NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
636876 |
6g4a   |
34249 | cing | 1-original | 1 | STAR | chemical shift |
# Restraints file 1: FL_structure_k9sarwZ.str
data_/Users/chris/Documents/Work/truncations/750-shifts/sammy_750_3D_291112/FL_structure.str
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 1
_Entry.Title "FLN5 (full length)"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
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 c.waudby@ucl.ac.uk Dr. Christopher Waudby A. . Christodoulou . "Department of Structural and Molecular Biology" UCL "Gower St" London . UK "WC1E 6BT" . . "responsible scientist" . 1
2 j.christodoulou@ucl.ac.uk Prof. John Christodoulou . . Christodoulou . "Department of Structural and Molecular Biology" UCL "Gower St" London . UK "WC1E 6BT" . . "principal investigator" . 1
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 Christopher Waudby . A. . 1
2 Tomasz Wlodarski . . . 1
3 Maria-Evangelia Karyadi . . . 1
4 Anais Cassaignau . M.E. . 1
5 Sammy Chan . H.S. . 1
6 Anne Wentink . S. . 1
7 Julian Schmidt-Engler . M. . 1
8 Carlo Camilloni . . . 1
9 Lisa Cabrita . D. . 1
10 Michele Vendruscolo . . . 1
11 John Christodoulou . . . 1
stop_
loop_
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
. Christodoulou . 1
. Vendruscolo . 1
. Camilloni . 1
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 1
spectral_peak_list 4 1
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
"15N chemical shifts" 95 1
"1H chemical shifts" 199 1
"13C chemical shifts" 269 1
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name MS1
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 12150.3566
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
1 750 1 $750 A . yes native . . . . "N-terminal His6 tag" 1 1
stop_
save_
save_750
_Entity.Sf_category entity
_Entity.Sf_framecode 750
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name 750
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;MHHHHHHASKPAPSAEHSYA
EGEGLVKVFDNAPAEFTIFA
VDTKGVARTDGGDPFEVAIN
GPDGLVVDAKVTDNNDGTYG
VVYDAPVEGNYNVNVTLRGN
PIKNMPIDVKCIEG
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 114
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Fragment "domain 5 (646-750)"
_Entity.Formula_weight 12150.3566
_Entity.Details "N-terminal His6 tag"
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
yes UniProt P13466 . P13466 . . . . . . . . . . . . . . 1 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 . MET . 1 1
2 . HIS . 1 1
3 . HIS . 1 1
4 . HIS . 1 1
5 . HIS . 1 1
6 . HIS . 1 1
7 . HIS . 1 1
8 . ALA . 1 1
9 . SER . 1 1
10 . LYS . 1 1
11 . PRO . 1 1
12 . ALA . 1 1
13 . PRO . 1 1
14 . SER . 1 1
15 . ALA . 1 1
16 . GLU . 1 1
17 . HIS . 1 1
18 . SER . 1 1
19 . TYR . 1 1
20 . ALA . 1 1
21 . GLU . 1 1
22 . GLY . 1 1
23 . GLU . 1 1
24 . GLY . 1 1
25 . LEU . 1 1
26 . VAL . 1 1
27 . LYS . 1 1
28 . VAL . 1 1
29 . PHE . 1 1
30 . ASP . 1 1
31 . ASN . 1 1
32 . ALA . 1 1
33 . PRO . 1 1
34 . ALA . 1 1
35 . GLU . 1 1
36 . PHE . 1 1
37 . THR . 1 1
38 . ILE . 1 1
39 . PHE . 1 1
40 . ALA . 1 1
41 . VAL . 1 1
42 . ASP . 1 1
43 . THR . 1 1
44 . LYS . 1 1
45 . GLY . 1 1
46 . VAL . 1 1
47 . ALA . 1 1
48 . ARG . 1 1
49 . THR . 1 1
50 . ASP . 1 1
51 . GLY . 1 1
52 . GLY . 1 1
53 . ASP . 1 1
54 . PRO . 1 1
55 . PHE . 1 1
56 . GLU . 1 1
57 . VAL . 1 1
58 . ALA . 1 1
59 . ILE . 1 1
60 . ASN . 1 1
61 . GLY . 1 1
62 . PRO . 1 1
63 . ASP . 1 1
64 . GLY . 1 1
65 . LEU . 1 1
66 . VAL . 1 1
67 . VAL . 1 1
68 . ASP . 1 1
69 . ALA . 1 1
70 . LYS . 1 1
71 . VAL . 1 1
72 . THR . 1 1
73 . ASP . 1 1
74 . ASN . 1 1
75 . ASN . 1 1
76 . ASP . 1 1
77 . GLY . 1 1
78 . THR . 1 1
79 . TYR . 1 1
80 . GLY . 1 1
81 . VAL . 1 1
82 . VAL . 1 1
83 . TYR . 1 1
84 . ASP . 1 1
85 . ALA . 1 1
86 . PRO . 1 1
87 . VAL . 1 1
88 . GLU . 1 1
89 . GLY . 1 1
90 . ASN . 1 1
91 . TYR . 1 1
92 . ASN . 1 1
93 . VAL . 1 1
94 . ASN . 1 1
95 . VAL . 1 1
96 . THR . 1 1
97 . LEU . 1 1
98 . ARG . 1 1
99 . GLY . 1 1
100 . ASN . 1 1
101 . PRO . 1 1
102 . ILE . 1 1
103 . LYS . 1 1
104 . ASN . 1 1
105 . MET . 1 1
106 . PRO . 1 1
107 . ILE . 1 1
108 . ASP . 1 1
109 . VAL . 1 1
110 . LYS . 1 1
111 . CYS . 1 1
112 . ILE . 1 1
113 . GLU . 1 1
114 . GLY . 1 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
. MET 1 1 1 1
. HIS 2 2 1 1
. HIS 3 3 1 1
. HIS 4 4 1 1
. HIS 5 5 1 1
. HIS 6 6 1 1
. HIS 7 7 1 1
. ALA 8 8 1 1
. SER 9 9 1 1
. LYS 10 10 1 1
. PRO 11 11 1 1
. ALA 12 12 1 1
. PRO 13 13 1 1
. SER 14 14 1 1
. ALA 15 15 1 1
. GLU 16 16 1 1
. HIS 17 17 1 1
. SER 18 18 1 1
. TYR 19 19 1 1
. ALA 20 20 1 1
. GLU 21 21 1 1
. GLY 22 22 1 1
. GLU 23 23 1 1
. GLY 24 24 1 1
. LEU 25 25 1 1
. VAL 26 26 1 1
. LYS 27 27 1 1
. VAL 28 28 1 1
. PHE 29 29 1 1
. ASP 30 30 1 1
. ASN 31 31 1 1
. ALA 32 32 1 1
. PRO 33 33 1 1
. ALA 34 34 1 1
. GLU 35 35 1 1
. PHE 36 36 1 1
. THR 37 37 1 1
. ILE 38 38 1 1
. PHE 39 39 1 1
. ALA 40 40 1 1
. VAL 41 41 1 1
. ASP 42 42 1 1
. THR 43 43 1 1
. LYS 44 44 1 1
. GLY 45 45 1 1
. VAL 46 46 1 1
. ALA 47 47 1 1
. ARG 48 48 1 1
. THR 49 49 1 1
. ASP 50 50 1 1
. GLY 51 51 1 1
. GLY 52 52 1 1
. ASP 53 53 1 1
. PRO 54 54 1 1
. PHE 55 55 1 1
. GLU 56 56 1 1
. VAL 57 57 1 1
. ALA 58 58 1 1
. ILE 59 59 1 1
. ASN 60 60 1 1
. GLY 61 61 1 1
. PRO 62 62 1 1
. ASP 63 63 1 1
. GLY 64 64 1 1
. LEU 65 65 1 1
. VAL 66 66 1 1
. VAL 67 67 1 1
. ASP 68 68 1 1
. ALA 69 69 1 1
. LYS 70 70 1 1
. VAL 71 71 1 1
. THR 72 72 1 1
. ASP 73 73 1 1
. ASN 74 74 1 1
. ASN 75 75 1 1
. ASP 76 76 1 1
. GLY 77 77 1 1
. THR 78 78 1 1
. TYR 79 79 1 1
. GLY 80 80 1 1
. VAL 81 81 1 1
. VAL 82 82 1 1
. TYR 83 83 1 1
. ASP 84 84 1 1
. ALA 85 85 1 1
. PRO 86 86 1 1
. VAL 87 87 1 1
. GLU 88 88 1 1
. GLY 89 89 1 1
. ASN 90 90 1 1
. TYR 91 91 1 1
. ASN 92 92 1 1
. VAL 93 93 1 1
. ASN 94 94 1 1
. VAL 95 95 1 1
. THR 96 96 1 1
. LEU 97 97 1 1
. ARG 98 98 1 1
. GLY 99 99 1 1
. ASN 100 100 1 1
. PRO 101 101 1 1
. ILE 102 102 1 1
. LYS 103 103 1 1
. ASN 104 104 1 1
. MET 105 105 1 1
. PRO 106 106 1 1
. ILE 107 107 1 1
. ASP 108 108 1 1
. VAL 109 109 1 1
. LYS 110 110 1 1
. CYS 111 111 1 1
. ILE 112 112 1 1
. GLU 113 113 1 1
. GLY 114 114 1 1
stop_
save_
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 1
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $750 . "recombinant technology" "Escherichia coli" "Escherichia coli" . . . . BL21(DE3) . . . . . . . . . . . . plasmid . . . . . . . . . 1 1
stop_
save_
save_sample1
_Sample.Sf_category sample
_Sample.Sf_framecode sample1
_Sample.Entry_ID 1
_Sample.ID 1
_Sample.Type solution
_Sample.Solvent_system "90% H2O/10% D2O"
save_
