 24 24 LYS CD C 13 29.347 . . 1 . . . 24 K CD . 16463 1
269 . 1 1 24 24 LYS CE C 13 42.034 . . 1 . . . 24 K CE . 16463 1
270 . 1 1 24 24 LYS CG C 13 24.603 . . 1 . . . 24 K CG . 16463 1
271 . 1 1 24 24 LYS HA H 1 5.938 . . 1 . . . 24 K HA . 16463 1
272 . 1 1 24 24 LYS HB2 H 1 1.898 . . 2 . . . 24 K HB2 . 16463 1
273 . 1 1 24 24 LYS HB3 H 1 1.740 . . 2 . . . 24 K HB3 . 16463 1
274 . 1 1 24 24 LYS HD2 H 1 1.697 . . 2 . . . 24 K HD2 . 16463 1
275 . 1 1 24 24 LYS HD3 H 1 1.697 . . 2 . . . 24 K HD3 . 16463 1
276 . 1 1 24 24 LYS HE2 H 1 2.989 . . 2 . . . 24 K HE2 . 16463 1
277 . 1 1 24 24 LYS HE3 H 1 2.989 . . 2 . . . 24 K HE3 . 16463 1
278 . 1 1 24 24 LYS HG2 H 1 1.563 . . 2 . . . 24 K HG2 . 16463 1
279 . 1 1 24 24 LYS HG3 H 1 1.501 . . 2 . . . 24 K HG3 . 16463 1
280 . 1 1 24 24 LYS H H 1 9.192 . . 1 . . . 24 K HN . 16463 1
281 . 1 1 24 24 LYS N N 15 130.933 . . 1 . . . 24 K N . 16463 1
282 . 1 1 25 25 SER C C 13 176.219 . . . . . . 25 S C' . 16463 1
283 . 1 1 25 25 SER CA C 13 56.054 . . 1 . . . 25 S CA . 16463 1
284 . 1 1 25 25 SER CB C 13 67.132 . . 1 . . . 25 S CB . 16463 1
285 . 1 1 25 25 SER HA H 1 5.527 . . 1 . . . 25 S HA . 16463 1
286 . 1 1 25 25 SER HB2 H 1 3.969 . . 2 . . . 25 S HB2 . 16463 1
287 . 1 1 25 25 SER HB3 H 1 3.551 . . 2 . . . 25 S HB3 . 16463 1
288 . 1 1 25 25 SER H H 1 9.304 . . 1 . . . 25 S HN . 16463 1
289 . 1 1 25 25 SER N N 15 120.119 . . 1 . . . 25 S N . 16463 1
290 . 1 1 26 26 SER C C 13 173.799 . . . . . . 26 S C' . 16463 1
291 . 1 1 26 26 SER CA C 13 60.744 . . 1 . . . 26 S CA . 16463 1
292 . 1 1 26 26 SER CB C 13 62.786 . . 1 . . . 26 S CB . 16463 1
293 . 1 1 26 26 SER HA H 1 4.146 . . 1 . . . 26 S HA . 16463 1
294 . 1 1 26 26 SER HB2 H 1 3.479 . . 2 . . . 26 S HB2 . 16463 1
295 . 1 1 26 26 SER HB3 H 1 3.316 . . 2 . . . 26 S HB3 . 16463 1
296 . 1 1 26 26 SER H H 1 8.503 . . 1 . . . 26 S HN . 16463 1
297 . 1 1 26 26 SER N N 15 117.229 . . 1 . . . 26 S N . 16463 1
298 . 1 1 27 27 GLN C C 13 174.372 . . . . . . 27 Q C' . 16463 1
299 . 1 1 27 27 GLN CA C 13 53.637 . . 1 . . . 27 Q CA . 16463 1
300 . 1 1 27 27 GLN CB C 13 33.137 . . 1 . . . 27 Q CB . 16463 1
301 . 1 1 27 27 GLN CG C 13 33.562 . . 1 . . . 27 Q CG . 16463 1
302 . 1 1 27 27 GLN HA H 1 4.529 . . 1 . . . 27 Q HA . 16463 1
303 . 1 1 27 27 GLN HB2 H 1 2.088 . . 2 . . . 27 Q HB2 . 16463 1
304 . 1 1 27 27 GLN HB3 H 1 1.755 . . 2 . . . 27 Q HB3 . 16463 1
305 . 1 1 27 27 GLN HE21 H 1 7.767 . . 2 . . . 27 Q HE21 . 16463 1
306 . 1 1 27 27 GLN HE22 H 1 7.007 . . 2 . . . 27 Q HE22 . 16463 1
307 . 1 1 27 27 GLN HG2 H 1 2.314 . . 2 . . . 27 Q HG2 . 16463 1
308 . 1 1 27 27 GLN HG3 H 1 2.222 . . 2 . . . 27 Q HG3 . 16463 1
309 . 1 1 27 27 GLN H H 1 7.314 . . 1 . . . 27 Q HN . 16463 1
310 . 1 1 27 27 GLN N N 15 117.643 . . 1 . . . 27 Q N . 16463 1
311 . 1 1 27 27 GLN NE2 N 15 111.127 . . 1 . . . 27 Q NE2 . 16463 1
312 . 1 1 28 28 SER C C 13 175.425 . . . . . . 27a S C' . 16463 1
313 . 1 1 28 28 SER CA C 13 58.249 . . 1 . . . 27a S CA . 16463 1
314 . 1 1 28 28 SER CB C 13 62.928 . . 1 . . . 27a S CB . 16463 1
315 . 1 1 28 28 SER HA H 1 3.931 . . 1 . . . 27a S HA . 16463 1
316 . 1 1 28 28 SER HB3 H 1 3.732 . . 2 . . . 27a S HB3 . 16463 1
317 . 1 1 28 28 SER H H 1 8.788 . . 1 . . . 27a S HN . 16463 1
318 . 1 1 28 28 SER N N 15 118.302 . . 1 . . . 27a S N . 16463 1
319 . 1 1 29 29 VAL C C 13 173.796 . . . . . . 27b V C' . 16463 1
320 . 1 1 29 29 VAL CA C 13 59.387 . . 1 . . . 27b V CA . 16463 1
321 . 1 1 29 29 VAL CB C 13 30.464 . . 1 . . . 27b V CB . 16463 1
322 . 1 1 29 29 VAL CG1 C 13 20.766 . . 2 . . . 27b V CG1 . 16463 1
323 . 1 1 29 29 VAL CG2 C 13 19.553 . . 2 . . . 27b V CG2 . 16463 1
324 . 1 1 29 29 VAL HA H 1 3.785 . . 1 . . . 27b V HA . 16463 1
325 . 1 1 29 29 VAL HB H 1 2.331 . . 1 . . . 27b V HB . 16463 1
326 . 1 1 29 29 VAL HG13 H 1 0.771 . . 2 . . . 27b V HG1 . 16463 1
327 . 1 1 29 29 VAL HG11 H 1 0.771 . . 2 . . . 27b V HG1 . 16463 1
328 . 1 1 29 29 VAL HG12 H 1 0.771 . . 2 . . . 27b V HG1 . 16463 1
329 . 1 1 29 29 VAL HG22 H 1 0.840 . . 2 . . . 27b V HG2 . 16463 1
330 . 1 1 29 29 VAL HG21 H 1 0.840 . . 2 . . . 27b V HG2 . 16463 1
331 . 1 1 29 29 VAL HG23 H 1 0.840 . . 2 . . . 27b V HG2 . 16463 1
332 . 1 1 29 29 VAL H H 1 8.273 . . 1 . . . 27b V HN . 16463 1
333 . 1 1 29 29 VAL N N 15 118.921 . . 1 . . . 27b V N . 16463 1
334 . 1 1 30 30 LEU C C 13 175.730 . . . . . . 27c L C' . 16463 1
335 . 1 1 30 30 LEU CA C 13 54.219 . . 1 . . . 27c L CA . 16463 1
336 . 1 1 30 30 LEU CB C 13 42.747 . . 1 . . . 27c L CB . 16463 1
337 . 1 1 30 30 LEU CD1 C 13 25.709 . . 2 . . . 27c L CD1 . 16463 1
338 . 1 1 30 30 LEU CD2 C 13 23.146 . . 2 . . . 27c L CD2 . 16463 1
339 . 1 1 30 30 LEU CG C 13 27.266 . . 1 . . . 27c L CG . 16463 1
340 . 1 1 30 30 LEU HA H 1 4.758 . . 1 . . . 27c L HA . 16463 1
341 . 1 1 30 30 LEU HB3 H 1 1.526 . . 2 . . . 27c L HB3 . 16463 1
342 . 1 1 30 30 LEU HD12 H 1 0.784 . . 2 . . . 27c L HD1 . 16463 1
343 . 1 1 30 30 LEU HD13 H 1 0.784 . . 2 . . . 27c L HD1 . 16463 1
344 . 1 1 30 30 LEU HD11 H 1 0.784 . . 2 . . . 27c L HD1 . 16463 1
345 . 1 1 30 30 LEU HD21 H 1 0.671 . . 2 . . . 27c L HD2 . 16463 1
346 . 1 1 30 30 LEU HD22 H 1 0.671 . . 2 . . . 27c L HD2 . 16463 1
347 . 1 1 30 30 LEU HD23 H 1 0.671 . . 2 . . . 27c L HD2 . 16463 1
348 . 1 1 30 30 LEU HG H 1 1.172 . . 1 . . . 27c L HG . 16463 1
349 . 1 1 30 30 LEU H H 1 7.674 . . 1 . . . 27c L HN . 16463 1
350 . 1 1 30 30 LEU N N 15 125.747 . . 1 . . . 27c L N . 16463 1
351 . 1 1 31 31 TYR C C 13 176.582 . . . . . . 27d Y C' . 16463 1
352 . 1 1 31 31 TYR CA C 13 55.236 . . 1 . . . 27d Y CA . 16463 1
353 . 1 1 31 31 TYR CB C 13 39.149 . . 1 . . . 27d Y CB . 16463 1
354 . 1 1 31 31 TYR HA H 1 5.193 . . 1 . . . 27d Y HA . 16463 1
355 . 1 1 31 31 TYR HB3 H 1 3.001 . . 2 . . . 27d Y HB3 . 16463 1
356 . 1 1 31 31 TYR H H 1 9.146 . . 1 . . . 27d Y HN . 16463 1
357 . 1 1 31 31 TYR N N 15 132.647 . . 1 . . . 27d Y N . 16463 1
358 . 1 1 32 32 SER C C 13 173.124 . . . . . . 27e S C' . 16463 1
359 . 1 1 32 32 SER CA C 13 59.728 . . 1 . . . 27e S CA . 16463 1
360 . 1 1 32 32 SER CB C 13 61.874 . . 1 . . . 27e S CB . 16463 1
361 . 1 1 32 32 SER HA H 1 3.909 . . 1 . . . 27e S HA . 16463 1
362 . 1 1 32 32 SER HB2 H 1 4.088 . . 2 . . . 27e S HB2 . 16463 1
363 . 1 1 32 32 SER HB3 H 1 4.025 . . 2 . . . 27e S HB3 . 16463 1
364 . 1 1 32 32 SER H H 1 8.195 . . 1 . . . 27e S HN . 16463 1
365 . 1 1 32 32 SER N N 15 112.525 . . 1 . . . 27e S N . 16463 1
366 . 1 1 33 33 SER C C 13 174.575 . . . . . . 27f S C' . 16463 1
367 . 1 1 33 33 SER CA C 13 60.764 . . 1 . . . 27f S CA . 16463 1
368 . 1 1 33 33 SER CB C 13 62.716 . . 1 . . . 27f S CB . 16463 1
369 . 1 1 33 33 SER HA H 1 4.088 . . 1 . . . 27f S HA . 16463 1
370 . 1 1 33 33 SER HB3 H 1 3.316 . . 2 . . . 27f S HB3 . 16463 1
371 . 1 1 33 33 SER H H 1 6.716 . . 1 . . . 27f S HN . 16463 1
372 . 1 1 33 33 SER N N 15 113.631 . . 1 . . . 27f S N . 16463 1
373 . 1 1 34 34 ASN C C 13 175.013 . . . . . . 28 N C' . 16463 1
374 . 1 1 34 34 ASN CA C 13 51.752 . . 1 . . . 28 N CA . 16463 1
375 . 1 1 34 34 ASN CB C 13 39.048 . . 1 . . . 28 N CB . 16463 1
376 . 1 1 34 34 ASN HA H 1 4.895 . . 1 . . . 28 N HA . 16463 1
377 . 1 1 34 34 ASN HB2 H 1 3.114 . . 2 . . . 28 N HB2 . 16463 1
378 . 1 1 34 34 ASN HB3 H 1 2.736 . . 2 . . . 28 N HB3 . 16463 1
379 . 1 1 34 34 ASN HD21 H 1 7.396 . . 2 . . . 28 N HD21 . 16463 1
380 . 1 1 34 34 ASN HD22 H 1 7.102 . . 2 . . . 28 N HD22 . 16463 1
381 . 1 1 34 34 ASN H H 1 6.914 . . 1 . . . 28 N HN . 16463 1
382 . 1 1 34 34 ASN N N 15 114.555 . . 1 . . . 28 N N . 16463 1
383 . 1 1 34 34 ASN ND2 N 15 108.617 . . 1 . . . 28 N ND2 . 16463 1
384 . 1 1 35 35 SER C C 13 176.537 . . . . . . 29 S C' . 16463 1
385 . 1 1 35 35 SER CA C 13 61.490 . . 1 . . . 29 S CA . 16463 1
386 . 1 1 35 35 SER CB C 13 62.771 . . 1 . . . 29 S CB . 16463 1