save_sample_conditions
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions
_Sample_condition_list.Entry_ID 1
_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
pH 7.500 . pH 1 1
pressure 1.000 . atm 1 1
temperature 283.000 . K 1 1
stop_
save_
save_CcpNmr_Analysis_2.2
_Software.Sf_category software
_Software.Sf_framecode CcpNmr_Analysis_2.2
_Software.Entry_ID 1
_Software.ID 1
_Software.Name "CcpNmr Analysis"
_Software.Version 2.2
_Software.Details "The CCPN NMR assignment and data analysis application"
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
CCPN "Department of Biochemistry, Cambridge CB2 1GA, UK" http://www.ccpn.ac.uk 1 1
stop_
save_
save_700
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 700
_NMR_spectrometer.Entry_ID 1
_NMR_spectrometer.ID 1
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Field_strength 700
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 1
_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
1 700 Bruker Avance . 700 . . . 1 1
stop_
save_
save_txi
_NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe
_NMR_spectrometer_probe.Sf_framecode txi
_NMR_spectrometer_probe.Entry_ID 1
_NMR_spectrometer_probe.ID 1
_NMR_spectrometer_probe.Manufacturer Bruker
_NMR_spectrometer_probe.Model "TXI cryoprobe"
loop_
_NMR_probe.Type
_NMR_probe.Entry_ID
_NMR_probe.NMR_spectrometer_probe_ID
liquid 1 1
stop_
save_
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 1
_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 "3D HBHA(CO)NH" no . . 1 $sample1 isotropic . . 1 $sample_conditions . . . 1 $700 1 $txi . . 1 1
2 "HNcoCACB (H[N[co[{CA|ca[C]}]]])" no . . 1 $sample1 isotropic . . 1 $sample_conditions . . . 1 $700 1 $txi . . 1 1
3 "3D HNCO" no . . 1 $sample1 isotropic . . 1 $sample_conditions . . . 1 $700 1 $txi . . 1 1
4 "2D 1H-15N HSQC/HMQC" no . . 1 $sample1 isotropic . . 1 $sample_conditions . . . 1 $700 1 $txi . . 1 1
stop_
save_
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 1
_Chem_shift_reference.ID 1
_Chem_shift_reference.Proton_shifts_flag "yes with IUPAC referencing"
_Chem_shift_reference.Carbon_shifts_flag "yes with IUPAC referencing"
_Chem_shift_reference.Nitrogen_shifts_flag "yes with IUPAC referencing"
_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.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 DSS "methyl protons" . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 1 1
C 13 DSS "methyl protons" . . . . ppm 0.0 n/a indirect 0.251449530 . . . . . . . . . 1 1
N 15 DSS "methyl protons" . . . . ppm 0.0 n/a indirect 0.101329118 . . . . . . . . . 1 1
stop_
save_
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 1
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Data_file_name "From CCPN project: '750_283K_3Ds_with_atom_types'"
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 "3D HBHA(CO)NH" 1 $sample1 isotropic 1 1
2 "HNcoCACB (H[N[co[{CA|ca[C]}]]])" 1 $sample1 isotropic 1 1
3 "3D HNCO" 1 $sample1 isotropic 1 1
4 "2D 1H-15N HSQC/HMQC" 1 $sample1 isotropic 1 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CcpNmr_Analysis_2.2 0 . 1 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.PDB_record_ID
_Atom_chem_shift.PDB_model_num
_Atom_chem_shift.PDB_strand_ID
_Atom_chem_shift.PDB_ins_code
_Atom_chem_shift.PDB_residue_no
_Atom_chem_shift.PDB_residue_name
_Atom_chem_shift.PDB_atom_name
_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 31 31 ASN N N 15 116.187 0.01 . 1 . 5 . . . . . . . . . . . . 1 1
2 . 1 1 31 31 ASN H H 1 7.781 0.003 . 1 . 6 . . . . . . . . . . . . 1 1
3 . 1 1 39 39 PHE N N 15 128.216 0.018 . 1 . 7 . . . . . . . . . . . . 1 1
4 . 1 1 39 39 PHE H H 1 9.426 0.004 . 1 . 8 . . . . . . . . . . . . 1 1
5 . 1 1 14 14 SER N N 15 112.773 0.005 . 1 . 9 . . . . . . . . . . . . 1 1
6 . 1 1 14 14 SER H H 1 9.116 0.003 . 1 . 10 . . . . . . . . . . . . 1 1
7 . 1 1 19 19 TYR N N 15 116.971 0.019 . 1 . 11 . . . . . . . . . . . . 1 1
8 . 1 1 19 19 TYR H H 1 8.432 0.003 . 1 . 12 . . . . . . . . . . . . 1 1
9 . 1 1 47 47 ALA N N 15 131.643 0.019 . 1 . 13 . . . . . . . . . . . . 1 1
10 . 1 1 47 47 ALA H H 1 8.963 0.002 . 1 . 14 . . . . . . . . . . . . 1 1
11 . 1 1 60 60 ASN N N 15 126.068 0.007 . 1 . 15 . . . . . . . . . . . . 1 1
12 . 1 1 60 60 ASN H H 1 8.692 0.003 . 1 . 16 . . . . . . . . . . . . 1 1
13 . 1 1 29 29 PHE N N 15 121.588 0.018 . 1 . 17 . . . . . . . . . . . . 1 1
14 . 1 1 29 29 PHE H H 1 9.160 0.002 . 1 . 18 . . . . . . . . . . . . 1 1
15 . 1 1 32 32 ALA N N 15 122.132 0.015 . 1 . 21 . . . . . . . . . . . . 1 1
16 . 1 1 32 32 ALA H H 1 7.453 0.002 . 1 . 22 . . . . . . . . . . . . 1 1
17 . 1 1 51 51 GLY N N 15 104.048 0.012 . 1 . 23 . . . . . . . . . . . . 1 1
18 . 1 1 51 51 GLY H H 1 8.152 0.003 . 1 . 24 . . . . . . . . . . . . 1 1
19 . 1 1 96 96 THR N N 15 115.995 0.021 . 1 . 27 . . . . . . . . . . . . 1 1
20 . 1 1 96 96 THR H H 1 9.229 0.003 . 1 . 28 . . . . . . . . . . . . 1 1
21 . 1 1 111 111 CYS N N 15 125.070 0.008 . 1 . 29 . . . . . . . . . . . . 1 1
22 . 1 1 111 111 CYS H H 1 9.323 0.003 . 1 . 30 . . . . . . . . . . . . 1 1
23 . 1 1 110 110 LYS N N 15 126.752 0.017 . 1 . 31 . . . . . . . . . . . . 1 1
24 . 1 1 110 110 LYS H H 1 8.416 0.003 . 1 . 32 . . . . . . . . . . . . 1 1
25 . 1 1 70 70 LYS N N 15 123.318 0.011 . 1 . 33 . . . . . . . . . . . . 1 1
26 . 1 1 70 70 LYS H H 1 8.867 0.002 . 1 . 34 . . . . . . . . . . . . 1 1
27 . 1 1 40 40 ALA N N 15 124.837 0.01 . 1 . 35 . . . . . . . . . . . . 1 1
28 . 1 1 40 40 ALA H H 1 8.703 0.002 . 1 . 36 . . . . . . . . . . . . 1 1
29 . 1 1 92 92 ASN N N 15 123.066 0.011 . 1 . 37 . . . . . . . . . . . . 1 1
30 . 1 1 92 92 ASN H H 1 8.969 0.001 . 1 . 38 . . . . . . . . . . . . 1 1
31 . 1 1 46 46 VAL N N 15 125.620 0.026 . 1 . 39 . . . . . . . . . . . . 1 1
32 . 1 1 46 46 VAL H H 1 8.449 0.004 . 1 . 40 . . . . . . . . . . . . 1 1
33 . 1 1 66 66 VAL N N 15 129.486 . . 1 . 43 . . . . . . . . . . . . 1 1
34 . 1 1 66 66 VAL H H 1 8.744 . . 1 . 44 . . . . . . . . . . . . 1 1
35 . 1 1 44 44 LYS N N 15 122.119 0.027 . 1 . 45 . . . . . . . . . . . . 1 1
36 . 1 1 44 44 LYS H H 1 9.006 0.004 . 1 . 46 . . . . . . . . . . . . 1 1
37 . 1 1 21 21 GLU N N 15 116.682 0.031 . 1 . 49 . . . . . . . . . . . . 1 1
38 . 1 1 21 21 GLU H H 1 9.189 0.003 . 1 . 50 . . . . . . . . . . . . 1 1
39 . 1 1 43 43 THR N N 15 104.540 0.006 . 1 . 52 . . . . . . . . . . . . 1 1
40 . 1 1 43 43 THR H H 1 7.517 0.003 . 1 . 53 . . . . . . . . . . . . 1 1
41 . 1 1 65 65 LEU N N 15 123.269 0.022 . 1 . 54 . . . . . . . . . . . . 1 1
42 . 1 1 65 65 LEU H H 1 7.136 0.006 . 1 . 55 . . . . . . . . . . . . 1 1
43 . 1 1 95 95 VAL N N 15 128.263 0.009 . 1 . 58 . . . . . . . . . . . . 1 1
44 . 1 1 95 95 VAL H H 1 7.598 0.004 . 1 . 59 . . . . . . . . . . . . 1 1
45 . 1 1 84 84 ASP N N 15 119.294 0.015 . 1 . 60 . . . . . . . . . . . . 1 1
46 . 1 1 84 84 ASP H H 1 8.315 0.004 . 1 . 61 . . . . . . . . . . . . 1 1
47 . 1 1 98 98 ARG N N 15 129.132 0.05 . 1 . 62 . . . . . . . . . . . . 1 1
48 . 1 1 98 98 ARG H H 1 9.490 0.003 . 1 . 63 . . . . . . . . . . . . 1 1
49 . 1 1 28 28 VAL N N 15 123.206 0.015 . 1 . 64 . . . . . . . . . . . . 1 1
50 . 1 1 28 28 VAL H H 1 7.949 0.002 . 1 . 65 . . . . . . . . . . . . 1 1
51 . 1 1 34 34 ALA N N 15 128.367 0.014 . 1 . 66 . . . . . . . . . . . . 1 1
52 . 1 1 34 34 ALA H H 1 8.942 0.001 . 1 . 67 . . . . . . . . . . . . 1 1
53 . 1 1 50 50 ASP N N 15 119.110 0.006 . 1 . 70 . . . . . . . . . . . . 1 1
54 . 1 1 50 50 ASP H H 1 7.480 0.002 . 1 . 71 . . . . . . . . . . . . 1 1
55 . 1 1 45 45 GLY N N 15 108.685 0.018 . 1 . 72 . . . . . . . . . . . . 1 1
56 . 1 1 45 45 GLY H H 1 8.124 0.002 . 1 . 73 . . . . . . . . . . . . 1 1
57 . 1 1 38 38 ILE N N 15 125.363 0.046 . 1 . 76 . . . . . . . . . . . . 1 1
58 . 1 1 38 38 ILE H H 1 9.367 0.003 . 1 . 77 . . . . . . . . . . . . 1 1
59 . 1 1 82 82 VAL N N 15 126.633 0.043 . 1 . 78 . . . . . . . . . . . . 1 1
60 . 1 1 82 82 VAL H H 1 8.390 0.003 . 1 . 79 . . . . . . . . . . . . 1 1
61 . 1 1 25 25 LEU N N 15 115.672 0.01 . 1 . 80 . . . . . . . . . . . . 1 1
62 . 1 1 25 25 LEU H H 1 7.736 0.003 . 1 . 81 . . . . . . . . . . . . 1 1
63 . 1 1 79 79 TYR N N 15 120.110 0.041 . 1 . 82 . . . . . . . . . . . . 1 1
64 . 1 1 79 79 TYR H H 1 8.704 0.005 . 1 . 83 . . . . . . . . . . . . 1 1
65 . 1 1 56 56 GLU N N 15 121.699 0.017 . 1 . 84 . . . . . . . . . . . . 1 1
66 . 1 1 56 56 GLU H H 1 9.028 0.001 . 1 . 85 . . . . . . . . . . . . 1 1
67 . 1 1 12 12 ALA N N 15 125.994 0.013 . 1 . 90 . . . . . . . . . . . . 1 1
68 . 1 1 12 12 ALA H H 1 8.730 0.002 . 1 . 91 . . . . . . . . . . . . 1 1
69 . 1 1 97 97 LEU N N 15 119.526 0.008 . 1 . 92 . . . . . . . . . . . . 1 1
70 . 1 1 97 97 LEU H H 1 8.718 0.005 . 1 . 93 . . . . . . . . . . . . 1 1
71 . 1 1 75 75 ASN N N 15 117.003 0.015 . 1 . 94 . . . . . . . . . . . . 1 1
72 . 1 1 75 75 ASN H H 1 9.485 0.002 . 1 . 95 . . . . . . . . . . . . 1 1
73 . 1 1 108 108 ASP N N 15 125.612 0.011 . 1 . 98 . . . . . . . . . . . . 1 1
74 . 1 1 108 108 ASP H H 1 8.241 0.003 . 1 . 99 . . . . . . . . . . . . 1 1
75 . 1 1 93 93 VAL N N 15 128.971 0.016 . 1 . 103 . . . . . . . . . . . . 1 1
76 . 1 1 93 93 VAL H H 1 9.494 0.002 . 1 . 104 . . . . . . . . . . . . 1 1
77 . 1 1 16 16 GLU N N 15 114.262 0.007 . 1 . 105 . . . . . . . . . . . . 1 1
78 . 1 1 16 16 GLU H H 1 7.951 0.002 . 1 . 106 . . . . . . . . . . . . 1 1
79 . 1 1 35 35 GLU N N 15 117.805 0.012 . 1 . 107 . . . . . . . . . . . . 1 1
80 . 1 1 35 35 GLU H H 1 8.527 0.001 . 1 . 108 . . . . . . . . . . . . 1 1
81 . 1 1 91 91 TYR N N 15 125.090 0.014 . 1 . 109 . . . . . . . . . . . . 1 1
82 . 1 1 91 91 TYR H H 1 9.575 0.003 . 1 . 110 . . . . . . . . . . . . 1 1
83 . 1 1 48 48 ARG N N 15 124.425 0.034 . 1 . 112 . . . . . . . . . . . . 1 1
84 . 1 1 48 48 ARG H H 1 8.746 0.002 . 1 . 113 . . . . . . . . . . . . 1 1
85 . 1 1 64 64 GLY N N 15 105.026 0.013 . 1 . 117 . . . . . . . . . . . . 1 1
86 . 1 1 64 64 GLY H H 1 8.170 0.002 . 1 . 118 . . . . . . . . . . . . 1 1
87 . 1 1 103 103 LYS N N 15 120.254 0.029 . 1 . 119 . . . . . . . . . . . . 1 1
88 . 1 1 103 103 LYS H H 1 7.713 0.004 . 1 . 120 . . . . . . . . . . . . 1 1
89 . 1 1 83 83 TYR N N 15 124.452 0.015 . 1 . 121 . . . . . . . . . . . . 1 1
90 . 1 1 83 83 TYR H H 1 9.392 0.001 . 1 . 122 . . . . . . . . . . . . 1 1
91 . 1 1 49 49 THR N N 15 107.035 0.015 . 1 . 123 . . . . . . . . . . . . 1 1
92 . 1 1 49 49 THR H H 1 8.467 0.006 . 1 . 124 . . . . . . . . . . . . 1 1
93 . 1 1 57 57 VAL N N 15 120.930 0.022 . 1 . 125 . . . . . . . . . . . . 1 1
94 . 1 1 57 57 VAL H H 1 8.950 0.003 . 1 . 126 . . . . . . . . . . . . 1 1
95 . 1 1 112 112 ILE N N 15 126.192 0.042 . 1 . 127 . . . . . . . . . . . . 1 1
96 . 1 1 112 112 ILE H H 1 8.689 0.005 . 1 . 128 . . . . . . . . . . . . 1 1
97 . 1 1 42 42 ASP N N 15 127.088 0.021 . 1 . 129 . . . . . . . . . . . . 1 1
98 . 1 1 42 42 ASP H H 1 9.035 0.002 . 1 . 130 . . . . . . . . . . . . 1 1
99 . 1 1 26 26 VAL N N 15 122.044 0.011 . 1 . 136 . . . . . . . . . . . . 1 1
100 . 1 1 26 26 VAL H H 1 8.097 0.003 . 1 . 137 . . . . . . . . . . . . 1 1
101 . 1 1 100 100 ASN N N 15 119.957 0.015 . 1 . 138 . . . . . . . . . . . . 1 1
102 . 1 1 100 100 ASN H H 1 7.638 0.003 . 1 . 139 . . . . . . . . . . . . 1 1
103 . 1 1 109 109 VAL N N 15 126.815 0.013 . 1 . 140 . . . . . . . . . . . . 1 1
104 . 1 1 109 109 VAL H H 1 9.664 0.002 . 1 . 141 . . . . . . . . . . . . 1 1
105 . 1 1 71 71 VAL N N 15 129.520 0.004 . 1 . 142 . . . . . . . . . . . . 1 1
106 . 1 1 71 71 VAL H H 1 9.021 0.001 . 1 . 143 . . . . . . . . . . . . 1 1
107 . 1 1 30 30 ASP N N 15 118.966 0.019 . 1 . 148 . . . . . . . . . . . . 1 1
108 . 1 1 30 30 ASP H H 1 8.015 0.002 . 1 . 149 . . . . . . . . . . . . 1 1
109 . 1 1 18 18 SER N N 15 117.259 0.009 . 1 . 150 . . . . . . . . . . . . 1 1
110 . 1 1 18 18 SER H H 1 7.634 0.003 . 1 . 151 . . . . . . . . . . . . 1 1
111 . 1 1 27 27 LYS N N 15 121.995 0.005 . 1 . 152 . . . . . . . . . . . . 1 1
112 . 1 1 27 27 LYS H H 1 8.338 0.002 . 1 . 153 . . . . . . . . . . . . 1 1
113 . 1 1 52 52 GLY N N 15 108.551 0.012 . 1 . 154 . . . . . . . . . . . . 1 1
114 . 1 1 52 52 GLY H H 1 9.915 0.001 . 1 . 155 . . . . . . . . . . . . 1 1
115 . 1 1 78 78 THR N N 15 108.525 0.008 . 1 . 156 . . . . . . . . . . . . 1 1
116 . 1 1 78 78 THR H H 1 7.983 0.001 . 1 . 157 . . . . . . . . . . . . 1 1
117 . 1 1 90 90 ASN N N 15 119.554 0.009 . 1 . 158 . . . . . . . . . . . . 1 1
118 . 1 1 90 90 ASN H H 1 8.611 0.002 . 1 . 159 . . . . . . . . . . . . 1 1
119 . 1 1 37 37 THR N N 15 116.681 0.013 . 1 . 160 . . . . . . . . . . . . 1 1
120 . 1 1 37 37 THR H H 1 8.910 0.003 . 1 . 161 . . . . . . . . . . . . 1 1
121 . 1 1 99 99 GLY N N 15 102.781 0.013 . 1 . 162 . . . . . . . . . . . . 1 1
122 . 1 1 99 99 GLY H H 1 8.804 0.002 . 1 . 163 . . . . . . . . . . . . 1 1
123 . 1 1 59 59 ILE N N 15 124.817 0.005 . 1 . 164 . . . . . . . . . . . . 1 1
124 . 1 1 59 59 ILE H H 1 9.202 0.002 . 1 . 165 . . . . . . . . . . . . 1 1
125 . 1 1 105 105 MET N N 15 115.945 0.014 . 1 . 169 . . . . . . . . . . . . 1 1
126 . 1 1 105 105 MET H H 1 7.497 0.004 . 1 . 170 . . . . . . . . . . . . 1 1
127 . 1 1 69 69 ALA N N 15 128.043 0.028 . 1 . 173 . . . . . . . . . . . . 1 1