387 . 1 1 35 35 SER HA H 1 4.011 . . 1 . . . 29 S HA . 16463 1
388 . 1 1 35 35 SER HB3 H 1 3.898 . . 2 . . . 29 S HB3 . 16463 1
389 . 1 1 35 35 SER H H 1 9.009 . . 1 . . . 29 S HN . 16463 1
390 . 1 1 35 35 SER N N 15 124.924 . . 1 . . . 29 S N . 16463 1
391 . 1 1 36 36 LYS C C 13 175.338 . . . . . . 30 K C' . 16463 1
392 . 1 1 36 36 LYS CA C 13 55.240 . . 1 . . . 30 K CA . 16463 1
393 . 1 1 36 36 LYS CB C 13 35.106 . . 1 . . . 30 K CB . 16463 1
394 . 1 1 36 36 LYS CD C 13 27.888 . . 1 . . . 30 K CD . 16463 1
395 . 1 1 36 36 LYS CE C 13 41.894 . . 1 . . . 30 K CE . 16463 1
396 . 1 1 36 36 LYS CG C 13 25.086 . . 1 . . . 30 K CG . 16463 1
397 . 1 1 36 36 LYS HA H 1 4.519 . . 1 . . . 30 K HA . 16463 1
398 . 1 1 36 36 LYS HB2 H 1 1.598 . . 2 . . . 30 K HB2 . 16463 1
399 . 1 1 36 36 LYS HB3 H 1 1.215 . . 2 . . . 30 K HB3 . 16463 1
400 . 1 1 36 36 LYS HD2 H 1 0.419 . . 2 . . . 30 K HD2 . 16463 1
401 . 1 1 36 36 LYS HD3 H 1 -0.011 . . 2 . . . 30 K HD3 . 16463 1
402 . 1 1 36 36 LYS HE2 H 1 2.102 . . 2 . . . 30 K HE2 . 16463 1
403 . 1 1 36 36 LYS HE3 H 1 2.102 . . 2 . . . 30 K HE3 . 16463 1
404 . 1 1 36 36 LYS HG2 H 1 0.812 . . 2 . . . 30 K HG2 . 16463 1
405 . 1 1 36 36 LYS HG3 H 1 0.812 . . 2 . . . 30 K HG3 . 16463 1
406 . 1 1 36 36 LYS H H 1 8.020 . . 1 . . . 30 K HN . 16463 1
407 . 1 1 36 36 LYS N N 15 118.954 . . 1 . . . 30 K N . 16463 1
408 . 1 1 37 37 ASN C C 13 176.308 . . . . . . 31 N C' . 16463 1
409 . 1 1 37 37 ASN CA C 13 53.053 . . 1 . . . 31 N CA . 16463 1
410 . 1 1 37 37 ASN CB C 13 42.375 . . 1 . . . 31 N CB . 16463 1
411 . 1 1 37 37 ASN HA H 1 5.470 . . 1 . . . 31 N HA . 16463 1
412 . 1 1 37 37 ASN HB2 H 1 2.848 . . 2 . . . 31 N HB2 . 16463 1
413 . 1 1 37 37 ASN HB3 H 1 2.141 . . 2 . . . 31 N HB3 . 16463 1
414 . 1 1 37 37 ASN H H 1 9.040 . . 1 . . . 31 N HN . 16463 1
415 . 1 1 37 37 ASN N N 15 121.006 . . 1 . . . 31 N N . 16463 1
416 . 1 1 38 38 TYR C C 13 172.806 . . . . . . 32 Y C' . 16463 1
417 . 1 1 38 38 TYR CA C 13 57.068 . . 1 . . . 32 Y CA . 16463 1
418 . 1 1 38 38 TYR CB C 13 35.403 . . 1 . . . 32 Y CB . 16463 1
419 . 1 1 38 38 TYR HA H 1 3.726 . . 1 . . . 32 Y HA . 16463 1
420 . 1 1 38 38 TYR HB2 H 1 2.900 . . 2 . . . 32 Y HB2 . 16463 1
421 . 1 1 38 38 TYR HB3 H 1 1.740 . . 2 . . . 32 Y HB3 . 16463 1
422 . 1 1 38 38 TYR H H 1 9.156 . . 1 . . . 32 Y HN . 16463 1
423 . 1 1 38 38 TYR N N 15 131.658 . . 1 . . . 32 Y N . 16463 1
424 . 1 1 39 39 LEU C C 13 175.401 . . . . . . 33 L C' . 16463 1
425 . 1 1 39 39 LEU CA C 13 51.365 . . 1 . . . 33 L CA . 16463 1
426 . 1 1 39 39 LEU CB C 13 45.689 . . 1 . . . 33 L CB . 16463 1
427 . 1 1 39 39 LEU CD2 C 13 22.604 . . . . . . 33 L CD . 16463 1
428 . 1 1 39 39 LEU CD1 C 13 22.604 . . . . . . 33 L CD . 16463 1
429 . 1 1 39 39 LEU CD2 C 13 22.341 . . 2 . . . 33 L CD2 . 16463 1
430 . 1 1 39 39 LEU CG C 13 25.338 . . 1 . . . 33 L CG . 16463 1
431 . 1 1 39 39 LEU HA H 1 4.674 . . 1 . . . 33 L HA . 16463 1
432 . 1 1 39 39 LEU HB2 H 1 0.806 . . 2 . . . 33 L HB2 . 16463 1
433 . 1 1 39 39 LEU HB3 H 1 0.472 . . 2 . . . 33 L HB3 . 16463 1
434 . 1 1 39 39 LEU HD11 H 1 0.097 . . 2 . . . 33 L HD1 . 16463 1
435 . 1 1 39 39 LEU HD12 H 1 0.097 . . 2 . . . 33 L HD1 . 16463 1
436 . 1 1 39 39 LEU HD13 H 1 0.097 . . 2 . . . 33 L HD1 . 16463 1
437 . 1 1 39 39 LEU HD21 H 1 -0.065 . . 2 . . . 33 L HD2 . 16463 1
438 . 1 1 39 39 LEU HD23 H 1 -0.065 . . 2 . . . 33 L HD2 . 16463 1
439 . 1 1 39 39 LEU HD22 H 1 -0.065 . . 2 . . . 33 L HD2 . 16463 1
440 . 1 1 39 39 LEU HG H 1 -0.416 . . 1 . . . 33 L HG . 16463 1
441 . 1 1 39 39 LEU H H 1 7.230 . . 1 . . . 33 L HN . 16463 1
442 . 1 1 39 39 LEU N N 15 125.207 . . 1 . . . 33 L N . 16463 1
443 . 1 1 40 40 ALA C C 13 175.238 . . . . . . 34 A C' . 16463 1
444 . 1 1 40 40 ALA CA C 13 49.497 . . 1 . . . 34 A CA . 16463 1
445 . 1 1 40 40 ALA CB C 13 23.811 . . 1 . . . 34 A CB . 16463 1
446 . 1 1 40 40 ALA HA H 1 5.390 . . 1 . . . 34 A HA . 16463 1
447 . 1 1 40 40 ALA HB3 H 1 1.345 . . 1 . . . 34 A HB . 16463 1
448 . 1 1 40 40 ALA HB2 H 1 1.345 . . 1 . . . 34 A HB . 16463 1
449 . 1 1 40 40 ALA HB1 H 1 1.345 . . 1 . . . 34 A HB . 16463 1
450 . 1 1 40 40 ALA H H 1 9.360 . . 1 . . . 34 A HN . 16463 1
451 . 1 1 40 40 ALA N N 15 130.417 . . 1 . . . 34 A N . 16463 1
452 . 1 1 41 41 TRP C C 13 175.604 . . . . . . 35 W C' . 16463 1
453 . 1 1 41 41 TRP CA C 13 56.009 . . 1 . . . 35 W CA . 16463 1
454 . 1 1 41 41 TRP CB C 13 33.575 . . 1 . . . 35 W CB . 16463 1
455 . 1 1 41 41 TRP HA H 1 5.627 . . 1 . . . 35 W HA . 16463 1
456 . 1 1 41 41 TRP HB2 H 1 3.156 . . 2 . . . 35 W HB2 . 16463 1
457 . 1 1 41 41 TRP HB3 H 1 2.782 . . 2 . . . 35 W HB3 . 16463 1
458 . 1 1 41 41 TRP H H 1 8.916 . . 1 . . . 35 W HN . 16463 1
459 . 1 1 41 41 TRP N N 15 117.533 . . 1 . . . 35 W N . 16463 1
460 . 1 1 42 42 TYR C C 13 174.433 . . . . . . 36 Y C' . 16463 1
461 . 1 1 42 42 TYR CA C 13 56.997 . . 1 . . . 36 Y CA . 16463 1
462 . 1 1 42 42 TYR CB C 13 43.352 . . 1 . . . 36 Y CB . 16463 1
463 . 1 1 42 42 TYR HA H 1 5.334 . . 1 . . . 36 Y HA . 16463 1
464 . 1 1 42 42 TYR HB2 H 1 2.698 . . 2 . . . 36 Y HB2 . 16463 1
465 . 1 1 42 42 TYR HB3 H 1 2.698 . . 2 . . . 36 Y HB3 . 16463 1
466 . 1 1 42 42 TYR H H 1 10.116 . . 1 . . . 36 Y HN . 16463 1
467 . 1 1 42 42 TYR N N 15 121.047 . . 1 . . . 36 Y N . 16463 1
468 . 1 1 43 43 GLN C C 13 173.808 . . . . . . 37 Q C' . 16463 1
469 . 1 1 43 43 GLN CA C 13 53.989 . . 1 . . . 37 Q CA . 16463 1
470 . 1 1 43 43 GLN CB C 13 34.623 . . 1 . . . 37 Q CB . 16463 1
471 . 1 1 43 43 GLN CG C 13 35.719 . . 1 . . . 37 Q CG . 16463 1
472 . 1 1 43 43 GLN HA H 1 4.397 . . 1 . . . 37 Q HA . 16463 1
473 . 1 1 43 43 GLN HB2 H 1 2.133 . . 2 . . . 37 Q HB2 . 16463 1
474 . 1 1 43 43 GLN HB3 H 1 2.133 . . 2 . . . 37 Q HB3 . 16463 1
475 . 1 1 43 43 GLN HG2 H 1 1.472 . . 2 . . . 37 Q HG2 . 16463 1
476 . 1 1 43 43 GLN HG3 H 1 1.472 . . 2 . . . 37 Q HG3 . 16463 1
477 . 1 1 43 43 GLN H H 1 9.448 . . 1 . . . 37 Q HN . 16463 1
478 . 1 1 43 43 GLN N N 15 123.091 . . 1 . . . 37 Q N . 16463 1
479 . 1 1 44 44 GLN C C 13 175.020 . . . . . . 38 Q C' . 16463 1
480 . 1 1 44 44 GLN CA C 13 54.636 . . 1 . . . 38 Q CA . 16463 1
481 . 1 1 44 44 GLN CB C 13 31.639 . . 1 . . . 38 Q CB . 16463 1
482 . 1 1 44 44 GLN HA H 1 4.892 . . 1 . . . 38 Q HA . 16463 1
483 . 1 1 44 44 GLN HB2 H 1 2.558 . . 2 . . . 38 Q HB . 16463 1
484 . 1 1 44 44 GLN HB3 H 1 2.558 . . 2 . . . 38 Q HB . 16463 1
485 . 1 1 44 44 GLN H H 1 9.687 . . 1 . . . 38 Q HN . 16463 1
486 . 1 1 44 44 GLN N N 15 130.646 . . 1 . . . 38 Q N . 16463 1
487 . 1 1 45 45 LYS CA C 13 55.264 . . 1 . . . 39 K CA . 16463 1
488 . 1 1 45 45 LYS CB C 13 31.610 . . 1 . . . 39 K CB . 16463 1
489 . 1 1 45 45 LYS CD C 13 29.371 . . 1 . . . 39 K CD . 16463 1
490 . 1 1 45 45 LYS CE C 13 41.865 . . 1 . . . 39 K CE . 16463 1
491 . 1 1 45 45 LYS CG C 13 26.575 . . 1 . . . 39 K CG . 16463 1
492 . 1 1 45 45 LYS HA H 1 4.583 . . 1 . . . 39 K HA . 16463 1
493 . 1 1 45 45 LYS HB2 H 1 2.007 . . 2 . . . 39 K HB2 . 16463 1
494 . 1 1 45 45 LYS HB3 H 1 1.412 . . 2 . . . 39 K HB3 . 16463 1
495 . 1 1 45 45 LYS HE2 H 1 3.125 . . 2 . . . 39 K HE2 . 16463 1
496 . 1 1 45 45 LYS HE3 H 1 2.930 . . 2 . . . 39 K HE3 . 16463 1
497 . 1 1 45 45 LYS HG2 H 1 1.386 . . 2 . . . 39 K HG2 . 16463 1
498 . 1 1 45 45 LYS HG3 H 1 1.386 . . 2 . . . 39 K HG3 . 16463 1
499 . 1 1 45 45 LYS H H 1 9.017 . . 1 . . . 39 K HN . 16463 1
500 . 1 1 45 45 LYS N N 15 133.005 . . 1 . . . 39 K N . 16463 1
501 . 1 1 46 46 PRO C C 13 178.624 . . . . . . 40 P C' . 16463 1
502 . 1 1 46 46 PRO CA C 13 64.219 . . 1 . . . 40 P CA . 16463 1
503 . 1 1 46 46 PRO CB C 13 31.650 . . 1 . . . 40 P CB . 16463 1
504 . 1 1 46 46 PRO CD C 13 50.528 . . 1 . . . 40 P CD . 16463 1
505 . 1 1 46 46 PRO CG C 13 27.945 . . 1 . . . 40 P CG . 16463 1
506 . 1 1 46 46 PRO HA H 1 4.461 . . 1 . . . 40 P HA . 16463 1
507 . 1 1 46 46 PRO HB2 H 1 2.378 . . 2 . . . 40 P HB2 . 16463 1