128 . 1 1 69 69 ALA H H 1 8.884 0.004 . 1 . 174 . . . . . . . . . . . . 1 1
129 . 1 1 61 61 GLY N N 15 112.395 0.038 . 1 . 175 . . . . . . . . . . . . 1 1
130 . 1 1 61 61 GLY H H 1 9.428 0.008 . 1 . 176 . . . . . . . . . . . . 1 1
131 . 1 1 113 113 GLU N N 15 121.628 0.005 . 1 . 177 . . . . . . . . . . . . 1 1
132 . 1 1 113 113 GLU H H 1 8.465 0.001 . 1 . 178 . . . . . . . . . . . . 1 1
133 . 1 1 73 73 ASP H H 1 8.951 0.002 . 1 . 179 . . . . . . . . . . . . 1 1
134 . 1 1 114 114 GLY N N 15 119.586 0.011 . 1 . 180 . . . . . . . . . . . . 1 1
135 . 1 1 114 114 GLY H H 1 8.737 0.001 . 1 . 181 . . . . . . . . . . . . 1 1
136 . 1 1 107 107 ILE N N 15 119.748 0.01 . 1 . 182 . . . . . . . . . . . . 1 1
137 . 1 1 107 107 ILE H H 1 9.138 0.001 . 1 . 183 . . . . . . . . . . . . 1 1
138 . 1 1 74 74 ASN N N 15 124.999 0.013 . 1 . 185 . . . . . . . . . . . . 1 1
139 . 1 1 74 74 ASN H H 1 7.476 0.003 . 1 . 186 . . . . . . . . . . . . 1 1
140 . 1 1 67 67 VAL N N 15 129.436 0.018 . 1 . 187 . . . . . . . . . . . . 1 1
141 . 1 1 67 67 VAL H H 1 8.112 0.004 . 1 . 188 . . . . . . . . . . . . 1 1
142 . 1 1 55 55 PHE N N 15 123.131 0.02 . 1 . 189 . . . . . . . . . . . . 1 1
143 . 1 1 55 55 PHE H H 1 7.660 0.003 . 1 . 190 . . . . . . . . . . . . 1 1
144 . 1 1 41 41 VAL N N 15 127.780 0.013 . 1 . 191 . . . . . . . . . . . . 1 1
145 . 1 1 41 41 VAL H H 1 9.313 0.003 . 1 . 192 . . . . . . . . . . . . 1 1
146 . 1 1 89 89 GLY N N 15 107.305 0.009 . 1 . 193 . . . . . . . . . . . . 1 1
147 . 1 1 89 89 GLY H H 1 8.331 0.004 . 1 . 194 . . . . . . . . . . . . 1 1
148 . 1 1 36 36 PHE N N 15 115.949 0.024 . 1 . 195 . . . . . . . . . . . . 1 1
149 . 1 1 36 36 PHE H H 1 8.777 0.002 . 1 . 196 . . . . . . . . . . . . 1 1
150 . 1 1 22 22 GLY N N 15 112.955 0.013 . 1 . 197 . . . . . . . . . . . . 1 1
151 . 1 1 22 22 GLY H H 1 8.936 0.002 . 1 . 198 . . . . . . . . . . . . 1 1
152 . 1 1 80 80 GLY N N 15 112.517 0.022 . 1 . 200 . . . . . . . . . . . . 1 1
153 . 1 1 80 80 GLY H H 1 9.204 0.004 . 1 . 201 . . . . . . . . . . . . 1 1
154 . 1 1 87 87 VAL N N 15 113.920 0.029 . 1 . 202 . . . . . . . . . . . . 1 1
155 . 1 1 87 87 VAL H H 1 6.873 0.005 . 1 . 203 . . . . . . . . . . . . 1 1
156 . 1 1 72 72 THR N N 15 126.672 0.028 . 1 . 204 . . . . . . . . . . . . 1 1
157 . 1 1 72 72 THR H H 1 9.967 0.001 . 1 . 205 . . . . . . . . . . . . 1 1
158 . 1 1 77 77 GLY N N 15 110.089 0.012 . 1 . 206 . . . . . . . . . . . . 1 1
159 . 1 1 77 77 GLY H H 1 8.179 0.006 . 1 . 207 . . . . . . . . . . . . 1 1
160 . 1 1 88 88 GLU N N 15 126.538 0.01 . 1 . 208 . . . . . . . . . . . . 1 1
161 . 1 1 88 88 GLU H H 1 9.186 0.001 . 1 . 209 . . . . . . . . . . . . 1 1
162 . 1 1 58 58 ALA N N 15 131.758 0.014 . 1 . 210 . . . . . . . . . . . . 1 1
163 . 1 1 58 58 ALA H H 1 8.583 0.002 . 1 . 211 . . . . . . . . . . . . 1 1
164 . 1 1 94 94 ASN N N 15 123.334 0.017 . 1 . 212 . . . . . . . . . . . . 1 1
165 . 1 1 94 94 ASN H H 1 8.923 0.004 . 1 . 213 . . . . . . . . . . . . 1 1
166 . 1 1 81 81 VAL N N 15 123.858 0.024 . 1 . 214 . . . . . . . . . . . . 1 1
167 . 1 1 81 81 VAL H H 1 8.784 0.004 . 1 . 215 . . . . . . . . . . . . 1 1
168 . 1 1 53 53 ASP N N 15 121.996 0.026 . 1 . 216 . . . . . . . . . . . . 1 1
169 . 1 1 53 53 ASP H H 1 8.656 0.004 . 1 . 217 . . . . . . . . . . . . 1 1
170 . 1 1 68 68 ASP N N 15 127.940 0.05 . 1 . 218 . . . . . . . . . . . . 1 1
171 . 1 1 68 68 ASP H H 1 9.049 0.004 . 1 . 219 . . . . . . . . . . . . 1 1
172 . 1 1 85 85 ALA N N 15 127.720 0.013 . 1 . 220 . . . . . . . . . . . . 1 1
173 . 1 1 17 17 HIS N N 15 111.572 0.005 . 1 . 221 . . . . . . . . . . . . 1 1
174 . 1 1 17 17 HIS H H 1 7.053 0.005 . 1 . 222 . . . . . . . . . . . . 1 1
175 . 1 1 24 24 GLY N N 15 104.681 0.019 . 1 . 225 . . . . . . . . . . . . 1 1
176 . 1 1 24 24 GLY H H 1 9.165 0.002 . 1 . 226 . . . . . . . . . . . . 1 1
177 . 1 1 102 102 ILE N N 15 113.943 0.069 . 1 . 227 . . . . . . . . . . . . 1 1
178 . 1 1 102 102 ILE H H 1 7.694 0.004 . 1 . 228 . . . . . . . . . . . . 1 1
179 . 1 1 76 76 ASP N N 15 115.958 0.011 . 1 . 229 . . . . . . . . . . . . 1 1
180 . 1 1 76 76 ASP H H 1 7.761 0.004 . 1 . 230 . . . . . . . . . . . . 1 1
181 . 1 1 20 20 ALA N N 15 122.765 0.018 . 1 . 231 . . . . . . . . . . . . 1 1
182 . 1 1 20 20 ALA H H 1 9.761 0.002 . 1 . 232 . . . . . . . . . . . . 1 1
183 . 1 1 85 85 ALA H H 1 8.794 0.002 . 1 . 233 . . . . . . . . . . . . 1 1
184 . 1 1 104 104 ASN N N 15 117.416 0.004 . 1 . 236 . . . . . . . . . . . . 1 1
185 . 1 1 104 104 ASN H H 1 9.033 0.002 . 1 . 237 . . . . . . . . . . . . 1 1
186 . 1 1 11 11 PRO C C 13 174.887 . . 1 . 436 . . . . . . . . . . . . 1 1
187 . 1 1 13 13 PRO C C 13 174.846 . . 1 . 437 . . . . . . . . . . . . 1 1
188 . 1 1 15 15 ALA C C 13 176.991 . . 1 . 438 . . . . . . . . . . . . 1 1
189 . 1 1 16 16 GLU C C 13 177.458 . . 1 . 439 . . . . . . . . . . . . 1 1
190 . 1 1 17 17 HIS C C 13 177.131 . . 1 . 440 . . . . . . . . . . . . 1 1
191 . 1 1 18 18 SER C C 13 170.316 . . 1 . 441 . . . . . . . . . . . . 1 1
192 . 1 1 19 19 TYR C C 13 170.885 . . 1 . 442 . . . . . . . . . . . . 1 1
193 . 1 1 20 20 ALA C C 13 175.664 . . 1 . 443 . . . . . . . . . . . . 1 1
194 . 1 1 21 21 GLU C C 13 175.881 . . 1 . 444 . . . . . . . . . . . . 1 1
195 . 1 1 23 23 GLU C C 13 179.012 . . 1 . 445 . . . . . . . . . . . . 1 1
196 . 1 1 24 24 GLY C C 13 171.715 . . 1 . 446 . . . . . . . . . . . . 1 1
197 . 1 1 25 25 LEU C C 13 176.471 . . 1 . 447 . . . . . . . . . . . . 1 1
198 . 1 1 26 26 VAL C C 13 175.155 . . 1 . 448 . . . . . . . . . . . . 1 1
199 . 1 1 27 27 LYS C C 13 172.863 . . 1 . 449 . . . . . . . . . . . . 1 1
200 . 1 1 28 28 VAL C C 13 172.677 . . 1 . 450 . . . . . . . . . . . . 1 1
201 . 1 1 29 29 PHE C C 13 176.915 . . 1 . 451 . . . . . . . . . . . . 1 1
202 . 1 1 30 30 ASP C C 13 177.260 . . 1 . 452 . . . . . . . . . . . . 1 1
203 . 1 1 31 31 ASN C C 13 175.220 . . 1 . 453 . . . . . . . . . . . . 1 1
204 . 1 1 33 33 PRO C C 13 175.133 . . 1 . 454 . . . . . . . . . . . . 1 1
205 . 1 1 34 34 ALA C C 13 175.901 . . 1 . 455 . . . . . . . . . . . . 1 1
206 . 1 1 35 35 GLU C C 13 176.904 . . 1 . 456 . . . . . . . . . . . . 1 1
207 . 1 1 36 36 PHE C C 13 171.347 . . 1 . 457 . . . . . . . . . . . . 1 1
208 . 1 1 37 37 THR C C 13 172.945 . . 1 . 458 . . . . . . . . . . . . 1 1
209 . 1 1 38 38 ILE C C 13 173.306 . . 1 . 459 . . . . . . . . . . . . 1 1
210 . 1 1 39 39 PHE C C 13 173.599 . . 1 . 460 . . . . . . . . . . . . 1 1
211 . 1 1 40 40 ALA C C 13 177.670 . . 1 . 461 . . . . . . . . . . . . 1 1