508 . 1 1 46 46 PRO HB3 H 1 1.976 . . 2 . . . 40 P HB3 . 16463 1
509 . 1 1 46 46 PRO HD2 H 1 3.931 . . 2 . . . 40 P HD2 . 16463 1
510 . 1 1 46 46 PRO HD3 H 1 3.681 . . 2 . . . 40 P HD3 . 16463 1
511 . 1 1 46 46 PRO HG2 H 1 2.206 . . 2 . . . 40 P HG2 . 16463 1
512 . 1 1 46 46 PRO HG3 H 1 2.091 . . 2 . . . 40 P HG3 . 16463 1
513 . 1 1 47 47 GLY C C 13 173.660 . . . . . . 41 G C' . 16463 1
514 . 1 1 47 47 GLY CA C 13 45.947 . . 1 . . . 41 G CA . 16463 1
515 . 1 1 47 47 GLY HA2 H 1 4.264 . . 2 . . . 41 G HA2 . 16463 1
516 . 1 1 47 47 GLY HA3 H 1 4.005 . . 2 . . . 41 G HA3 . 16463 1
517 . 1 1 47 47 GLY H H 1 9.015 . . 1 . . . 41 G HN . 16463 1
518 . 1 1 47 47 GLY N N 15 113.514 . . 1 . . . 41 G N . 16463 1
519 . 1 1 48 48 GLN CA C 13 53.203 . . 1 . . . 42 Q CA . 16463 1
520 . 1 1 48 48 GLN CB C 13 29.993 . . 1 . . . 42 Q CB . 16463 1
521 . 1 1 48 48 GLN CG C 13 32.919 . . 1 . . . 42 Q CG . 16463 1
522 . 1 1 48 48 GLN HA H 1 5.154 . . 1 . . . 42 Q HA . 16463 1
523 . 1 1 48 48 GLN HB2 H 1 2.177 . . 2 . . . 42 Q HB2 . 16463 1
524 . 1 1 48 48 GLN HB3 H 1 1.885 . . 2 . . . 42 Q HB3 . 16463 1
525 . 1 1 48 48 GLN HG2 H 1 2.353 . . 2 . . . 42 Q HG2 . 16463 1
526 . 1 1 48 48 GLN HG3 H 1 2.353 . . 2 . . . 42 Q HG3 . 16463 1
527 . 1 1 48 48 GLN H H 1 7.942 . . 1 . . . 42 Q HN . 16463 1
528 . 1 1 48 48 GLN N N 15 118.583 . . 1 . . . 42 Q N . 16463 1
529 . 1 1 49 49 PRO C C 13 175.796 . . . . . . 44 P C' . 16463 1
530 . 1 1 49 49 PRO CA C 13 62.439 . . 1 . . . 44 P CA . 16463 1
531 . 1 1 49 49 PRO CB C 13 31.015 . . 1 . . . 44 P CB . 16463 1
532 . 1 1 49 49 PRO CD C 13 48.607 . . 1 . . . 44 P CD . 16463 1
533 . 1 1 49 49 PRO CG C 13 26.983 . . 1 . . . 44 P CG . 16463 1
534 . 1 1 49 49 PRO HA H 1 4.331 . . 1 . . . 44 P HA . 16463 1
535 . 1 1 49 49 PRO HB2 H 1 1.782 . . 2 . . . 44 P HB2 . 16463 1
536 . 1 1 49 49 PRO HB3 H 1 1.571 . . 2 . . . 44 P HB3 . 16463 1
537 . 1 1 49 49 PRO HD2 H 1 2.539 . . 2 . . . 44 P HD2 . 16463 1
538 . 1 1 49 49 PRO HD3 H 1 2.194 . . 2 . . . 44 P HD3 . 16463 1
539 . 1 1 49 49 PRO HG2 H 1 1.382 . . 2 . . . 44 P HG2 . 16463 1
540 . 1 1 49 49 PRO HG3 H 1 1.246 . . 2 . . . 44 P HG3 . 16463 1
541 . 1 1 51 51 LYS C C 13 175.789 . . . . . . 45 K C' . 16463 1
542 . 1 1 51 51 LYS CA C 13 54.126 . . 1 . . . 45 K CA . 16463 1
543 . 1 1 51 51 LYS CB C 13 35.594 . . 1 . . . 45 K CB . 16463 1
544 . 1 1 51 51 LYS CD C 13 28.528 . . 1 . . . 45 K CD . 16463 1
545 . 1 1 51 51 LYS CE C 13 41.787 . . 1 . . . 45 K CE . 16463 1
546 . 1 1 51 51 LYS CG C 13 24.441 . . 1 . . . 45 K CG . 16463 1
547 . 1 1 51 51 LYS HA H 1 4.644 . . 1 . . . 45 K HA . 16463 1
548 . 1 1 51 51 LYS HB2 H 1 1.878 . . 2 . . . 45 K HB2 . 16463 1
549 . 1 1 51 51 LYS HB3 H 1 1.751 . . 2 . . . 45 K HB3 . 16463 1
550 . 1 1 51 51 LYS HD2 H 1 1.511 . . 2 . . . 45 K HD2 . 16463 1
551 . 1 1 51 51 LYS HD3 H 1 1.431 . . 2 . . . 45 K HD3 . 16463 1
552 . 1 1 51 51 LYS HE2 H 1 2.472 . . 2 . . . 45 K HE2 . 16463 1
553 . 1 1 51 51 LYS HE3 H 1 2.472 . . 2 . . . 45 K HE3 . 16463 1
554 . 1 1 51 51 LYS HG2 H 1 1.373 . . 2 . . . 45 K HG2 . 16463 1
555 . 1 1 51 51 LYS HG3 H 1 1.120 . . 2 . . . 45 K HG3 . 16463 1
556 . 1 1 51 51 LYS H H 1 8.832 . . 1 . . . 45 K HN . 16463 1
557 . 1 1 51 51 LYS N N 15 123.690 . . 1 . . . 45 K N . 16463 1
558 . 1 1 52 52 LEU C C 13 174.840 . . . . . . 46 L C' . 16463 1
559 . 1 1 52 52 LEU CA C 13 56.546 . . 1 . . . 46 L CA . 16463 1
560 . 1 1 52 52 LEU CB C 13 42.275 . . 1 . . . 46 L CB . 16463 1
561 . 1 1 52 52 LEU CD1 C 13 25.456 . . 2 . . . 46 L CD1 . 16463 1
562 . 1 1 52 52 LEU CD2 C 13 23.187 . . 2 . . . 46 L CD2 . 16463 1
563 . 1 1 52 52 LEU CG C 13 26.658 . . 1 . . . 46 L CG . 16463 1
564 . 1 1 52 52 LEU HA H 1 3.229 . . 1 . . . 46 L HA . 16463 1
565 . 1 1 52 52 LEU HB2 H 1 1.719 . . 2 . . . 46 L HB2 . 16463 1
566 . 1 1 52 52 LEU HB3 H 1 1.291 . . 2 . . . 46 L HB3 . 16463 1
567 . 1 1 52 52 LEU HD12 H 1 0.682 . . 2 . . . 46 L HD1 . 16463 1
568 . 1 1 52 52 LEU HD11 H 1 0.682 . . 2 . . . 46 L HD1 . 16463 1
569 . 1 1 52 52 LEU HD13 H 1 0.682 . . 2 . . . 46 L HD1 . 16463 1
570 . 1 1 52 52 LEU HD23 H 1 0.407 . . 2 . . . 46 L HD2 . 16463 1
571 . 1 1 52 52 LEU HD22 H 1 0.407 . . 2 . . . 46 L HD2 . 16463 1
572 . 1 1 52 52 LEU HD21 H 1 0.407 . . 2 . . . 46 L HD2 . 16463 1
573 . 1 1 52 52 LEU HG H 1 1.088 . . 1 . . . 46 L HG . 16463 1
574 . 1 1 52 52 LEU H H 1 8.953 . . 1 . . . 46 L HN . 16463 1
575 . 1 1 52 52 LEU N N 15 128.650 . . 1 . . . 46 L N . 16463 1
576 . 1 1 53 53 LEU C C 13 176.155 . . . . . . 47 L C' . 16463 1
577 . 1 1 53 53 LEU CA C 13 54.853 . . 1 . . . 47 L CA . 16463 1
578 . 1 1 53 53 LEU CB C 13 46.653 . . 1 . . . 47 L CB . 16463 1
579 . 1 1 53 53 LEU CD1 C 13 23.463 . . 2 . . . 47 L CD1 . 16463 1
580 . 1 1 53 53 LEU CD2 C 13 23.463 . . 2 . . . 47 L CD2 . 16463 1
581 . 1 1 53 53 LEU CG C 13 26.357 . . 1 . . . 47 L CG . 16463 1
582 . 1 1 53 53 LEU HA H 1 4.672 . . 1 . . . 47 L HA . 16463 1
583 . 1 1 53 53 LEU HB2 H 1 1.488 . . 2 . . . 47 L HB2 . 16463 1
584 . 1 1 53 53 LEU HB3 H 1 1.261 . . 2 . . . 47 L HB3 . 16463 1
585 . 1 1 53 53 LEU HD13 H 1 0.432 . . 2 . . . 47 L HD1 . 16463 1
586 . 1 1 53 53 LEU HD12 H 1 0.432 . . 2 . . . 47 L HD1 . 16463 1
587 . 1 1 53 53 LEU HD11 H 1 0.432 . . 2 . . . 47 L HD1 . 16463 1
588 . 1 1 53 53 LEU HD22 H 1 0.432 . . 2 . . . 47 L HD2 . 16463 1
589 . 1 1 53 53 LEU HD23 H 1 0.432 . . 2 . . . 47 L HD2 . 16463 1
590 . 1 1 53 53 LEU HD21 H 1 0.432 . . 2 . . . 47 L HD2 . 16463 1
591 . 1 1 53 53 LEU HG H 1 0.554 . . 1 . . . 47 L HG . 16463 1
592 . 1 1 53 53 LEU H H 1 9.008 . . 1 . . . 47 L HN . 16463 1
593 . 1 1 53 53 LEU N N 15 125.534 . . 1 . . . 47 L N . 16463 1
594 . 1 1 54 54 ILE C C 13 173.565 . . . . . . 48 I C' . 16463 1
595 . 1 1 54 54 ILE CA C 13 57.920 . . 1 . . . 48 I CA . 16463 1
596 . 1 1 54 54 ILE CB C 13 44.610 . . 1 . . . 48 I CB . 16463 1
597 . 1 1 54 54 ILE CD1 C 13 12.914 . . 1 . . . 48 I CD1 . 16463 1
598 . 1 1 54 54 ILE CG1 C 13 28.429 . . 1 . . . 48 I CG1 . 16463 1
599 . 1 1 54 54 ILE CG2 C 13 18.296 . . 1 . . . 48 I CG2 . 16463 1
600 . 1 1 54 54 ILE HA H 1 5.123 . . 1 . . . 48 I HA . 16463 1
601 . 1 1 54 54 ILE HB H 1 1.579 . . 1 . . . 48 I HB . 16463 1
602 . 1 1 54 54 ILE HD12 H 1 0.529 . . 1 . . . 48 I HD1 . 16463 1
603 . 1 1 54 54 ILE HD13 H 1 0.529 . . 1 . . . 48 I HD1 . 16463 1
604 . 1 1 54 54 ILE HD11 H 1 0.529 . . 1 . . . 48 I HD1 . 16463 1
605 . 1 1 54 54 ILE HG12 H 1 1.395 . . 2 . . . 48 I HG12 . 16463 1
606 . 1 1 54 54 ILE HG13 H 1 0.924 . . 2 . . . 48 I HG13 . 16463 1
607 . 1 1 54 54 ILE HG23 H 1 0.720 . . 1 . . . 48 I HG2 . 16463 1
608 . 1 1 54 54 ILE HG22 H 1 0.720 . . 1 . . . 48 I HG2 . 16463 1
609 . 1 1 54 54 ILE HG21 H 1 0.720 . . 1 . . . 48 I HG2 . 16463 1
610 . 1 1 54 54 ILE H H 1 7.350 . . 1 . . . 48 I HN . 16463 1
611 . 1 1 54 54 ILE N N 15 118.513 . . 1 . . . 48 I N . 16463 1
612 . 1 1 55 55 TYR C C 13 173.344 . . . . . . 49 Y C' . 16463 1
613 . 1 1 55 55 TYR CA C 13 55.975 . . 1 . . . 49 Y CA . 16463 1
614 . 1 1 55 55 TYR CB C 13 39.037 . . 1 . . . 49 Y CB . 16463 1
615 . 1 1 55 55 TYR HA H 1 5.359 . . 1 . . . 49 Y HA . 16463 1
616 . 1 1 55 55 TYR HB2 H 1 2.592 . . 2 . . . 49 Y HB2 . 16463 1
617 . 1 1 55 55 TYR HB3 H 1 2.592 . . 2 . . . 49 Y HB3 . 16463 1
618 . 1 1 55 55 TYR H H 1 9.381 . . 1 . . . 49 Y HN . 16463 1
619 . 1 1 55 55 TYR N N 15 123.390 . . 1 . . . 49 Y N . 16463 1
620 . 1 1 56 56 TRP C C 13 180.681 . . . . . . 50 W C' . 16463 1
621 . 1 1 56 56 TRP CA C 13 56.638 . . 1 . . . 50 W CA . 16463 1
622 . 1 1 56 56 TRP CB C 13 28.982 . . 1 . . . 50 W CB . 16463 1
623 . 1 1 56 56 TRP HA H 1 5.933 . . 1 . . . 50 W HA . 16463 1
624 . 1 1 56 56 TRP HB2 H 1 3.775 . . 2 . . . 50 W HB2 . 16463 1
625 . 1 1 56 56 TRP HB3 H 1 3.573 . . 2 . . . 50 W HB3 . 16463 1
626 . 1 1 56 56 TRP H H 1 7.654 . . 1 . . . 50 W HN . 16463 1