212 . 1 1 41 41 VAL C C 13 174.055 . . 1 . 462 . . . . . . . . . . . . 1 1
213 . 1 1 42 42 ASP C C 13 177.917 . . 1 . 463 . . . . . . . . . . . . 1 1
214 . 1 1 43 43 THR C C 13 175.642 . . 1 . 464 . . . . . . . . . . . . 1 1
215 . 1 1 44 44 LYS C C 13 176.933 . . 1 . 465 . . . . . . . . . . . . 1 1
216 . 1 1 45 45 GLY C C 13 173.708 . . 1 . 466 . . . . . . . . . . . . 1 1
217 . 1 1 46 46 VAL C C 13 175.800 . . 1 . 467 . . . . . . . . . . . . 1 1
218 . 1 1 47 47 ALA C C 13 179.839 . . 1 . 468 . . . . . . . . . . . . 1 1
219 . 1 1 48 48 ARG C C 13 176.979 . . 1 . 469 . . . . . . . . . . . . 1 1
220 . 1 1 49 49 THR C C 13 174.067 . . 1 . 470 . . . . . . . . . . . . 1 1
221 . 1 1 50 50 ASP C C 13 174.314 . . 1 . 471 . . . . . . . . . . . . 1 1
222 . 1 1 51 51 GLY C C 13 174.960 . . 1 . 472 . . . . . . . . . . . . 1 1
223 . 1 1 52 52 GLY C C 13 175.146 . . 1 . 473 . . . . . . . . . . . . 1 1
224 . 1 1 54 54 PRO C C 13 175.256 . . 1 . 474 . . . . . . . . . . . . 1 1
225 . 1 1 55 55 PHE C C 13 175.967 . . 1 . 475 . . . . . . . . . . . . 1 1
226 . 1 1 56 56 GLU C C 13 174.440 . . 1 . 476 . . . . . . . . . . . . 1 1
227 . 1 1 57 57 VAL C C 13 173.901 . . 1 . 477 . . . . . . . . . . . . 1 1
228 . 1 1 58 58 ALA C C 13 176.203 . . 1 . 478 . . . . . . . . . . . . 1 1
229 . 1 1 59 59 ILE C C 13 173.910 . . 1 . 479 . . . . . . . . . . . . 1 1
230 . 1 1 111 111 CYS C C 13 175.312 . . 1 . 480 . . . . . . . . . . . . 1 1
231 . 1 1 60 60 ASN C C 13 175.202 . . 1 . 481 . . . . . . . . . . . . 1 1
232 . 1 1 63 63 ASP C C 13 176.119 . . 1 . 482 . . . . . . . . . . . . 1 1
233 . 1 1 64 64 GLY C C 13 174.556 . . 1 . 483 . . . . . . . . . . . . 1 1
234 . 1 1 66 66 VAL C C 13 176.100 . . 1 . 484 . . . . . . . . . . . . 1 1
235 . 1 1 67 67 VAL C C 13 174.532 . . 1 . 485 . . . . . . . . . . . . 1 1
236 . 1 1 68 68 ASP C C 13 174.915 . . 1 . 486 . . . . . . . . . . . . 1 1
237 . 1 1 69 69 ALA C C 13 176.379 . . 1 . 487 . . . . . . . . . . . . 1 1
238 . 1 1 70 70 LYS C C 13 175.846 . . 1 . 488 . . . . . . . . . . . . 1 1
239 . 1 1 71 71 VAL C C 13 176.197 . . 1 . 489 . . . . . . . . . . . . 1 1
240 . 1 1 73 73 ASP C C 13 176.103 . . 1 . 490 . . . . . . . . . . . . 1 1
241 . 1 1 74 74 ASN C C 13 174.535 . . 1 . 491 . . . . . . . . . . . . 1 1
242 . 1 1 75 75 ASN C C 13 173.069 . . 1 . 492 . . . . . . . . . . . . 1 1
243 . 1 1 76 76 ASP C C 13 175.614 . . 1 . 493 . . . . . . . . . . . . 1 1
244 . 1 1 77 77 GLY C C 13 172.299 . . 1 . 494 . . . . . . . . . . . . 1 1
245 . 1 1 78 78 THR C C 13 175.224 . . 1 . 495 . . . . . . . . . . . . 1 1
246 . 1 1 79 79 TYR C C 13 175.705 . . 1 . 496 . . . . . . . . . . . . 1 1
247 . 1 1 80 80 GLY C C 13 172.782 . . 1 . 497 . . . . . . . . . . . . 1 1
248 . 1 1 81 81 VAL C C 13 175.273 . . 1 . 498 . . . . . . . . . . . . 1 1
249 . 1 1 82 82 VAL C C 13 174.812 . . 1 . 499 . . . . . . . . . . . . 1 1
250 . 1 1 83 83 TYR C C 13 170.845 . . 1 . 500 . . . . . . . . . . . . 1 1
251 . 1 1 84 84 ASP C C 13 173.645 . . 1 . 501 . . . . . . . . . . . . 1 1
252 . 1 1 86 86 PRO C C 13 176.640 . . 1 . 502 . . . . . . . . . . . . 1 1
253 . 1 1 87 87 VAL C C 13 175.205 . . 1 . 503 . . . . . . . . . . . . 1 1
254 . 1 1 88 88 GLU C C 13 174.018 . . 1 . 504 . . . . . . . . . . . . 1 1
255 . 1 1 89 89 GLY C C 13 171.840 . . 1 . 505 . . . . . . . . . . . . 1 1
256 . 1 1 90 90 ASN C C 13 174.470 . . 1 . 506 . . . . . . . . . . . . 1 1
257 . 1 1 91 91 TYR C C 13 173.433 . . 1 . 507 . . . . . . . . . . . . 1 1
258 . 1 1 92 92 ASN C C 13 173.300 . . 1 . 508 . . . . . . . . . . . . 1 1
259 . 1 1 97 97 LEU C C 13 176.080 . . 1 . 509 . . . . . . . . . . . . 1 1
260 . 1 1 93 93 VAL C C 13 172.941 . . 1 . 510 . . . . . . . . . . . . 1 1
261 . 1 1 94 94 ASN C C 13 174.926 . . 1 . 511 . . . . . . . . . . . . 1 1
262 . 1 1 95 95 VAL C C 13 174.500 . . 1 . 512 . . . . . . . . . . . . 1 1
263 . 1 1 96 96 THR C C 13 172.986 . . 1 . 513 . . . . . . . . . . . . 1 1
264 . 1 1 98 98 ARG C C 13 175.943 . . 1 . 514 . . . . . . . . . . . . 1 1
265 . 1 1 99 99 GLY C C 13 173.555 . . 1 . 515 . . . . . . . . . . . . 1 1
266 . 1 1 101 101 PRO C C 13 177.118 . . 1 . 516 . . . . . . . . . . . . 1 1
267 . 1 1 102 102 ILE C C 13 174.054 . . 1 . 517 . . . . . . . . . . . . 1 1
268 . 1 1 103 103 LYS C C 13 177.096 . . 1 . 518 . . . . . . . . . . . . 1 1
269 . 1 1 104 104 ASN C C 13 173.536 . . 1 . 519 . . . . . . . . . . . . 1 1
270 . 1 1 106 106 PRO C C 13 175.269 . . 1 . 520 . . . . . . . . . . . . 1 1
271 . 1 1 107 107 ILE C C 13 172.987 . . 1 . 521 . . . . . . . . . . . . 1 1
272 . 1 1 108 108 ASP C C 13 175.510 . . 1 . 522 . . . . . . . . . . . . 1 1
273 . 1 1 109 109 VAL C C 13 173.479 . . 1 . 523 . . . . . . . . . . . . 1 1
274 . 1 1 110 110 LYS C C 13 174.833 . . 1 . 524 . . . . . . . . . . . . 1 1
275 . 1 1 112 112 ILE C C 13 174.422 . . 1 . 525 . . . . . . . . . . . . 1 1
276 . 1 1 73 73 ASP N N 15 126.836 0.02 . 1 . 526 . . . . . . . . . . . . 1 1
277 . 1 1 72 72 THR C C 13 172.861 . . 1 . 527 . . . . . . . . . . . . 1 1
278 . 1 1 11 11 PRO CA C 13 63.616 . . 1 . 528 . . . . . . . . . . . . 1 1
279 . 1 1 11 11 PRO CB C 13 33.168 . . 1 . 529 . . . . . . . . . . . . 1 1
280 . 1 1 11 11 PRO HA H 1 4.298 . . 1 . 530 . . . . . . . . . . . . 1 1
281 . 1 1 13 13 PRO CA C 13 62.421 . . 1 . 531 . . . . . . . . . . . . 1 1
282 . 1 1 13 13 PRO CB C 13 31.694 . . 1 . 532 . . . . . . . . . . . . 1 1
283 . 1 1 13 13 PRO HA H 1 4.258 . . 1 . 533 . . . . . . . . . . . . 1 1
284 . 1 1 15 15 ALA CA C 13 55.312 . . 1 . 534 . . . . . . . . . . . . 1 1
285 . 1 1 15 15 ALA CB C 13 17.967 . . 1 . 535 . . . . . . . . . . . . 1 1
286 . 1 1 15 15 ALA HA H 1 4.133 . . 1 . 536 . . . . . . . . . . . . 1 1
287 . 1 1 16 16 GLU CA C 13 58.689 . . 1 . 537 . . . . . . . . . . . . 1 1
288 . 1 1 16 16 GLU HA H 1 3.967 . . 1 . 538 . . . . . . . . . . . . 1 1
289 . 1 1 16 16 GLU CB C 13 29.465 . . 1 . 539 . . . . . . . . . . . . 1 1
290 . 1 1 17 17 HIS CA C 13 56.732 . . 1 . 540 . . . . . . . . . . . . 1 1
291 . 1 1 17 17 HIS CB C 13 33.905 . . 1 . 541 . . . . . . . . . . . . 1 1
292 . 1 1 17 17 HIS HA H 1 4.814 . . 1 . 542 . . . . . . . . . . . . 1 1
293 . 1 1 18 18 SER CB C 13 64.539 . . 1 . 543 . . . . . . . . . . . . 1 1
294 . 1 1 18 18 SER CA C 13 61.884 . . 1 . 544 . . . . . . . . . . . . 1 1
295 . 1 1 18 18 SER HA H 1 4.941 . . 1 . 545 . . . . . . . . . . . . 1 1
296 . 1 1 19 19 TYR CA C 13 56.299 . . 1 . 547 . . . . . . . . . . . . 1 1
297 . 1 1 19 19 TYR CB C 13 40.809 . . 1 . 548 . . . . . . . . . . . . 1 1
298 . 1 1 19 19 TYR HA H 1 5.006 . . 1 . 549 . . . . . . . . . . . . 1 1