627 . 1 1 56 56 TRP N N 15 115.198 . . 1 . . . 50 W N . 16463 1
628 . 1 1 57 57 ALA C C 13 178.514 . . . . . . 51 A C' . 16463 1
629 . 1 1 57 57 ALA CA C 13 57.867 . . 1 . . . 51 A CA . 16463 1
630 . 1 1 57 57 ALA CB C 13 20.449 . . 1 . . . 51 A CB . 16463 1
631 . 1 1 57 57 ALA HA H 1 3.636 . . 1 . . . 51 A HA . 16463 1
632 . 1 1 57 57 ALA HB1 H 1 1.892 . . 1 . . . 51 A HB . 16463 1
633 . 1 1 57 57 ALA HB3 H 1 1.892 . . 1 . . . 51 A HB . 16463 1
634 . 1 1 57 57 ALA HB2 H 1 1.892 . . 1 . . . 51 A HB . 16463 1
635 . 1 1 57 57 ALA H H 1 9.185 . . 1 . . . 51 A HN . 16463 1
636 . 1 1 57 57 ALA N N 15 117.923 . . 1 . . . 51 A N . 16463 1
637 . 1 1 58 58 SER C C 13 175.179 . . . . . . 52 S C' . 16463 1
638 . 1 1 58 58 SER CA C 13 58.195 . . 1 . . . 52 S CA . 16463 1
639 . 1 1 58 58 SER CB C 13 66.467 . . 1 . . . 52 S CB . 16463 1
640 . 1 1 58 58 SER HA H 1 4.728 . . 1 . . . 52 S HA . 16463 1
641 . 1 1 58 58 SER HB2 H 1 4.261 . . 2 . . . 52 S HB2 . 16463 1
642 . 1 1 58 58 SER HB3 H 1 3.873 . . 2 . . . 52 S HB3 . 16463 1
643 . 1 1 58 58 SER H H 1 8.560 . . 1 . . . 52 S HN . 16463 1
644 . 1 1 58 58 SER N N 15 113.468 . . 1 . . . 52 S N . 16463 1
645 . 1 1 59 59 THR C C 13 172.528 . . . . . . 53 T C' . 16463 1
646 . 1 1 59 59 THR CA C 13 63.579 . . 1 . . . 53 T CA . 16463 1
647 . 1 1 59 59 THR CB C 13 69.361 . . 1 . . . 53 T CB . 16463 1
648 . 1 1 59 59 THR CG2 C 13 21.948 . . 1 . . . 53 T CG2 . 16463 1
649 . 1 1 59 59 THR HA H 1 4.369 . . 1 . . . 53 T HA . 16463 1
650 . 1 1 59 59 THR HB H 1 3.439 . . 1 . . . 53 T HB . 16463 1
651 . 1 1 59 59 THR HG21 H 1 0.944 . . . . . . 53 T HG2 . 16463 1
652 . 1 1 59 59 THR HG23 H 1 0.944 . . . . . . 53 T HG2 . 16463 1
653 . 1 1 59 59 THR HG22 H 1 0.944 . . . . . . 53 T HG2 . 16463 1
654 . 1 1 59 59 THR H H 1 9.302 . . 1 . . . 53 T HN . 16463 1
655 . 1 1 59 59 THR N N 15 124.905 . . 1 . . . 53 T N . 16463 1
656 . 1 1 60 60 ARG C C 13 176.917 . . . . . . 54 R C' . 16463 1
657 . 1 1 60 60 ARG CA C 13 56.804 . . 1 . . . 54 R CA . 16463 1
658 . 1 1 60 60 ARG CB C 13 31.842 . . 1 . . . 54 R CB . 16463 1
659 . 1 1 60 60 ARG CD C 13 43.531 . . 1 . . . 54 R CD . 16463 1
660 . 1 1 60 60 ARG CG C 13 29.211 . . 1 . . . 54 R CG . 16463 1
661 . 1 1 60 60 ARG HA H 1 4.481 . . 1 . . . 54 R HA . 16463 1
662 . 1 1 60 60 ARG HB2 H 1 1.842 . . 2 . . . 54 R HB2 . 16463 1
663 . 1 1 60 60 ARG HB3 H 1 1.842 . . 2 . . . 54 R HB3 . 16463 1
664 . 1 1 60 60 ARG HD2 H 1 3.685 . . 2 . . . 54 R HD2 . 16463 1
665 . 1 1 60 60 ARG HD3 H 1 3.685 . . 2 . . . 54 R HD3 . 16463 1
666 . 1 1 60 60 ARG HG2 H 1 1.708 . . 2 . . . 54 R HG2 . 16463 1
667 . 1 1 60 60 ARG HG3 H 1 1.467 . . 2 . . . 54 R HG3 . 16463 1
668 . 1 1 60 60 ARG H H 1 8.892 . . 1 . . . 54 R HN . 16463 1
669 . 1 1 60 60 ARG N N 15 128.554 . . 1 . . . 54 R N . 16463 1
670 . 1 1 61 61 GLU C C 13 175.832 . . . . . . 55 E C' . 16463 1
671 . 1 1 61 61 GLU CA C 13 55.366 . . 1 . . . 55 E CA . 16463 1
672 . 1 1 61 61 GLU CB C 13 30.333 . . 1 . . . 55 E CB . 16463 1
673 . 1 1 61 61 GLU CG C 13 35.648 . . 1 . . . 55 E CG . 16463 1
674 . 1 1 61 61 GLU HA H 1 4.832 . . 1 . . . 55 E HA . 16463 1
675 . 1 1 61 61 GLU HB2 H 1 1.910 . . 2 . . . 55 E HB2 . 16463 1
676 . 1 1 61 61 GLU HB3 H 1 1.666 . . 2 . . . 55 E HB3 . 16463 1
677 . 1 1 61 61 GLU HG2 H 1 2.687 . . 2 . . . 55 E HG2 . 16463 1
678 . 1 1 61 61 GLU HG3 H 1 2.225 . . 2 . . . 55 E HG3 . 16463 1
679 . 1 1 61 61 GLU H H 1 8.115 . . 1 . . . 55 E HN . 16463 1
680 . 1 1 61 61 GLU N N 15 125.534 . . 1 . . . 55 E N . 16463 1
681 . 1 1 62 62 SER C C 13 176.005 . . . . . . 56 S C' . 16463 1
682 . 1 1 62 62 SER CA C 13 60.241 . . 1 . . . 56 S CA . 16463 1
683 . 1 1 62 62 SER CB C 13 63.156 . . 1 . . . 56 S CB . 16463 1
684 . 1 1 62 62 SER HA H 1 4.250 . . 1 . . . 56 S HA . 16463 1
685 . 1 1 62 62 SER HB2 H 1 3.898 . . 2 . . . 56 S HB2 . 16463 1
686 . 1 1 62 62 SER HB3 H 1 3.898 . . 2 . . . 56 S HB3 . 16463 1
687 . 1 1 62 62 SER H H 1 9.336 . . 1 . . . 56 S HN . 16463 1
688 . 1 1 62 62 SER N N 15 121.977 . . 1 . . . 56 S N . 16463 1
689 . 1 1 63 63 GLY C C 13 174.300 . . . . . . 57 G C' . 16463 1
690 . 1 1 63 63 GLY CA C 13 45.295 . . 1 . . . 57 G CA . 16463 1
691 . 1 1 63 63 GLY HA2 H 1 4.223 . . 2 . . . 57 G HA2 . 16463 1
692 . 1 1 63 63 GLY HA3 H 1 3.715 . . 2 . . . 57 G HA3 . 16463 1
693 . 1 1 63 63 GLY H H 1 8.888 . . 1 . . . 57 G HN . 16463 1
694 . 1 1 63 63 GLY N N 15 115.600 . . 1 . . . 57 G N . 16463 1
695 . 1 1 64 64 VAL CA C 13 60.567 . . 1 . . . 58 V CA . 16463 1
696 . 1 1 64 64 VAL CB C 13 32.965 . . 1 . . . 58 V CB . 16463 1
697 . 1 1 64 64 VAL CG1 C 13 23.111 . . 2 . . . 58 V CG1 . 16463 1
698 . 1 1 64 64 VAL CG2 C 13 20.099 . . 2 . . . 58 V CG2 . 16463 1
699 . 1 1 64 64 VAL HA H 1 4.289 . . 1 . . . 58 V HA . 16463 1
700 . 1 1 64 64 VAL HB H 1 2.274 . . 1 . . . 58 V HB . 16463 1
701 . 1 1 64 64 VAL HG13 H 1 1.102 . . 2 . . . 58 V HG1 . 16463 1
702 . 1 1 64 64 VAL HG11 H 1 1.102 . . 2 . . . 58 V HG1 . 16463 1
703 . 1 1 64 64 VAL HG12 H 1 1.102 . . 2 . . . 58 V HG1 . 16463 1
704 . 1 1 64 64 VAL HG21 H 1 0.969 . . 2 . . . 58 V HG2 . 16463 1
705 . 1 1 64 64 VAL HG22 H 1 0.969 . . 2 . . . 58 V HG2 . 16463 1
706 . 1 1 64 64 VAL HG23 H 1 0.969 . . 2 . . . 58 V HG2 . 16463 1
707 . 1 1 64 64 VAL H H 1 7.622 . . 1 . . . 58 V HN . 16463 1
708 . 1 1 64 64 VAL N N 15 125.765 . . 1 . . . 58 V N . 16463 1
709 . 1 1 65 65 PRO C C 13 176.591 . . . . . . 59 P C' . 16463 1
710 . 1 1 65 65 PRO CA C 13 63.376 . . 1 . . . 59 P CA . 16463 1
711 . 1 1 65 65 PRO CB C 13 33.764 . . 1 . . . 59 P CB . 16463 1
712 . 1 1 65 65 PRO CD C 13 51.687 . . 1 . . . 59 P CD . 16463 1
713 . 1 1 65 65 PRO CG C 13 27.741 . . 1 . . . 59 P CG . 16463 1
714 . 1 1 65 65 PRO HA H 1 4.626 . . 1 . . . 59 P HA . 16463 1
715 . 1 1 65 65 PRO HB2 H 1 2.674 . . 2 . . . 59 P HB2 . 16463 1
716 . 1 1 65 65 PRO HB3 H 1 2.174 . . 2 . . . 59 P HB3 . 16463 1
717 . 1 1 65 65 PRO HD2 H 1 4.181 . . 2 . . . 59 P HD2 . 16463 1
718 . 1 1 65 65 PRO HD3 H 1 3.801 . . 2 . . . 59 P HD3 . 16463 1
719 . 1 1 65 65 PRO HG2 H 1 2.279 . . 2 . . . 59 P HG2 . 16463 1
720 . 1 1 65 65 PRO HG3 H 1 2.279 . . 2 . . . 59 P HG3 . 16463 1
721 . 1 1 66 66 ASP C C 13 176.247 . . . . . . 60 D C' . 16463 1
722 . 1 1 66 66 ASP CA C 13 55.845 . . 1 . . . 60 D CA . 16463 1
723 . 1 1 66 66 ASP CB C 13 39.875 . . 1 . . . 60 D CB . 16463 1
724 . 1 1 66 66 ASP HA H 1 4.169 . . 1 . . . 60 D HA . 16463 1
725 . 1 1 66 66 ASP HB2 H 1 2.899 . . 2 . . . 60 D HB2 . 16463 1
726 . 1 1 66 66 ASP HB3 H 1 2.646 . . 2 . . . 60 D HB3 . 16463 1
727 . 1 1 66 66 ASP H H 1 8.541 . . 1 . . . 60 D HN . 16463 1
728 . 1 1 66 66 ASP N N 15 120.001 . . 1 . . . 60 D N . 16463 1
729 . 1 1 67 67 ARG C C 13 176.080 . . . . . . 61 R C' . 16463 1
730 . 1 1 67 67 ARG CA C 13 56.839 . . 1 . . . 61 R CA . 16463 1
731 . 1 1 67 67 ARG CB C 13 29.354 . . 1 . . . 61 R CB . 16463 1
732 . 1 1 67 67 ARG CD C 13 42.290 . . 1 . . . 61 R CD . 16463 1
733 . 1 1 67 67 ARG HA H 1 4.235 . . 1 . . . 61 R HA . 16463 1
734 . 1 1 67 67 ARG H H 1 7.078 . . 1 . . . 61 R HN . 16463 1
735 . 1 1 67 67 ARG N N 15 114.872 . . 1 . . . 61 R N . 16463 1
736 . 1 1 68 68 PHE C C 13 174.622 . . . . . . 62 F C' . 16463 1
737 . 1 1 68 68 PHE CA C 13 58.091 . . 1 . . . 62 F CA . 16463 1
738 . 1 1 68 68 PHE CB C 13 40.253 . . 1 . . . 62 F CB . 16463 1
739 . 1 1 68 68 PHE HA H 1 4.815 . . 1 . . . 62 F HA . 16463 1
740 . 1 1 68 68 PHE HB2 H 1 3.049 . . 2 . . . 62 F HB2 . 16463 1
741 . 1 1 68 68 PHE HB3 H 1 2.419 . . 2 . . . 62 F HB3 . 16463 1
742 . 1 1 68 68 PHE H H 1 7.772 . . 1 . . . 62 F HN . 16463 1
743 . 1 1 68 68 PHE N N 15 121.390 . . 1 . . . 62 F N . 16463 1
744 . 1 1 69 69 SER C C 13 172.856 . . . . . . 63 S C' . 16463 1
745 . 1 1 69 69 SER CA C 13 57.086 . . 1 . . . 63 S CA . 16463 1
746 . 1 1 69 69 SER CB C 13 65.540 . . 1 . . . 63 S CB . 16463 1
747 . 1 1 69 69 SER HA H 1 4.783 . . 1 . . . 63 S HA . 16463 1
748 . 1 1 69 69 SER HB2 H 1 3.713 . . 2 . . . 63 S HB2 . 16463 1
749 . 1 1 69 69 SER HB3 H 1 3.713 . . 2 . . . 63 S HB3 . 16463 1
750 . 1 1 69 69 SER H H 1 8.950 . . 1 . . . 63 S HN . 16463 1
751 . 1 1 69 69 SER N N 15 116.265 . . 1 . . . 63 S N . 16463 1
752 . 1 1 70 70 GLY C C 13 172.709 . . . . . . 64 G C' . 16463 1
753 . 1 1 70 70 GLY CA C 13 43.834 . . 1 . . . 64 G CA . 16463 1
754 . 1 1 70 70 GLY HA2 H 1 5.305 . . 2 . . . 64 G HA2 . 16463 1
755 . 1 1 70 70 GLY HA3 H 1 3.946 . . 2 . . . 64 G HA3 . 16463 1
756 . 1 1 70 70 GLY H H 1 9.210 . . 1 . . . 64 G HN . 16463 1
757 . 1 1 70 70 GLY N N 15 113.956 . . 1 . . . 64 G N . 16463 1
758 . 1 1 71 71 SER C C 13 174.502 . . . . . . 65 S C' . 16463 1
759 . 1 1 71 71 SER CA C 13 57.066 . . 1 . . . 65 S CA . 16463 1
760 . 1 1 71 71 SER CB C 13 66.257 . . 1 . . . 65 S CB . 16463 1
761 . 1 1 71 71 SER HA H 1 4.962 . . 1 . . . 65 S HA . 16463 1
762 . 1 1 71 71 SER HB2 H 1 3.961 . . 2 . . . 65 S HB2 . 16463 1
763 . 1 1 71 71 SER HB3 H 1 3.788 . . 2 . . . 65 S HB3 . 16463 1
764 . 1 1 71 71 SER H H 1 9.239 . . 1 . . . 65 S HN . 16463 1
765 . 1 1 71 71 SER N N 15 117.231 . . 1 . . . 65 S N . 16463 1
766 . 1 1 72 72 GLY C C 13 172.340 . . . . . . 66 G C' . 16463 1
767 . 1 1 72 72 GLY CA C 13 44.763 . . 1 . . . 66 G CA . 16463 1
768 . 1 1 72 72 GLY HA2 H 1 5.256 . . 2 . . . 66 G HA2 . 16463 1
769 . 1 1 72 72 GLY HA3 H 1 3.718 . . 2 . . . 66 G HA3 . 16463 1
770 . 1 1 72 72 GLY H H 1 8.520 . . 1 . . . 66 G HN . 16463 1
771 . 1 1 72 72 GLY N N 15 112.053 . . 1 . . . 66 G N . 16463 1
772 . 1 1 73 73 SER C C 13 174.838 . . . . . . 67 S C' . 16463 1
773 . 1 1 73 73 SER CA C 13 57.665 . . 1 . . . 67 S CA . 16463 1
774 . 1 1 73 73 SER CB C 13 64.401 . . 1 . . . 67 S CB . 16463 1
775 . 1 1 73 73 SER HA H 1 4.376 . . 1 . . . 67 S HA . 16463 1
776 . 1 1 73 73 SER HB2 H 1 3.831 . . 2 . . . 67 S HB2 . 16463 1
777 . 1 1 73 73 SER HB3 H 1 3.574 . . 2 . . . 67 S HB3 . 16463 1
778 . 1 1 73 73 SER H H 1 7.085 . . 1 . . . 67 S HN . 16463 1
779 . 1 1 73 73 SER N N 15 109.293 . . 1 . . . 67 S N . 16463 1
780 . 1 1 74 74 GLY C C 13 171.424 . . . . . . 68 G C' . 16463 1
781 . 1 1 74 74 GLY CA C 13 48.705 . . 1 . . . 68 G CA . 16463 1
782 . 1 1 74 74 GLY HA2 H 1 4.255 . . 2 . . . 68 G HA2 . 16463 1
783 . 1 1 74 74 GLY HA3 H 1 3.617 . . 2 . . . 68 G HA3 . 16463 1
784 . 1 1 74 74 GLY H H 1 9.017 . . 1 . . . 68 G HN . 16463 1
785 . 1 1 74 74 GLY N N 15 114.748 . . 1 . . . 68 G N . 16463 1
786 . 1 1 75 75 THR C C 13 173.674 . . . . . . 69 T C' . 16463 1
787 . 1 1 75 75 THR CA C 13 60.546 . . 1 . . . 69 T CA . 16463 1
788 . 1 1 75 75 THR CB C 13 71.596 . . 1 . . . 69 T CB . 16463 1
789 . 1 1 75 75 THR CG2 C 13 20.200 . . 1 . . . 69 T CG2 . 16463 1
790 . 1 1 75 75 THR HA H 1 5.189 . . 1 . . . 69 T HA . 16463 1
791 . 1 1 75 75 THR HB H 1 4.752 . . 1 . . . 69 T HB . 16463 1
792 . 1 1 75 75 THR HG21 H 1 0.841 . . . . . . 69 T HG2 . 16463 1
793 . 1 1 75 75 THR HG23 H 1 0.841 . . . . . . 69 T HG2 . 16463 1
794 . 1 1 75 75 THR HG22 H 1 0.841 . . . . . . 69 T HG2 . 16463 1
795 . 1 1 75 75 THR H H 1 7.836 . . 1 . . . 69 T HN . 16463 1
796 . 1 1 75 75 THR N N 15 115.620 . . 1 . . . 69 T N . 16463 1
797 . 1 1 76 76 ASP C C 13 173.419 . . . . . . 70 D C' . 16463 1
798 . 1 1 76 76 ASP CA C 13 54.128 . . 1 . . . 70 D CA . 16463 1
799 . 1 1 76 76 ASP CB C 13 43.759 . . 1 . . . 70 D CB . 16463 1
800 . 1 1 76 76 ASP HA H 1 5.259 . . 1 . . . 70 D HA . 16463 1
801 . 1 1 76 76 ASP HB3 H 1 2.436 . . 2 . . . 70 D HB . 16463 1
802 . 1 1 76 76 ASP HB2 H 1 2.436 . . 2 . . . 70 D HB . 16463 1
803 . 1 1 76 76 ASP H H 1 6.567 . . 1 . . . 70 D HN . 16463 1
804 . 1 1 76 76 ASP N N 15 122.235 . . 1 . . . 70 D N . 16463 1
805 . 1 1 77 77 PHE C C 13 175.808 . . . . . . 71 F C' . 16463 1
806 . 1 1 77 77 PHE CA C 13 57.393 . . 1 . . . 71 F CA . 16463 1
807 . 1 1 77 77 PHE CB C 13 43.294 . . 1 . . . 71 F CB . 16463 1
808 . 1 1 77 77 PHE HA H 1 5.356 . . 1 . . . 71 F HA . 16463 1
809 . 1 1 77 77 PHE HB2 H 1 2.666 . . 2 . . . 71 F HB2 . 16463 1
810 . 1 1 77 77 PHE HB3 H 1 2.666 . . 2 . . . 71 F HB3 . 16463 1
811 . 1 1 77 77 PHE H H 1 8.973 . . 1 . . . 71 F HN . 16463 1
812 . 1 1 77 77 PHE N N 15 122.379 . . 1 . . . 71 F N . 16463 1
813 . 1 1 78 78 THR C C 13 172.010 . . . . . . 72 T C' . 16463 1
814 . 1 1 78 78 THR CA C 13 61.466 . . 1 . . . 72 T CA . 16463 1
815 . 1 1 78 78 THR CB C 13 73.288 . . 1 . . . 72 T CB . 16463 1
816 . 1 1 78 78 THR CG2 C 13 22.120 . . 1 . . . 72 T CG2 . 16463 1
817 . 1 1 78 78 THR HA H 1 5.540 . . 1 . . . 72 T HA . 16463 1
818 . 1 1 78 78 THR HB H 1 3.761 . . 1 . . . 72 T HB . 16463 1
819 . 1 1 78 78 THR HG23 H 1 1.059 . . . . . . 72 T HG2 . 16463 1
820 . 1 1 78 78 THR HG21 H 1 1.059 . . . . . . 72 T HG2 . 16463 1
821 . 1 1 78 78 THR HG22 H 1 1.059 . . . . . . 72 T HG2 . 16463 1
822 . 1 1 78 78 THR H H 1 8.801 . . 1 . . . 72 T HN . 16463 1
823 . 1 1 78 78 THR N N 15 117.777 . . 1 . . . 72 T N . 16463 1
824 . 1 1 79 79 LEU C C 13 174.195 . . . . . . 73 L C' . 16463 1
825 . 1 1 79 79 LEU CA C 13 53.189 . . 1 . . . 73 L CA . 16463 1
826 . 1 1 79 79 LEU CB C 13 41.120 . . 1 . . . 73 L CB . 16463 1
827 . 1 1 79 79 LEU CD1 C 13 23.512 . . 2 . . . 73 L CD1 . 16463 1
828 . 1 1 79 79 LEU CD2 C 13 23.512 . . 2 . . . 73 L CD2 . 16463 1
829 . 1 1 79 79 LEU CG C 13 26.477 . . 1 . . . 73 L CG . 16463 1
830 . 1 1 79 79 LEU HA H 1 4.446 . . 1 . . . 73 L HA . 16463 1
831 . 1 1 79 79 LEU HB2 H 1 0.354 . . 2 . . . 73 L HB2 . 16463 1
832 . 1 1 79 79 LEU HB3 H 1 0.354 . . 2 . . . 73 L HB3 . 16463 1
833 . 1 1 79 79 LEU HD12 H 1 0.245 . . 2 . . . 73 L HD1 . 16463 1
834 . 1 1 79 79 LEU HD11 H 1 0.245 . . 2 . . . 73 L HD1 . 16463 1
835 . 1 1 79 79 LEU HD13 H 1 0.245 . . 2 . . . 73 L HD1 . 16463 1
836 . 1 1 79 79 LEU HD22 H 1 0.245 . . 2 . . . 73 L HD2 . 16463 1
837 . 1 1 79 79 LEU HD21 H 1 0.245 . . 2 . . . 73 L HD2 . 16463 1
838 . 1 1 79 79 LEU HD23 H 1 0.245 . . 2 . . . 73 L HD2 . 16463 1
839 . 1 1 79 79 LEU HG H 1 0.159 . . 1 . . . 73 L HG . 16463 1
840 . 1 1 79 79 LEU H H 1 8.840 . . 1 . . . 73 L HN . 16463 1
841 . 1 1 79 79 LEU N N 15 130.301 . . 1 . . . 73 L N . 16463 1
842 . 1 1 80 80 THR C C 13 173.287 . . . . . . 74 T C' . 16463 1
843 . 1 1 80 80 THR CA C 13 61.078 . . 1 . . . 74 T CA . 16463 1
844 . 1 1 80 80 THR CB C 13 70.608 . . 1 . . . 74 T CB . 16463 1
845 . 1 1 80 80 THR CG2 C 13 20.821 . . 1 . . . 74 T CG2 . 16463 1
846 . 1 1 80 80 THR HA H 1 5.010 . . 1 . . . 74 T HA . 16463 1
847 . 1 1 80 80 THR HB H 1 3.695 . . 1 . . . 74 T HB . 16463 1
848 . 1 1 80 80 THR HG21 H 1 0.909 . . . . . . 74 T HG2 . 16463 1
849 . 1 1 80 80 THR HG23 H 1 0.909 . . . . . . 74 T HG2 . 16463 1
850 . 1 1 80 80 THR HG22 H 1 0.909 . . . . . . 74 T HG2 . 16463 1
851 . 1 1 80 80 THR H H 1 8.935 . . 1 . . . 74 T HN . 16463 1
852 . 1 1 80 80 THR N N 15 123.674 . . 1 . . . 74 T N . 16463 1
853 . 1 1 81 81 ILE C C 13 176.306 . . . . . . 75 I C' . 16463 1
854 . 1 1 81 81 ILE CA C 13 59.907 . . 1 . . . 75 I CA . 16463 1
855 . 1 1 81 81 ILE CB C 13 39.198 . . 1 . . . 75 I CB . 16463 1
856 . 1 1 81 81 ILE CD1 C 13 14.009 . . 1 . . . 75 I CD1 . 16463 1
857 . 1 1 81 81 ILE CG1 C 13 26.658 . . 1 . . . 75 I CG1 . 16463 1
858 . 1 1 81 81 ILE CG2 C 13 17.359 . . 1 . . . 75 I CG2 . 16463 1
859 . 1 1 81 81 ILE HA H 1 4.308 . . 1 . . . 75 I HA . 16463 1
860 . 1 1 81 81 ILE HB H 1 1.345 . . 1 . . . 75 I HB . 16463 1
861 . 1 1 81 81 ILE HD12 H 1 0.225 . . 1 . . . 75 I HD1 . 16463 1
862 . 1 1 81 81 ILE HD13 H 1 0.225 . . 1 . . . 75 I HD1 . 16463 1
863 . 1 1 81 81 ILE HD11 H 1 0.225 . . 1 . . . 75 I HD1 . 16463 1
864 . 1 1 81 81 ILE HG12 H 1 0.915 . . 2 . . . 75 I HG12 . 16463 1
865 . 1 1 81 81 ILE HG13 H 1 0.273 . . 2 . . . 75 I HG13 . 16463 1
866 . 1 1 81 81 ILE HG23 H 1 0.107 . . 1 . . . 75 I HG2 . 16463 1
867 . 1 1 81 81 ILE HG21 H 1 0.107 . . 1 . . . 75 I HG2 . 16463 1