299 . 1 1 20 20 ALA CA C 13 50.348 . . 1 . 551 . . . . . . . . . . . . 1 1
300 . 1 1 20 20 ALA CB C 13 23.793 . . 1 . 552 . . . . . . . . . . . . 1 1
301 . 1 1 20 20 ALA HA H 1 5.791 . . 1 . 553 . . . . . . . . . . . . 1 1
302 . 1 1 21 21 GLU CA C 13 55.974 . . 1 . 554 . . . . . . . . . . . . 1 1
303 . 1 1 21 21 GLU CB C 13 35.564 . . 1 . 555 . . . . . . . . . . . . 1 1
304 . 1 1 21 21 GLU HA H 1 4.841 . . 1 . 556 . . . . . . . . . . . . 1 1
305 . 1 1 23 23 GLU CA C 13 59.856 . . 1 . 557 . . . . . . . . . . . . 1 1
306 . 1 1 23 23 GLU CB C 13 29.293 . . 1 . 558 . . . . . . . . . . . . 1 1
307 . 1 1 23 23 GLU HA H 1 4.182 . . 1 . 559 . . . . . . . . . . . . 1 1
308 . 1 1 24 24 GLY CA C 13 46.277 . . 1 . 560 . . . . . . . . . . . . 1 1
309 . 1 1 24 24 GLY HA2 H 1 4.193 . . 2 . 561 . . . . . . . . . . . . 1 1
310 . 1 1 24 24 GLY HA3 H 1 3.390 . . 2 . 562 . . . . . . . . . . . . 1 1
311 . 1 1 25 25 LEU CA C 13 53.758 . . 1 . 563 . . . . . . . . . . . . 1 1
312 . 1 1 25 25 LEU CB C 13 41.680 . . 1 . 564 . . . . . . . . . . . . 1 1
313 . 1 1 25 25 LEU HA H 1 4.465 . . 1 . 565 . . . . . . . . . . . . 1 1
314 . 1 1 26 26 VAL CA C 13 64.830 . . 1 . 566 . . . . . . . . . . . . 1 1
315 . 1 1 26 26 VAL CB C 13 34.948 . . 1 . 567 . . . . . . . . . . . . 1 1
316 . 1 1 26 26 VAL HA H 1 4.125 . . 1 . 568 . . . . . . . . . . . . 1 1
317 . 1 1 27 27 LYS CA C 13 57.278 . . 1 . 569 . . . . . . . . . . . . 1 1
318 . 1 1 27 27 LYS CB C 13 33.618 . . 1 . 570 . . . . . . . . . . . . 1 1
319 . 1 1 27 27 LYS HA H 1 4.509 . . 1 . 571 . . . . . . . . . . . . 1 1
320 . 1 1 28 28 VAL CA C 13 59.494 . . 1 . 572 . . . . . . . . . . . . 1 1
321 . 1 1 28 28 VAL CB C 13 34.987 . . 1 . 573 . . . . . . . . . . . . 1 1
322 . 1 1 28 28 VAL HA H 1 4.344 . . 1 . 574 . . . . . . . . . . . . 1 1
323 . 1 1 29 29 PHE CA C 13 55.873 . . 1 . 575 . . . . . . . . . . . . 1 1
324 . 1 1 29 29 PHE CB C 13 43.589 . . 1 . 576 . . . . . . . . . . . . 1 1
325 . 1 1 29 29 PHE HA H 1 5.808 . . 1 . 577 . . . . . . . . . . . . 1 1
326 . 1 1 30 30 ASP CB C 13 39.978 . . 1 . 578 . . . . . . . . . . . . 1 1
327 . 1 1 30 30 ASP HA H 1 4.785 . . 1 . 579 . . . . . . . . . . . . 1 1
328 . 1 1 75 75 ASN CB C 13 37.040 . . 1 . 580 . . . . . . . . . . . . 1 1
329 . 1 1 75 75 ASN HA H 1 4.057 . . 1 . 581 . . . . . . . . . . . . 1 1
330 . 1 1 75 75 ASN CA C 13 54.705 . . 1 . 582 . . . . . . . . . . . . 1 1
331 . 1 1 31 31 ASN CA C 13 51.413 . . 1 . 583 . . . . . . . . . . . . 1 1
332 . 1 1 31 31 ASN CB C 13 38.156 . . 1 . 584 . . . . . . . . . . . . 1 1
333 . 1 1 31 31 ASN HA H 1 4.785 . . 1 . 585 . . . . . . . . . . . . 1 1
334 . 1 1 33 33 PRO CA C 13 63.483 . . 1 . 586 . . . . . . . . . . . . 1 1
335 . 1 1 33 33 PRO CB C 13 32.200 . . 1 . 587 . . . . . . . . . . . . 1 1
336 . 1 1 33 33 PRO HA H 1 4.313 . . 1 . 588 . . . . . . . . . . . . 1 1
337 . 1 1 34 34 ALA CA C 13 50.518 . . 1 . 589 . . . . . . . . . . . . 1 1
338 . 1 1 34 34 ALA CB C 13 20.767 . . 1 . 590 . . . . . . . . . . . . 1 1
339 . 1 1 34 34 ALA HA H 1 4.548 . . 1 . 591 . . . . . . . . . . . . 1 1
340 . 1 1 35 35 GLU CA C 13 54.516 . . 1 . 592 . . . . . . . . . . . . 1 1
341 . 1 1 35 35 GLU CB C 13 34.191 . . 1 . 593 . . . . . . . . . . . . 1 1
342 . 1 1 35 35 GLU HA H 1 5.725 . . 1 . 594 . . . . . . . . . . . . 1 1
343 . 1 1 36 36 PHE CA C 13 57.511 . . 1 . 595 . . . . . . . . . . . . 1 1
344 . 1 1 36 36 PHE CB C 13 40.211 . . 1 . 596 . . . . . . . . . . . . 1 1
345 . 1 1 36 36 PHE HA H 1 5.134 . . 1 . 597 . . . . . . . . . . . . 1 1
346 . 1 1 37 37 THR CB C 13 71.897 . . 1 . 598 . . . . . . . . . . . . 1 1
347 . 1 1 37 37 THR HA H 1 5.224 . . 1 . 599 . . . . . . . . . . . . 1 1
348 . 1 1 38 38 ILE CB C 13 39.781 . . 1 . 600 . . . . . . . . . . . . 1 1
349 . 1 1 38 38 ILE HA H 1 4.115 . . 1 . 601 . . . . . . . . . . . . 1 1
350 . 1 1 39 39 PHE CA C 13 57.556 . . 1 . 602 . . . . . . . . . . . . 1 1
351 . 1 1 39 39 PHE CB C 13 38.371 . . 1 . 603 . . . . . . . . . . . . 1 1
352 . 1 1 39 39 PHE HA H 1 4.241 . . 1 . 604 . . . . . . . . . . . . 1 1
353 . 1 1 40 40 ALA CA C 13 51.929 . . 1 . 605 . . . . . . . . . . . . 1 1
354 . 1 1 40 40 ALA CB C 13 21.233 . . 1 . 606 . . . . . . . . . . . . 1 1
355 . 1 1 40 40 ALA HA H 1 4.611 . . 1 . 607 . . . . . . . . . . . . 1 1
356 . 1 1 41 41 VAL CA C 13 61.701 . . 1 . 608 . . . . . . . . . . . . 1 1
357 . 1 1 41 41 VAL CB C 13 35.296 . . 1 . 609 . . . . . . . . . . . . 1 1
358 . 1 1 41 41 VAL HA H 1 4.361 . . 1 . 610 . . . . . . . . . . . . 1 1
359 . 1 1 42 42 ASP CA C 13 53.848 . . 1 . 611 . . . . . . . . . . . . 1 1
360 . 1 1 42 42 ASP CB C 13 42.938 . . 1 . 612 . . . . . . . . . . . . 1 1
361 . 1 1 42 42 ASP HA H 1 5.187 . . 1 . 613 . . . . . . . . . . . . 1 1
362 . 1 1 43 43 THR CB C 13 69.012 . . 1 . 614 . . . . . . . . . . . . 1 1
363 . 1 1 43 43 THR CA C 13 64.119 . . 1 . 615 . . . . . . . . . . . . 1 1
364 . 1 1 43 43 THR HA H 1 4.083 . . 1 . 616 . . . . . . . . . . . . 1 1
365 . 1 1 44 44 LYS CA C 13 54.981 . . 1 . 617 . . . . . . . . . . . . 1 1
366 . 1 1 44 44 LYS CB C 13 31.898 . . 1 . 618 . . . . . . . . . . . . 1 1
367 . 1 1 44 44 LYS HA H 1 4.485 . . 1 . 619 . . . . . . . . . . . . 1 1
368 . 1 1 45 45 GLY CA C 13 45.282 . . 1 . 620 . . . . . . . . . . . . 1 1
369 . 1 1 45 45 GLY HA2 H 1 3.848 . . 2 . 621 . . . . . . . . . . . . 1 1
370 . 1 1 45 45 GLY HA3 H 1 3.004 . . 2 . 622 . . . . . . . . . . . . 1 1
371 . 1 1 46 46 VAL CA C 13 61.876 . . 1 . 623 . . . . . . . . . . . . 1 1
372 . 1 1 46 46 VAL CB C 13 31.923 . . 1 . 624 . . . . . . . . . . . . 1 1
373 . 1 1 46 46 VAL HA H 1 4.015 . . 1 . 625 . . . . . . . . . . . . 1 1
374 . 1 1 47 47 ALA CA C 13 54.236 . . 1 . 626 . . . . . . . . . . . . 1 1
375 . 1 1 47 47 ALA CB C 13 18.165 . . 1 . 627 . . . . . . . . . . . . 1 1
376 . 1 1 47 47 ALA HA H 1 4.323 . . 1 . 628 . . . . . . . . . . . . 1 1
377 . 1 1 48 48 ARG HA H 1 4.428 . . 1 . 629 . . . . . . . . . . . . 1 1
378 . 1 1 48 48 ARG CA C 13 55.415 . . 1 . 630 . . . . . . . . . . . . 1 1
379 . 1 1 48 48 ARG CB C 13 29.141 . . 1 . 631 . . . . . . . . . . . . 1 1
380 . 1 1 49 49 THR CB C 13 69.375 . . 1 . 632 . . . . . . . . . . . . 1 1
381 . 1 1 49 49 THR CA C 13 61.574 . . 1 . 633 . . . . . . . . . . . . 1 1
382 . 1 1 49 49 THR HA H 1 4.361 . . 1 . 634 . . . . . . . . . . . . 1 1
383 . 1 1 50 50 ASP CA C 13 52.396 . . 1 . 635 . . . . . . . . . . . . 1 1
384 . 1 1 50 50 ASP CB C 13 41.384 . . 1 . 636 . . . . . . . . . . . . 1 1
385 . 1 1 50 50 ASP HA H 1 4.266 . . 1 . 637 . . . . . . . . . . . . 1 1
386 . 1 1 51 51 GLY CA C 13 45.047 . . 1 . 638 . . . . . . . . . . . . 1 1