868 . 1 1 81 81 ILE HG22 H 1 0.107 . . 1 . . . 75 I HG2 . 16463 1
869 . 1 1 81 81 ILE H H 1 8.861 . . 1 . . . 75 I HN . 16463 1
870 . 1 1 81 81 ILE N N 15 128.216 . . 1 . . . 75 I N . 16463 1
871 . 1 1 82 82 SER C C 13 173.397 . . . . . . 76 S C' . 16463 1
872 . 1 1 82 82 SER CA C 13 60.312 . . 1 . . . 76 S CA . 16463 1
873 . 1 1 82 82 SER CB C 13 63.142 . . 1 . . . 76 S CB . 16463 1
874 . 1 1 82 82 SER HA H 1 3.941 . . 1 . . . 76 S HA . 16463 1
875 . 1 1 82 82 SER HB2 H 1 3.757 . . 2 . . . 76 S HB2 . 16463 1
876 . 1 1 82 82 SER HB3 H 1 3.757 . . 2 . . . 76 S HB3 . 16463 1
877 . 1 1 82 82 SER H H 1 8.853 . . 1 . . . 76 S HN . 16463 1
878 . 1 1 82 82 SER N N 15 122.381 . . 1 . . . 76 S N . 16463 1
879 . 1 1 83 83 SER C C 13 173.846 . . . . . . 77 S C' . 16463 1
880 . 1 1 83 83 SER CA C 13 56.446 . . 1 . . . 77 S CA . 16463 1
881 . 1 1 83 83 SER CB C 13 62.675 . . 1 . . . 77 S CB . 16463 1
882 . 1 1 83 83 SER HA H 1 3.728 . . 1 . . . 77 S HA . 16463 1
883 . 1 1 83 83 SER HB2 H 1 3.607 . . 2 . . . 77 S HB2 . 16463 1
884 . 1 1 83 83 SER HB3 H 1 3.521 . . 2 . . . 77 S HB3 . 16463 1
885 . 1 1 83 83 SER H H 1 6.643 . . 1 . . . 77 S HN . 16463 1
886 . 1 1 83 83 SER N N 15 114.344 . . 1 . . . 77 S N . 16463 1
887 . 1 1 84 84 LEU C C 13 177.096 . . . . . . 78 L C' . 16463 1
888 . 1 1 84 84 LEU CA C 13 57.580 . . 1 . . . 78 L CA . 16463 1
889 . 1 1 84 84 LEU CB C 13 42.644 . . 1 . . . 78 L CB . 16463 1
890 . 1 1 84 84 LEU CG C 13 26.907 . . 1 . . . 78 L CG . 16463 1
891 . 1 1 84 84 LEU CD1 C 13 26.907 . . 2 . . . 78 L CD1 . 16463 1
892 . 1 1 84 84 LEU CD2 C 13 26.907 . . 2 . . . 78 L CD2 . 16463 1
893 . 1 1 84 84 LEU HA H 1 3.788 . . 1 . . . 78 L HA . 16463 1
894 . 1 1 84 84 LEU HB2 H 1 1.663 . . 2 . . . 78 L HB2 . 16463 1
895 . 1 1 84 84 LEU HB3 H 1 1.395 . . 2 . . . 78 L HB3 . 16463 1
896 . 1 1 84 84 LEU HD11 H 1 0.600 . . 4 . . . 78 L HD1 . 16463 1
897 . 1 1 84 84 LEU HD12 H 1 0.600 . . 4 . . . 78 L HD1 . 16463 1
898 . 1 1 84 84 LEU HD13 H 1 0.600 . . 4 . . . 78 L HD1 . 16463 1
899 . 1 1 84 84 LEU HD23 H 1 0.600 . . 4 . . . 78 L HD2 . 16463 1
900 . 1 1 84 84 LEU HD22 H 1 0.600 . . 4 . . . 78 L HD2 . 16463 1
901 . 1 1 84 84 LEU HD21 H 1 0.600 . . 4 . . . 78 L HD2 . 16463 1
902 . 1 1 84 84 LEU HG H 1 0.777 . . 4 . . . 78 L HG . 16463 1
903 . 1 1 84 84 LEU H H 1 8.527 . . 1 . . . 78 L HN . 16463 1
904 . 1 1 84 84 LEU N N 15 126.510 . . 1 . . . 78 L N . 16463 1
905 . 1 1 85 85 GLN C C 13 176.708 . . . . . . 79 Q C' . 16463 1
906 . 1 1 85 85 GLN CA C 13 53.264 . . 1 . . . 79 Q CA . 16463 1
907 . 1 1 85 85 GLN CB C 13 31.198 . . 1 . . . 79 Q CB . 16463 1
908 . 1 1 85 85 GLN CG C 13 33.526 . . 1 . . . 79 Q CG . 16463 1
909 . 1 1 85 85 GLN HA H 1 4.623 . . 1 . . . 79 Q HA . 16463 1
910 . 1 1 85 85 GLN HB2 H 1 2.450 . . 2 . . . 79 Q HB2 . 16463 1
911 . 1 1 85 85 GLN HB3 H 1 1.705 . . 2 . . . 79 Q HB3 . 16463 1
912 . 1 1 85 85 GLN HE21 H 1 7.273 . . 2 . . . 79 Q HE21 . 16463 1
913 . 1 1 85 85 GLN HE22 H 1 6.816 . . 2 . . . 79 Q HE22 . 16463 1
914 . 1 1 85 85 GLN HG2 H 1 2.469 . . 2 . . . 79 Q HG2 . 16463 1
915 . 1 1 85 85 GLN HG3 H 1 2.307 . . 2 . . . 79 Q HG3 . 16463 1
916 . 1 1 85 85 GLN H H 1 9.039 . . 1 . . . 79 Q HN . 16463 1
917 . 1 1 85 85 GLN N N 15 127.065 . . 1 . . . 79 Q N . 16463 1
918 . 1 1 85 85 GLN NE2 N 15 115.010 . . 1 . . . 79 Q NE2 . 16463 1
919 . 1 1 86 86 ALA C C 13 180.128 . . . . . . 80 A C' . 16463 1
920 . 1 1 86 86 ALA CA C 13 55.945 . . 1 . . . 80 A CA . 16463 1
921 . 1 1 86 86 ALA CB C 13 17.613 . . 1 . . . 80 A CB . 16463 1
922 . 1 1 86 86 ALA HA H 1 3.880 . . 1 . . . 80 A HA . 16463 1
923 . 1 1 86 86 ALA HB2 H 1 1.474 . . 1 . . . 80 A HB . 16463 1
924 . 1 1 86 86 ALA HB3 H 1 1.474 . . 1 . . . 80 A HB . 16463 1
925 . 1 1 86 86 ALA HB1 H 1 1.474 . . 1 . . . 80 A HB . 16463 1
926 . 1 1 86 86 ALA H H 1 9.002 . . 1 . . . 80 A HN . 16463 1
927 . 1 1 86 86 ALA N N 15 125.743 . . 1 . . . 80 A N . 16463 1
928 . 1 1 87 87 GLU C C 13 175.978 . . . . . . 81 E C' . 16463 1
929 . 1 1 87 87 GLU CA C 13 57.580 . . 1 . . . 81 E CA . 16463 1
930 . 1 1 87 87 GLU CB C 13 28.692 . . 1 . . . 81 E CB . 16463 1
931 . 1 1 87 87 GLU CG C 13 35.723 . . 1 . . . 81 E CG . 16463 1
932 . 1 1 87 87 GLU HA H 1 4.345 . . 1 . . . 81 E HA . 16463 1
933 . 1 1 87 87 GLU HB2 H 1 2.167 . . 2 . . . 81 E HB2 . 16463 1
934 . 1 1 87 87 GLU HB3 H 1 2.111 . . 2 . . . 81 E HB3 . 16463 1
935 . 1 1 87 87 GLU HG2 H 1 2.254 . . 2 . . . 81 E HG2 . 16463 1
936 . 1 1 87 87 GLU HG3 H 1 2.254 . . 2 . . . 81 E HG3 . 16463 1
937 . 1 1 87 87 GLU H H 1 9.002 . . 1 . . . 81 E HN . 16463 1
938 . 1 1 87 87 GLU N N 15 114.950 . . 1 . . . 81 E N . 16463 1
939 . 1 1 88 88 ASP C C 13 177.501 . . . . . . 82 D C' . 16463 1
940 . 1 1 88 88 ASP CA C 13 54.448 . . 1 . . . 82 D CA . 16463 1
941 . 1 1 88 88 ASP CB C 13 41.238 . . 1 . . . 82 D CB . 16463 1
942 . 1 1 88 88 ASP HA H 1 4.615 . . 1 . . . 82 D HA . 16463 1
943 . 1 1 88 88 ASP HB2 H 1 3.006 . . 2 . . . 82 D HB2 . 16463 1
944 . 1 1 88 88 ASP HB3 H 1 2.861 . . 2 . . . 82 D HB3 . 16463 1
945 . 1 1 88 88 ASP H H 1 8.112 . . 1 . . . 82 D HN . 16463 1
946 . 1 1 88 88 ASP N N 15 120.910 . . 1 . . . 82 D N . 16463 1
947 . 1 1 89 89 VAL C C 13 174.819 . . . . . . 83 V C' . 16463 1
948 . 1 1 89 89 VAL CA C 13 65.570 . . 1 . . . 83 V CA . 16463 1
949 . 1 1 89 89 VAL CB C 13 31.512 . . 1 . . . 83 V CB . 16463 1
950 . 1 1 89 89 VAL CG1 C 13 22.693 . . 2 . . . 83 V CG1 . 16463 1
951 . 1 1 89 89 VAL CG2 C 13 20.706 . . 2 . . . 83 V CG2 . 16463 1
952 . 1 1 89 89 VAL HA H 1 3.768 . . 1 . . . 83 V HA . 16463 1
953 . 1 1 89 89 VAL HB H 1 2.157 . . 1 . . . 83 V HB . 16463 1
954 . 1 1 89 89 VAL HG12 H 1 1.163 . . 2 . . . 83 V HG1 . 16463 1
955 . 1 1 89 89 VAL HG11 H 1 1.163 . . 2 . . . 83 V HG1 . 16463 1
956 . 1 1 89 89 VAL HG13 H 1 1.163 . . 2 . . . 83 V HG1 . 16463 1
957 . 1 1 89 89 VAL HG23 H 1 1.216 . . 2 . . . 83 V HG2 . 16463 1
958 . 1 1 89 89 VAL HG21 H 1 1.216 . . 2 . . . 83 V HG2 . 16463 1
959 . 1 1 89 89 VAL HG22 H 1 1.216 . . 2 . . . 83 V HG2 . 16463 1
960 . 1 1 89 89 VAL H H 1 7.155 . . 1 . . . 83 V HN . 16463 1
961 . 1 1 89 89 VAL N N 15 123.450 . . 1 . . . 83 V N . 16463 1
962 . 1 1 90 90 ALA C C 13 174.346 . . . . . . 84 A C' . 16463 1
963 . 1 1 90 90 ALA CA C 13 51.474 . . 1 . . . 84 A CA . 16463 1
964 . 1 1 90 90 ALA CB C 13 20.668 . . 1 . . . 84 A CB . 16463 1
965 . 1 1 90 90 ALA HA H 1 4.490 . . 1 . . . 84 A HA . 16463 1
966 . 1 1 90 90 ALA HB2 H 1 1.012 . . 1 . . . 84 A HB . 16463 1
967 . 1 1 90 90 ALA HB1 H 1 1.012 . . 1 . . . 84 A HB . 16463 1
968 . 1 1 90 90 ALA HB3 H 1 1.012 . . 1 . . . 84 A HB . 16463 1
969 . 1 1 90 90 ALA H H 1 7.995 . . 1 . . . 84 A HN . 16463 1
970 . 1 1 90 90 ALA N N 15 129.613 . . 1 . . . 84 A N . 16463 1
971 . 1 1 91 91 VAL C C 13 174.932 . . . . . . 85 V C' . 16463 1
972 . 1 1 91 91 VAL CA C 13 61.441 . . 1 . . . 85 V CA . 16463 1
973 . 1 1 91 91 VAL CB C 13 32.828 . . 1 . . . 85 V CB . 16463 1
974 . 1 1 91 91 VAL CG1 C 13 22.130 . . 2 . . . 85 V CG1 . 16463 1
975 . 1 1 91 91 VAL CG2 C 13 21.399 . . 2 . . . 85 V CG2 . 16463 1
976 . 1 1 91 91 VAL HA H 1 4.841 . . 1 . . . 85 V HA . 16463 1
977 . 1 1 91 91 VAL HB H 1 1.907 . . 1 . . . 85 V HB . 16463 1
978 . 1 1 91 91 VAL HG13 H 1 1.009 . . 2 . . . 85 V HG1 . 16463 1
979 . 1 1 91 91 VAL HG11 H 1 1.009 . . 2 . . . 85 V HG1 . 16463 1
980 . 1 1 91 91 VAL HG12 H 1 1.009 . . 2 . . . 85 V HG1 . 16463 1
981 . 1 1 91 91 VAL HG22 H 1 0.504 . . 2 . . . 85 V HG2 . 16463 1
982 . 1 1 91 91 VAL HG23 H 1 0.504 . . 2 . . . 85 V HG2 . 16463 1
983 . 1 1 91 91 VAL HG21 H 1 0.504 . . 2 . . . 85 V HG2 . 16463 1
984 . 1 1 91 91 VAL H H 1 7.736 . . 1 . . . 85 V HN . 16463 1
985 . 1 1 91 91 VAL N N 15 118.828 . . 1 . . . 85 V N . 16463 1
986 . 1 1 92 92 TYR C C 13 176.767 . . . . . . 86 Y C' . 16463 1
987 . 1 1 92 92 TYR CA C 13 56.941 . . 1 . . . 86 Y CA . 16463 1