387 . 1 1 51 51 GLY HA2 H 1 4.694 . . 2 . 639 . . . . . . . . . . . . 1 1
388 . 1 1 51 51 GLY HA3 H 1 4.422 . . 2 . 640 . . . . . . . . . . . . 1 1
389 . 1 1 52 52 GLY CA C 13 45.194 . . 1 . 641 . . . . . . . . . . . . 1 1
390 . 1 1 52 52 GLY HA2 H 1 4.139 . . 2 . 642 . . . . . . . . . . . . 1 1
391 . 1 1 52 52 GLY HA3 H 1 3.686 . . 2 . 643 . . . . . . . . . . . . 1 1
392 . 1 1 54 54 PRO CA C 13 62.758 . . 1 . 644 . . . . . . . . . . . . 1 1
393 . 1 1 54 54 PRO CB C 13 27.862 . . 1 . 645 . . . . . . . . . . . . 1 1
394 . 1 1 54 54 PRO HA H 1 4.683 . . 1 . 646 . . . . . . . . . . . . 1 1
395 . 1 1 55 55 PHE CA C 13 59.809 . . 1 . 647 . . . . . . . . . . . . 1 1
396 . 1 1 55 55 PHE CB C 13 40.480 . . 1 . 648 . . . . . . . . . . . . 1 1
397 . 1 1 55 55 PHE HA H 1 4.707 . . 1 . 649 . . . . . . . . . . . . 1 1
398 . 1 1 56 56 GLU CA C 13 54.971 . . 1 . 650 . . . . . . . . . . . . 1 1
399 . 1 1 56 56 GLU CB C 13 33.128 . . 1 . 651 . . . . . . . . . . . . 1 1
400 . 1 1 56 56 GLU HA H 1 4.608 . . 1 . 652 . . . . . . . . . . . . 1 1
401 . 1 1 57 57 VAL CA C 13 61.471 . . 1 . 653 . . . . . . . . . . . . 1 1
402 . 1 1 57 57 VAL CB C 13 34.095 . . 1 . 654 . . . . . . . . . . . . 1 1
403 . 1 1 57 57 VAL HA H 1 4.638 . . 1 . 655 . . . . . . . . . . . . 1 1
404 . 1 1 58 58 ALA CA C 13 50.707 . . 1 . 656 . . . . . . . . . . . . 1 1
405 . 1 1 58 58 ALA CB C 13 21.434 . . 1 . 657 . . . . . . . . . . . . 1 1
406 . 1 1 58 58 ALA HA H 1 4.913 . . 1 . 658 . . . . . . . . . . . . 1 1
407 . 1 1 59 59 ILE HA H 1 5.196 . . 1 . 659 . . . . . . . . . . . . 1 1
408 . 1 1 111 111 CYS HA H 1 5.072 . . 1 . 660 . . . . . . . . . . . . 1 1
409 . 1 1 59 59 ILE CA C 13 60.370 . . 1 . 661 . . . . . . . . . . . . 1 1
410 . 1 1 59 59 ILE CB C 13 40.462 . . 1 . 662 . . . . . . . . . . . . 1 1
411 . 1 1 111 111 CYS CA C 13 54.651 . . 1 . 663 . . . . . . . . . . . . 1 1
412 . 1 1 111 111 CYS CB C 13 29.407 . . 1 . 664 . . . . . . . . . . . . 1 1
413 . 1 1 60 60 ASN HA H 1 5.448 . . 1 . 665 . . . . . . . . . . . . 1 1
414 . 1 1 63 63 ASP CB C 13 39.921 . . 1 . 666 . . . . . . . . . . . . 1 1
415 . 1 1 63 63 ASP HA H 1 4.286 . . 1 . 667 . . . . . . . . . . . . 1 1
416 . 1 1 63 63 ASP CA C 13 54.811 . . 1 . 668 . . . . . . . . . . . . 1 1
417 . 1 1 64 64 GLY CA C 13 45.589 . . 1 . 669 . . . . . . . . . . . . 1 1
418 . 1 1 64 64 GLY HA2 H 1 4.037 . . 2 . 670 . . . . . . . . . . . . 1 1
419 . 1 1 64 64 GLY HA3 H 1 3.654 . . 2 . 671 . . . . . . . . . . . . 1 1
420 . 1 1 66 66 VAL CA C 13 63.149 . . 1 . 672 . . . . . . . . . . . . 1 1
421 . 1 1 66 66 VAL CB C 13 32.523 . . 1 . 673 . . . . . . . . . . . . 1 1
422 . 1 1 66 66 VAL HA H 1 4.340 . . 1 . 674 . . . . . . . . . . . . 1 1
423 . 1 1 67 67 VAL CA C 13 61.379 . . 1 . 675 . . . . . . . . . . . . 1 1
424 . 1 1 67 67 VAL CB C 13 33.689 . . 1 . 676 . . . . . . . . . . . . 1 1
425 . 1 1 67 67 VAL HA H 1 4.209 . . 1 . 677 . . . . . . . . . . . . 1 1
426 . 1 1 68 68 ASP CA C 13 53.501 . . 1 . 678 . . . . . . . . . . . . 1 1
427 . 1 1 68 68 ASP CB C 13 41.195 . . 1 . 679 . . . . . . . . . . . . 1 1
428 . 1 1 68 68 ASP HA H 1 4.848 . . 1 . 680 . . . . . . . . . . . . 1 1
429 . 1 1 69 69 ALA CA C 13 51.096 . . 1 . 681 . . . . . . . . . . . . 1 1
430 . 1 1 69 69 ALA CB C 13 20.227 . . 1 . 682 . . . . . . . . . . . . 1 1
431 . 1 1 69 69 ALA HA H 1 4.625 . . 1 . 683 . . . . . . . . . . . . 1 1
432 . 1 1 70 70 LYS CA C 13 55.641 . . 1 . 684 . . . . . . . . . . . . 1 1
433 . 1 1 70 70 LYS CB C 13 33.127 . . 1 . 685 . . . . . . . . . . . . 1 1
434 . 1 1 70 70 LYS HA H 1 4.603 . . 1 . 686 . . . . . . . . . . . . 1 1
435 . 1 1 71 71 VAL CA C 13 61.486 . . 1 . 687 . . . . . . . . . . . . 1 1
436 . 1 1 71 71 VAL CB C 13 33.261 . . 1 . 688 . . . . . . . . . . . . 1 1
437 . 1 1 71 71 VAL HA H 1 4.865 . . 1 . 690 . . . . . . . . . . . . 1 1
438 . 1 1 72 72 THR CB C 13 70.735 . . 1 . 691 . . . . . . . . . . . . 1 1
439 . 1 1 72 72 THR CA C 13 61.804 . . 1 . 692 . . . . . . . . . . . . 1 1
440 . 1 1 72 72 THR HA H 1 4.435 . . 1 . 693 . . . . . . . . . . . . 1 1
441 . 1 1 73 73 ASP CA C 13 53.441 . . 1 . 694 . . . . . . . . . . . . 1 1
442 . 1 1 73 73 ASP CB C 13 40.958 . . 1 . 695 . . . . . . . . . . . . 1 1
443 . 1 1 73 73 ASP HA H 1 4.276 . . 1 . 696 . . . . . . . . . . . . 1 1
444 . 1 1 74 74 ASN CA C 13 54.150 . . 1 . 697 . . . . . . . . . . . . 1 1
445 . 1 1 74 74 ASN CB C 13 37.515 . . 1 . 698 . . . . . . . . . . . . 1 1
446 . 1 1 74 74 ASN HA H 1 4.529 . . 1 . 699 . . . . . . . . . . . . 1 1
447 . 1 1 76 76 ASP CA C 13 52.828 . . 1 . 700 . . . . . . . . . . . . 1 1
448 . 1 1 76 76 ASP HA H 1 4.620 . . 1 . 701 . . . . . . . . . . . . 1 1
449 . 1 1 76 76 ASP CB C 13 41.175 . . 1 . 703 . . . . . . . . . . . . 1 1
450 . 1 1 77 77 GLY CA C 13 45.223 . . 1 . 704 . . . . . . . . . . . . 1 1
451 . 1 1 77 77 GLY HA2 H 1 4.446 . . 2 . 705 . . . . . . . . . . . . 1 1
452 . 1 1 77 77 GLY HA3 H 1 3.569 . . 2 . 706 . . . . . . . . . . . . 1 1
453 . 1 1 78 78 THR CB C 13 72.894 . . 1 . 707 . . . . . . . . . . . . 1 1
454 . 1 1 78 78 THR CA C 13 59.422 . . 1 . 708 . . . . . . . . . . . . 1 1
455 . 1 1 78 78 THR HA H 1 5.586 . . 1 . 709 . . . . . . . . . . . . 1 1
456 . 1 1 79 79 TYR CA C 13 56.253 . . 1 . 710 . . . . . . . . . . . . 1 1
457 . 1 1 79 79 TYR CB C 13 40.254 . . 1 . 711 . . . . . . . . . . . . 1 1
458 . 1 1 79 79 TYR HA H 1 5.049 . . 1 . 712 . . . . . . . . . . . . 1 1
459 . 1 1 80 80 GLY CA C 13 45.623 . . 1 . 713 . . . . . . . . . . . . 1 1
460 . 1 1 80 80 GLY HA2 H 1 4.399 . . 2 . 714 . . . . . . . . . . . . 1 1
461 . 1 1 80 80 GLY HA3 H 1 3.759 . . 2 . 715 . . . . . . . . . . . . 1 1
462 . 1 1 81 81 VAL CB C 13 32.910 . . 1 . 716 . . . . . . . . . . . . 1 1
463 . 1 1 81 81 VAL CA C 13 60.949 . . 1 . 717 . . . . . . . . . . . . 1 1
464 . 1 1 81 81 VAL HA H 1 4.875 . . 1 . 718 . . . . . . . . . . . . 1 1
465 . 1 1 109 109 VAL HA H 1 4.106 . . 1 . 719 . . . . . . . . . . . . 1 1
466 . 1 1 109 109 VAL CA C 13 61.159 . . 1 . 720 . . . . . . . . . . . . 1 1
467 . 1 1 109 109 VAL CB C 13 35.054 . . 1 . 721 . . . . . . . . . . . . 1 1
468 . 1 1 82 82 VAL CA C 13 60.123 . . 1 . 722 . . . . . . . . . . . . 1 1
469 . 1 1 82 82 VAL CB C 13 35.539 . . 1 . 723 . . . . . . . . . . . . 1 1
470 . 1 1 82 82 VAL HA H 1 5.352 . . 1 . 724 . . . . . . . . . . . . 1 1
471 . 1 1 83 83 TYR CA C 13 56.102 . . 1 . 725 . . . . . . . . . . . . 1 1
472 . 1 1 83 83 TYR CB C 13 41.293 . . 1 . 726 . . . . . . . . . . . . 1 1
473 . 1 1 83 83 TYR HA H 1 5.049 . . 1 . 727 . . . . . . . . . . . . 1 1