988 . 1 1 92 92 TYR CB C 13 42.163 . . 1 . . . 86 Y CB . 16463 1
989 . 1 1 92 92 TYR HA H 1 5.442 . . 1 . . . 86 Y HA . 16463 1
990 . 1 1 92 92 TYR HB2 H 1 2.723 . . 2 . . . 86 Y HB2 . 16463 1
991 . 1 1 92 92 TYR HB3 H 1 2.723 . . 2 . . . 86 Y HB3 . 16463 1
992 . 1 1 92 92 TYR H H 1 8.700 . . 1 . . . 86 Y HN . 16463 1
993 . 1 1 92 92 TYR N N 15 125.430 . . 1 . . . 86 Y N . 16463 1
994 . 1 1 93 93 TYR C C 13 175.552 . . . . . . 87 Y C' . 16463 1
995 . 1 1 93 93 TYR CA C 13 57.266 . . 1 . . . 87 Y CA . 16463 1
996 . 1 1 93 93 TYR CB C 13 44.327 . . 1 . . . 87 Y CB . 16463 1
997 . 1 1 93 93 TYR HA H 1 5.722 . . 1 . . . 87 Y HA . 16463 1
998 . 1 1 93 93 TYR HB2 H 1 3.115 . . 2 . . . 87 Y HB2 . 16463 1
999 . 1 1 93 93 TYR HB3 H 1 2.654 . . 2 . . . 87 Y HB3 . 16463 1
1000 . 1 1 93 93 TYR H H 1 9.470 . . 1 . . . 87 Y HN . 16463 1
1001 . 1 1 93 93 TYR N N 15 121.437 . . 1 . . . 87 Y N . 16463 1
1002 . 1 1 94 94 CYS C C 13 172.225 . . . . . . 88 C C' . 16463 1
1003 . 1 1 94 94 CYS CA C 13 53.174 . . 1 . . . 88 C CA . 16463 1
1004 . 1 1 94 94 CYS CB C 13 44.614 . . 1 . . . 88 C CB . 16463 1
1005 . 1 1 94 94 CYS HA H 1 5.329 . . 1 . . . 88 C HA . 16463 1
1006 . 1 1 94 94 CYS HB2 H 1 1.988 . . 2 . . . 88 C HB2 . 16463 1
1007 . 1 1 94 94 CYS HB3 H 1 1.363 . . 2 . . . 88 C HB3 . 16463 1
1008 . 1 1 94 94 CYS H H 1 7.775 . . 1 . . . 88 C HN . 16463 1
1009 . 1 1 94 94 CYS N N 15 117.944 . . 1 . . . 88 C N . 16463 1
1010 . 1 1 95 95 GLN C C 13 174.168 . . . . . . 89 Q C' . 16463 1
1011 . 1 1 95 95 GLN CA C 13 54.073 . . 1 . . . 89 Q CA . 16463 1
1012 . 1 1 95 95 GLN CB C 13 33.712 . . 1 . . . 89 Q CB . 16463 1
1013 . 1 1 95 95 GLN CG C 13 32.174 . . 1 . . . 89 Q CG . 16463 1
1014 . 1 1 95 95 GLN HA H 1 5.055 . . 1 . . . 89 Q HA . 16463 1
1015 . 1 1 95 95 GLN HB2 H 1 1.728 . . 2 . . . 89 Q HB2 . 16463 1
1016 . 1 1 95 95 GLN HB3 H 1 1.150 . . 2 . . . 89 Q HB3 . 16463 1
1017 . 1 1 95 95 GLN HG2 H 1 1.620 . . 2 . . . 89 Q HG2 . 16463 1
1018 . 1 1 95 95 GLN HG3 H 1 0.903 . . 2 . . . 89 Q HG3 . 16463 1
1019 . 1 1 95 95 GLN H H 1 8.983 . . 1 . . . 89 Q HN . 16463 1
1020 . 1 1 95 95 GLN N N 15 123.373 . . 1 . . . 89 Q N . 16463 1
1021 . 1 1 96 96 GLN C C 13 174.271 . . . . . . 90 Q C' . 16463 1
1022 . 1 1 96 96 GLN CA C 13 52.401 . . 1 . . . 90 Q CA . 16463 1
1023 . 1 1 96 96 GLN CB C 13 28.247 . . 1 . . . 90 Q CB . 16463 1
1024 . 1 1 96 96 GLN CG C 13 31.757 . . 1 . . . 90 Q CG . 16463 1
1025 . 1 1 96 96 GLN HA H 1 5.315 . . 1 . . . 90 Q HA . 16463 1
1026 . 1 1 96 96 GLN HB2 H 1 2.590 . . 2 . . . 90 Q HB2 . 16463 1
1027 . 1 1 96 96 GLN HB3 H 1 1.801 . . 2 . . . 90 Q HB3 . 16463 1
1028 . 1 1 96 96 GLN HG2 H 1 2.862 . . 2 . . . 90 Q HG2 . 16463 1
1029 . 1 1 96 96 GLN HG3 H 1 2.142 . . 2 . . . 90 Q HG3 . 16463 1
1030 . 1 1 96 96 GLN H H 1 8.525 . . 1 . . . 90 Q HN . 16463 1
1031 . 1 1 96 96 GLN N N 15 124.134 . . 1 . . . 90 Q N . 16463 1
1032 . 1 1 97 97 TYR C C 13 172.163 . . . . . . 91 Y C' . 16463 1
1033 . 1 1 97 97 TYR CA C 13 54.251 . . 1 . . . 91 Y CA . 16463 1
1034 . 1 1 97 97 TYR CB C 13 34.953 . . 1 . . . 91 Y CB . 16463 1
1035 . 1 1 97 97 TYR HA H 1 3.871 . . 1 . . . 91 Y HA . 16463 1
1036 . 1 1 97 97 TYR HB2 H 1 2.090 . . 2 . . . 91 Y HB2 . 16463 1
1037 . 1 1 97 97 TYR HB3 H 1 1.143 . . 2 . . . 91 Y HB3 . 16463 1
1038 . 1 1 97 97 TYR H H 1 7.213 . . 1 . . . 91 Y HN . 16463 1
1039 . 1 1 97 97 TYR N N 15 120.806 . . 1 . . . 91 Y N . 16463 1
1040 . 1 1 98 98 TYR C C 13 176.287 . . . . . . 92 Y C' . 16463 1
1041 . 1 1 98 98 TYR CA C 13 60.207 . . 1 . . . 92 Y CA . 16463 1
1042 . 1 1 98 98 TYR CB C 13 40.798 . . 1 . . . 92 Y CB . 16463 1
1043 . 1 1 98 98 TYR HA H 1 3.848 . . 1 . . . 92 Y HA . 16463 1
1044 . 1 1 98 98 TYR HB2 H 1 3.029 . . 2 . . . 92 Y HB2 . 16463 1
1045 . 1 1 98 98 TYR HB3 H 1 3.029 . . 2 . . . 92 Y HB3 . 16463 1
1046 . 1 1 98 98 TYR H H 1 8.834 . . 1 . . . 92 Y HN . 16463 1
1047 . 1 1 98 98 TYR N N 15 125.015 . . 1 . . . 92 Y N . 16463 1
1048 . 1 1 99 99 SER C C 13 173.195 . . . . . . 93 S C' . 16463 1
1049 . 1 1 99 99 SER CA C 13 56.045 . . 1 . . . 93 S CA . 16463 1
1050 . 1 1 99 99 SER CB C 13 65.273 . . 1 . . . 93 S CB . 16463 1
1051 . 1 1 99 99 SER HA H 1 4.716 . . 1 . . . 93 S HA . 16463 1
1052 . 1 1 99 99 SER HB2 H 1 3.706 . . 2 . . . 93 S HB2 . 16463 1
1053 . 1 1 99 99 SER HB3 H 1 3.635 . . 2 . . . 93 S HB3 . 16463 1
1054 . 1 1 99 99 SER H H 1 8.712 . . 1 . . . 93 S HN . 16463 1
1055 . 1 1 99 99 SER N N 15 112.933 . . 1 . . . 93 S N . 16463 1
1056 . 1 1 100 100 THR CA C 13 59.654 . . 1 . . . 94 T CA . 16463 1
1057 . 1 1 100 100 THR CB C 13 68.751 . . 1 . . . 94 T CB . 16463 1
1058 . 1 1 100 100 THR CG2 C 13 22.070 . . 1 . . . 94 T CG2 . 16463 1
1059 . 1 1 100 100 THR HA H 1 4.131 . . 1 . . . 94 T HA . 16463 1
1060 . 1 1 100 100 THR HB H 1 4.080 . . 1 . . . 94 T HB . 16463 1
1061 . 1 1 100 100 THR HG21 H 1 0.964 . . . . . . 94 T HG2 . 16463 1
1062 . 1 1 100 100 THR HG23 H 1 0.964 . . . . . . 94 T HG2 . 16463 1
1063 . 1 1 100 100 THR HG22 H 1 0.964 . . . . . . 94 T HG2 . 16463 1
1064 . 1 1 100 100 THR H H 1 8.328 . . 1 . . . 94 T HN . 16463 1
1065 . 1 1 100 100 THR N N 15 117.078 . . 1 . . . 94 T N . 16463 1
1066 . 1 1 102 102 TYR C C 13 175.120 . . . . . . 96 Y C' . 16463 1
1067 . 1 1 102 102 TYR CA C 13 54.992 . . 1 . . . 96 Y CA . 16463 1
1068 . 1 1 103 103 SER C C 13 172.613 . . . . . . 97 S C' . 16463 1
1069 . 1 1 103 103 SER CA C 13 56.355 . . 1 . . . 97 S CA . 16463 1
1070 . 1 1 103 103 SER CB C 13 66.372 . . 1 . . . 97 S CB . 16463 1
1071 . 1 1 103 103 SER HA H 1 5.350 . . 1 . . . 97 S HA . 16463 1
1072 . 1 1 103 103 SER HB2 H 1 4.329 . . 2 . . . 97 S HB2 . 16463 1
1073 . 1 1 103 103 SER HB3 H 1 4.184 . . 2 . . . 97 S HB3 . 16463 1
1074 . 1 1 103 103 SER H H 1 7.493 . . 1 . . . 97 S HN . 16463 1
1075 . 1 1 103 103 SER N N 15 113.157 . . 1 . . . 97 S N . 16463 1
1076 . 1 1 104 104 PHE C C 13 178.365 . . . . . . 98 F C' . 16463 1
1077 . 1 1 104 104 PHE CA C 13 56.489 . . 1 . . . 98 F CA . 16463 1
1078 . 1 1 104 104 PHE CB C 13 44.297 . . 1 . . . 98 F CB . 16463 1
1079 . 1 1 104 104 PHE HA H 1 5.442 . . 1 . . . 98 F HA . 16463 1
1080 . 1 1 104 104 PHE HB2 H 1 3.563 . . 2 . . . 98 F HB2 . 16463 1
1081 . 1 1 104 104 PHE HB3 H 1 3.140 . . 2 . . . 98 F HB3 . 16463 1
1082 . 1 1 104 104 PHE H H 1 9.090 . . 1 . . . 98 F HN . 16463 1
1083 . 1 1 104 104 PHE N N 15 121.203 . . 1 . . . 98 F N . 16463 1
1084 . 1 1 105 105 GLY C C 13 173.339 . . . . . . 99 G C' . 16463 1
1085 . 1 1 105 105 GLY CA C 13 44.684 . . 1 . . . 99 G CA . 16463 1
1086 . 1 1 105 105 GLY HA2 H 1 4.542 . . 2 . . . 99 G HA2 . 16463 1
1087 . 1 1 105 105 GLY HA3 H 1 4.296 . . 2 . . . 99 G HA3 . 16463 1
1088 . 1 1 105 105 GLY H H 1 8.771 . . 1 . . . 99 G HN . 16463 1
1089 . 1 1 105 105 GLY N N 15 106.902 . . 1 . . . 99 G N . 16463 1
1090 . 1 1 106 106 GLN C C 13 176.012 . . . . . . 100 Q C' . 16463 1
1091 . 1 1 106 106 GLN CA C 13 57.589 . . 1 . . . 100 Q CA . 16463 1
1092 . 1 1 106 106 GLN CB C 13 27.585 . . 1 . . . 100 Q CB . 16463 1
1093 . 1 1 106 106 GLN CG C 13 33.574 . . 1 . . . 100 Q CG . 16463 1
1094 . 1 1 106 106 GLN HA H 1 4.403 . . 1 . . . 100 Q HA . 16463 1
1095 . 1 1 106 106 GLN HB2 H 1 2.361 . . 2 . . . 100 Q HB2 . 16463 1
1096 . 1 1 106 106 GLN HB3 H 1 2.361 . . 2 . . . 100 Q HB3 . 16463 1
1097 . 1 1 106 106 GLN HG2 H 1 2.778 . . 2 . . . 100 Q HG2 . 16463 1
1098 . 1 1 106 106 GLN HG3 H 1 2.778 . . 2 . . . 100 Q HG3 . 16463 1
1099 . 1 1 106 106 GLN H H 1 9.024 . . 1 . . . 100 Q HN . 16463 1
1100 . 1 1 106 106 GLN N N 15 118.074 . . 1 . . . 100 Q N . 16463 1
1101 . 1 1 107 107 GLY C C 13 171.825 . . . . . . 101 G C' . 16463 1
1102 . 1 1 107 107 GLY CA C 13 45.370 . . 1 . . . 101 G CA . 16463 1
1103 . 1 1 107 107 GLY HA2 H 1 3.767 . . 2 . . . 101 G HA2 . 16463 1
1104 . 1 1 107 107 GLY HA3 H 1 3.257 . . 2 . . . 101 G HA3 . 16463 1