474 . 1 1 84 84 ASP CA C 13 53.507 . . 1 . 728 . . . . . . . . . . . . 1 1
475 . 1 1 84 84 ASP CB C 13 43.197 . . 1 . 729 . . . . . . . . . . . . 1 1
476 . 1 1 84 84 ASP HA H 1 4.694 . . 1 . 730 . . . . . . . . . . . . 1 1
477 . 1 1 86 86 PRO CA C 13 64.283 . . 1 . 731 . . . . . . . . . . . . 1 1
478 . 1 1 86 86 PRO HA H 1 4.560 . . 1 . 732 . . . . . . . . . . . . 1 1
479 . 1 1 86 86 PRO CB C 13 32.563 . . 1 . 733 . . . . . . . . . . . . 1 1
480 . 1 1 87 87 VAL CA C 13 59.446 . . 1 . 734 . . . . . . . . . . . . 1 1
481 . 1 1 87 87 VAL CB C 13 35.647 . . 1 . 735 . . . . . . . . . . . . 1 1
482 . 1 1 87 87 VAL HA H 1 4.648 . . 1 . 736 . . . . . . . . . . . . 1 1
483 . 1 1 88 88 GLU CA C 13 57.475 . . 1 . 737 . . . . . . . . . . . . 1 1
484 . 1 1 88 88 GLU CB C 13 30.122 . . 1 . 738 . . . . . . . . . . . . 1 1
485 . 1 1 88 88 GLU HA H 1 4.160 . . 1 . 739 . . . . . . . . . . . . 1 1
486 . 1 1 89 89 GLY CA C 13 43.721 . . 1 . 740 . . . . . . . . . . . . 1 1
487 . 1 1 89 89 GLY HA2 H 1 4.556 . . 2 . 741 . . . . . . . . . . . . 1 1
488 . 1 1 89 89 GLY HA3 H 1 3.776 . . 2 . 742 . . . . . . . . . . . . 1 1
489 . 1 1 90 90 ASN CA C 13 54.439 . . 1 . 743 . . . . . . . . . . . . 1 1
490 . 1 1 90 90 ASN CB C 13 41.117 . . 1 . 744 . . . . . . . . . . . . 1 1
491 . 1 1 90 90 ASN HA H 1 5.026 . . 1 . 745 . . . . . . . . . . . . 1 1
492 . 1 1 91 91 TYR CA C 13 57.141 . . 1 . 746 . . . . . . . . . . . . 1 1
493 . 1 1 91 91 TYR CB C 13 39.268 . . 1 . 747 . . . . . . . . . . . . 1 1
494 . 1 1 91 91 TYR HA H 1 4.705 . . 1 . 748 . . . . . . . . . . . . 1 1
495 . 1 1 92 92 ASN HA H 1 5.341 . . 1 . 749 . . . . . . . . . . . . 1 1
496 . 1 1 97 97 LEU HA H 1 4.354 . . 1 . 750 . . . . . . . . . . . . 1 1
497 . 1 1 92 92 ASN CB C 13 42.148 . . 1 . 751 . . . . . . . . . . . . 1 1
498 . 1 1 97 97 LEU CB C 13 44.366 . . 1 . 752 . . . . . . . . . . . . 1 1
499 . 1 1 92 92 ASN CA C 13 53.427 . . 1 . 753 . . . . . . . . . . . . 1 1
500 . 1 1 97 97 LEU CA C 13 53.566 . . 1 . 754 . . . . . . . . . . . . 1 1
501 . 1 1 93 93 VAL CA C 13 61.859 . . 1 . 755 . . . . . . . . . . . . 1 1
502 . 1 1 93 93 VAL CB C 13 32.992 . . 1 . 756 . . . . . . . . . . . . 1 1
503 . 1 1 93 93 VAL HA H 1 4.211 . . 1 . 757 . . . . . . . . . . . . 1 1
504 . 1 1 94 94 ASN CA C 13 51.730 . . 1 . 758 . . . . . . . . . . . . 1 1
505 . 1 1 94 94 ASN CB C 13 41.539 . . 1 . 759 . . . . . . . . . . . . 1 1
506 . 1 1 94 94 ASN HA H 1 5.259 . . 1 . 760 . . . . . . . . . . . . 1 1
507 . 1 1 95 95 VAL CA C 13 61.020 . . 1 . 761 . . . . . . . . . . . . 1 1
508 . 1 1 95 95 VAL CB C 13 32.823 . . 1 . 762 . . . . . . . . . . . . 1 1
509 . 1 1 95 95 VAL HA H 1 5.104 . . 1 . 763 . . . . . . . . . . . . 1 1
510 . 1 1 96 96 THR HA H 1 5.098 . . 1 . 764 . . . . . . . . . . . . 1 1
511 . 1 1 96 96 THR CA C 13 58.818 . . 1 . 765 . . . . . . . . . . . . 1 1
512 . 1 1 96 96 THR CB C 13 73.289 . . 1 . 766 . . . . . . . . . . . . 1 1
513 . 1 1 98 98 ARG CA C 13 57.045 . . 1 . 767 . . . . . . . . . . . . 1 1
514 . 1 1 98 98 ARG CB C 13 27.990 . . 1 . 768 . . . . . . . . . . . . 1 1
515 . 1 1 98 98 ARG HA H 1 3.852 . . 1 . 769 . . . . . . . . . . . . 1 1
516 . 1 1 99 99 GLY CA C 13 44.944 . . 1 . 770 . . . . . . . . . . . . 1 1
517 . 1 1 99 99 GLY HA2 H 1 4.197 . . 2 . 771 . . . . . . . . . . . . 1 1
518 . 1 1 99 99 GLY HA3 H 1 3.477 . . 2 . 772 . . . . . . . . . . . . 1 1
519 . 1 1 101 101 PRO CA C 13 62.963 . . 1 . 773 . . . . . . . . . . . . 1 1
520 . 1 1 101 101 PRO CB C 13 32.155 . . 1 . 774 . . . . . . . . . . . . 1 1
521 . 1 1 101 101 PRO HA H 1 4.652 . . 1 . 775 . . . . . . . . . . . . 1 1
522 . 1 1 102 102 ILE CA C 13 60.320 . . 1 . 776 . . . . . . . . . . . . 1 1
523 . 1 1 102 102 ILE CB C 13 36.196 . . 1 . 777 . . . . . . . . . . . . 1 1
524 . 1 1 102 102 ILE HA H 1 5.166 . . 1 . 778 . . . . . . . . . . . . 1 1
525 . 1 1 104 104 ASN CA C 13 54.927 . . 1 . 779 . . . . . . . . . . . . 1 1
526 . 1 1 104 104 ASN CB C 13 37.414 . . 1 . 780 . . . . . . . . . . . . 1 1
527 . 1 1 104 104 ASN HA H 1 4.368 . . 1 . 781 . . . . . . . . . . . . 1 1
528 . 1 1 106 106 PRO CA C 13 63.038 . . 1 . 782 . . . . . . . . . . . . 1 1
529 . 1 1 106 106 PRO CB C 13 35.855 . . 1 . 783 . . . . . . . . . . . . 1 1
530 . 1 1 106 106 PRO HA H 1 4.948 . . 1 . 784 . . . . . . . . . . . . 1 1
531 . 1 1 107 107 ILE CA C 13 59.951 . . 1 . 785 . . . . . . . . . . . . 1 1
532 . 1 1 107 107 ILE CB C 13 42.746 . . 1 . 786 . . . . . . . . . . . . 1 1
533 . 1 1 107 107 ILE HA H 1 4.571 . . 1 . 787 . . . . . . . . . . . . 1 1
534 . 1 1 108 108 ASP CA C 13 54.277 . . 1 . 788 . . . . . . . . . . . . 1 1
535 . 1 1 108 108 ASP CB C 13 42.770 . . 1 . 789 . . . . . . . . . . . . 1 1
536 . 1 1 108 108 ASP HA H 1 5.556 . . 1 . 790 . . . . . . . . . . . . 1 1
537 . 1 1 110 110 LYS CA C 13 55.736 . . 1 . 791 . . . . . . . . . . . . 1 1
538 . 1 1 110 110 LYS CB C 13 33.490 . . 1 . 792 . . . . . . . . . . . . 1 1
539 . 1 1 110 110 LYS HA H 1 4.706 . . 1 . 793 . . . . . . . . . . . . 1 1
540 . 1 1 112 112 ILE CA C 13 59.225 . . 1 . 794 . . . . . . . . . . . . 1 1
541 . 1 1 112 112 ILE CB C 13 41.201 . . 1 . 795 . . . . . . . . . . . . 1 1
542 . 1 1 112 112 ILE HA H 1 4.801 . . 1 . 796 . . . . . . . . . . . . 1 1
543 . 1 1 30 30 ASP CA C 13 54.317 . . 1 . 798 . . . . . . . . . . . . 1 1
544 . 1 1 37 37 THR CA C 13 61.259 . . 1 . 799 . . . . . . . . . . . . 1 1
545 . 1 1 38 38 ILE CA C 13 60.895 . . 1 . 800 . . . . . . . . . . . . 1 1
546 . 1 1 103 103 LYS HA H 1 3.988 . . 1 . 801 . . . . . . . . . . . . 1 1
547 . 1 1 113 113 GLU CA C 13 57.325 . . 1 . 802 . . . . . . . . . . . . 1 1
548 . 1 1 113 113 GLU C C 13 177.111 . . 1 . 803 . . . . . . . . . . . . 1 1
549 . 1 1 113 113 GLU CB C 13 30.244 . . 1 . 804 . . . . . . . . . . . . 1 1
550 . 1 1 113 113 GLU HA H 1 4.138 . . 1 . 805 . . . . . . . . . . . . 1 1
551 . 1 1 9 9 SER N N 15 115.542 0.003 . 1 . 813 . . . . . . . . . . . . 1 1
552 . 1 1 9 9 SER H H 1 8.418 0.002 . 1 . 814 . . . . . . . . . . . . 1 1
553 . 1 1 8 8 ALA CA C 13 52.613 . . 1 . 815 . . . . . . . . . . . . 1 1
554 . 1 1 8 8 ALA CB C 13 19.267 . . 1 . 816 . . . . . . . . . . . . 1 1
555 . 1 1 8 8 ALA C C 13 177.645 . . 1 . 817 . . . . . . . . . . . . 1 1
556 . 1 1 8 8 ALA HA H 1 4.310 . . 1 . 818 . . . . . . . . . . . . 1 1
stop_
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save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID 1
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_label $cs_md
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID 1
_Constraint_stat_list.ID 1
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