1105 . 1 1 107 107 GLY H H 1 6.801 . . 1 . . . 101 G HN . 16463 1
1106 . 1 1 107 107 GLY N N 15 108.040 . . 1 . . . 101 G N . 16463 1
1107 . 1 1 108 108 THR C C 13 173.848 . . . . . . 102 T C' . 16463 1
1108 . 1 1 108 108 THR CA C 13 61.746 . . 1 . . . 102 T CA . 16463 1
1109 . 1 1 108 108 THR CB C 13 72.702 . . 1 . . . 102 T CB . 16463 1
1110 . 1 1 108 108 THR CG2 C 13 21.285 . . 1 . . . 102 T CG2 . 16463 1
1111 . 1 1 108 108 THR HA H 1 4.787 . . 1 . . . 102 T HA . 16463 1
1112 . 1 1 108 108 THR HB H 1 3.672 . . 1 . . . 102 T HB . 16463 1
1113 . 1 1 108 108 THR HG23 H 1 1.011 . . . . . . 102 T HG2 . 16463 1
1114 . 1 1 108 108 THR HG21 H 1 1.011 . . . . . . 102 T HG2 . 16463 1
1115 . 1 1 108 108 THR HG22 H 1 1.011 . . . . . . 102 T HG2 . 16463 1
1116 . 1 1 108 108 THR H H 1 8.016 . . 1 . . . 102 T HN . 16463 1
1117 . 1 1 108 108 THR N N 15 119.258 . . 1 . . . 102 T N . 16463 1
1118 . 1 1 109 109 LYS C C 13 173.365 . . . . . . 103 K C' . 16463 1
1119 . 1 1 109 109 LYS CA C 13 56.683 . . 1 . . . 103 K CA . 16463 1
1120 . 1 1 109 109 LYS CB C 13 33.374 . . 1 . . . 103 K CB . 16463 1
1121 . 1 1 109 109 LYS CD C 13 29.403 . . 1 . . . 103 K CD . 16463 1
1122 . 1 1 109 109 LYS CE C 13 42.034 . . 1 . . . 103 K CE . 16463 1
1123 . 1 1 109 109 LYS CG C 13 25.112 . . 1 . . . 103 K CG . 16463 1
1124 . 1 1 109 109 LYS HA H 1 4.506 . . 1 . . . 103 K HA . 16463 1
1125 . 1 1 109 109 LYS HB2 H 1 1.966 . . 2 . . . 103 K HB2 . 16463 1
1126 . 1 1 109 109 LYS HB3 H 1 1.858 . . 2 . . . 103 K HB3 . 16463 1
1127 . 1 1 109 109 LYS HD2 H 1 1.705 . . 2 . . . 103 K HD2 . 16463 1
1128 . 1 1 109 109 LYS HD3 H 1 1.705 . . 2 . . . 103 K HD3 . 16463 1
1129 . 1 1 109 109 LYS HE2 H 1 2.965 . . 2 . . . 103 K HE2 . 16463 1
1130 . 1 1 109 109 LYS HE3 H 1 2.965 . . 2 . . . 103 K HE3 . 16463 1
1131 . 1 1 109 109 LYS HG2 H 1 1.478 . . 2 . . . 103 K HG2 . 16463 1
1132 . 1 1 109 109 LYS HG3 H 1 1.375 . . 2 . . . 103 K HG3 . 16463 1
1133 . 1 1 109 109 LYS H H 1 8.320 . . 1 . . . 103 K HN . 16463 1
1134 . 1 1 109 109 LYS N N 15 130.507 . . 1 . . . 103 K N . 16463 1
1135 . 1 1 110 110 LEU C C 13 175.101 . . . . . . 104 L C' . 16463 1
1136 . 1 1 110 110 LEU CA C 13 54.359 . . 1 . . . 104 L CA . 16463 1
1137 . 1 1 110 110 LEU CB C 13 44.771 . . 1 . . . 104 L CB . 16463 1
1138 . 1 1 110 110 LEU CD1 C 13 25.849 . . 2 . . . 104 L CD1 . 16463 1
1139 . 1 1 110 110 LEU CD2 C 13 25.849 . . 2 . . . 104 L CD2 . 16463 1
1140 . 1 1 110 110 LEU CG C 13 28.322 . . 1 . . . 104 L CG . 16463 1
1141 . 1 1 110 110 LEU HA H 1 5.371 . . 1 . . . 104 L HA . 16463 1
1142 . 1 1 110 110 LEU HB2 H 1 2.208 . . 2 . . . 104 L HB2 . 16463 1
1143 . 1 1 110 110 LEU HB3 H 1 1.552 . . 2 . . . 104 L HB3 . 16463 1
1144 . 1 1 110 110 LEU HD13 H 1 0.772 . . 2 . . . 104 L HD1 . 16463 1
1145 . 1 1 110 110 LEU HD12 H 1 0.772 . . 2 . . . 104 L HD1 . 16463 1
1146 . 1 1 110 110 LEU HD11 H 1 0.772 . . 2 . . . 104 L HD1 . 16463 1
1147 . 1 1 110 110 LEU HD21 H 1 0.772 . . 2 . . . 104 L HD2 . 16463 1
1148 . 1 1 110 110 LEU HD22 H 1 0.772 . . 2 . . . 104 L HD2 . 16463 1
1149 . 1 1 110 110 LEU HD23 H 1 0.772 . . 2 . . . 104 L HD2 . 16463 1
1150 . 1 1 110 110 LEU HG H 1 1.622 . . 1 . . . 104 L HG . 16463 1
1151 . 1 1 110 110 LEU H H 1 8.698 . . 1 . . . 104 L HN . 16463 1
1152 . 1 1 110 110 LEU N N 15 131.034 . . 1 . . . 104 L N . 16463 1
1153 . 1 1 111 111 GLU C C 13 174.129 . . . . . . 105 E C' . 16463 1
1154 . 1 1 111 111 GLU CA C 13 54.028 . . 1 . . . 105 E CA . 16463 1
1155 . 1 1 111 111 GLU CB C 13 34.205 . . 1 . . . 105 E CB . 16463 1
1156 . 1 1 111 111 GLU CG C 13 36.236 . . 1 . . . 105 E CG . 16463 1
1157 . 1 1 111 111 GLU HA H 1 4.836 . . 1 . . . 105 E HA . 16463 1
1158 . 1 1 111 111 GLU HB2 H 1 2.049 . . 2 . . . 105 E HB2 . 16463 1
1159 . 1 1 111 111 GLU HB3 H 1 1.850 . . 2 . . . 105 E HB3 . 16463 1
1160 . 1 1 111 111 GLU HG2 H 1 2.147 . . 2 . . . 105 E HG2 . 16463 1
1161 . 1 1 111 111 GLU HG3 H 1 2.147 . . 2 . . . 105 E HG3 . 16463 1
1162 . 1 1 111 111 GLU H H 1 8.724 . . 1 . . . 105 E HN . 16463 1
1163 . 1 1 111 111 GLU N N 15 124.486 . . 1 . . . 105 E N . 16463 1
1164 . 1 1 112 112 ILE C C 13 177.088 . . . . . . 106 I C' . 16463 1
1165 . 1 1 112 112 ILE CA C 13 59.682 . . 1 . . . 106 I CA . 16463 1
1166 . 1 1 112 112 ILE CB C 13 38.681 . . 1 . . . 106 I CB . 16463 1
1167 . 1 1 112 112 ILE CD1 C 13 12.989 . . 1 . . . 106 I CD1 . 16463 1
1168 . 1 1 112 112 ILE CG1 C 13 28.029 . . 1 . . . 106 I CG1 . 16463 1
1169 . 1 1 112 112 ILE CG2 C 13 17.910 . . 1 . . . 106 I CG2 . 16463 1
1170 . 1 1 112 112 ILE HA H 1 4.705 . . 1 . . . 106 I HA . 16463 1
1171 . 1 1 112 112 ILE HB H 1 1.680 . . 1 . . . 106 I HB . 16463 1
1172 . 1 1 112 112 ILE HD13 H 1 0.800 . . 1 . . . 106 I HD1 . 16463 1
1173 . 1 1 112 112 ILE HD12 H 1 0.800 . . 1 . . . 106 I HD1 . 16463 1
1174 . 1 1 112 112 ILE HD11 H 1 0.800 . . 1 . . . 106 I HD1 . 16463 1
1175 . 1 1 112 112 ILE HG12 H 1 1.515 . . 2 . . . 106 I HG12 . 16463 1
1176 . 1 1 112 112 ILE HG13 H 1 1.029 . . 2 . . . 106 I HG13 . 16463 1
1177 . 1 1 112 112 ILE HG21 H 1 0.908 . . 1 . . . 106 I HG2 . 16463 1
1178 . 1 1 112 112 ILE HG23 H 1 0.908 . . 1 . . . 106 I HG2 . 16463 1
1179 . 1 1 112 112 ILE HG22 H 1 0.908 . . 1 . . . 106 I HG2 . 16463 1
1180 . 1 1 112 112 ILE H H 1 8.350 . . 1 . . . 106 I HN . 16463 1
1181 . 1 1 112 112 ILE N N 15 120.652 . . 1 . . . 106 I N . 16463 1
1182 . 1 1 113 113 LYS C C 13 174.651 . . . . . . 107 K C' . 16463 1
1183 . 1 1 113 113 LYS CA C 13 56.106 . . 1 . . . 107 K CA . 16463 1
1184 . 1 1 113 113 LYS CB C 13 33.190 . . 1 . . . 107 K CB . 16463 1
1185 . 1 1 113 113 LYS CD C 13 29.328 . . 1 . . . 107 K CD . 16463 1
1186 . 1 1 113 113 LYS CE C 13 42.027 . . 1 . . . 107 K CE . 16463 1
1187 . 1 1 113 113 LYS CG C 13 24.487 . . 1 . . . 107 K CG . 16463 1
1188 . 1 1 113 113 LYS HA H 1 4.155 . . 1 . . . 107 K HA . 16463 1
1189 . 1 1 113 113 LYS HB2 H 1 1.598 . . 2 . . . 107 K HB2 . 16463 1
1190 . 1 1 113 113 LYS HB3 H 1 1.232 . . 2 . . . 107 K HB3 . 16463 1
1191 . 1 1 113 113 LYS HD2 H 1 1.622 . . 2 . . . 107 K HD2 . 16463 1
1192 . 1 1 113 113 LYS HD3 H 1 1.622 . . 2 . . . 107 K HD3 . 16463 1
1193 . 1 1 113 113 LYS HE2 H 1 2.954 . . 2 . . . 107 K HE2 . 16463 1
1194 . 1 1 113 113 LYS HE3 H 1 2.954 . . 2 . . . 107 K HE3 . 16463 1
1195 . 1 1 113 113 LYS HG2 H 1 1.316 . . 2 . . . 107 K HG2 . 16463 1
1196 . 1 1 113 113 LYS HG3 H 1 1.316 . . 2 . . . 107 K HG3 . 16463 1
1197 . 1 1 113 113 LYS H H 1 7.965 . . 1 . . . 107 K HN . 16463 1
1198 . 1 1 113 113 LYS N N 15 130.994 . . 1 . . . 107 K N . 16463 1
1199 . 1 1 114 114 ARG CA C 13 57.537 . . 1 . . . 108 R CA . 16463 1
1200 . 1 1 114 114 ARG CB C 13 31.449 . . 1 . . . 108 R CB . 16463 1
1201 . 1 1 114 114 ARG CD C 13 43.548 . . 1 . . . 108 R CD . 16463 1
1202 . 1 1 114 114 ARG CG C 13 27.354 . . 1 . . . 108 R CG . 16463 1
1203 . 1 1 114 114 ARG HA H 1 4.183 . . 1 . . . 108 R HA . 16463 1
1204 . 1 1 114 114 ARG HB2 H 1 1.858 . . 2 . . . 108 R HB2 . 16463 1
1205 . 1 1 114 114 ARG HB3 H 1 1.724 . . 2 . . . 108 R HB3 . 16463 1
1206 . 1 1 114 114 ARG HD2 H 1 3.195 . . 2 . . . 108 R HD2 . 16463 1
1207 . 1 1 114 114 ARG HD3 H 1 3.195 . . 2 . . . 108 R HD3 . 16463 1
1208 . 1 1 114 114 ARG HG2 H 1 1.632 . . 2 . . . 108 R HG2 . 16463 1
1209 . 1 1 114 114 ARG HG3 H 1 1.632 . . 2 . . . 108 R HG3 . 16463 1
1210 . 1 1 114 114 ARG H H 1 8.218 . . 1 . . . 108 R HN . 16463 1
1211 . 1 1 114 114 ARG N N 15 133.565 . . 1 . . . 108 R N . 16463 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 896 16463 1
1 897 16463 1
1 898 16463 1
1 899 16463 1
1 900 16463 1
1 901 16463 1
2 902 16463 1
stop_
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
stop_
loop_
_SPARTA_ouput.Data_ID
_SPARTA_ouput.Conformer_ID
_SPARTA_ouput.Data_type
_SPARTA_ouput.Data_atom
_SPARTA_ouput.Data_num_shifts
_SPARTA_ouput.Data_value
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
stop_
save_