data_5365
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 15N, 13C resonance assignments for the DNA-binding domain of myocyte
nuclear factor
;
_BMRB_accession_number 5365
_BMRB_flat_file_name bmr5365.str
_Entry_type original
_Submission_date 2002-05-08
_Accession_date 2002-05-08
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Chuang Woei-Jer . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 589
"13C chemical shifts" 184
"15N chemical shifts" 89
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2003-01-13 update author 'update citation'
2002-11-04 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letters to the Editor: 1H, 15N, 13C resonance assignments for the DNA-binding domain of
myocyte nuclear factor (Foxk1)
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Chuang Woei-Jer . .
2 Yeh I-Ju . .
3 Hsieh Yu-Huei . .
4 Liu Pei-Phen . .
5 Chen Shu-Wan . .
6 Jeng W.-Y. . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 24
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 75
_Page_last 76
_Year 2002
_Details .
loop_
_Keyword
'DNA-binding domain'
'myocyte nuclear factor'
'resonance assignment'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_mnf
_Saveframe_category molecular_system
_Mol_system_name 'myocyte nuclear factor'
_Abbreviation_common mnf
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'myocyte nuclear factor' $mnf
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
loop_
_Biological_function
'transcriptional factor'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_mnf
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'myocyte nuclear factor'
_Abbreviation_common mnf
_Molecular_mass 13012
_Mol_thiol_state 'not present'
_Details 'Recombinant protein contained 13 extra residues ASMTGGQQMGRGS at the N-terminus.'
##############################
# Polymer residue sequence #
##############################
_Residue_count 114
_Mol_residue_sequence
;
ASMTGGQQMGRGSESKPPYS
YAQLIVQAISSAQDRQLTLS
GIYAHITKHYPYYRTADKGW
QNSIRHNLSLNRYFIKVPRS
QEEPGKGSFWRIDPASEAKL
VEQAFRKRRQRGVS
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -12 ALA 2 -11 SER 3 -10 MET 4 -9 THR 5 -8 GLY
6 -7 GLY 7 -6 GLN 8 -5 GLN 9 -4 MET 10 -3 GLY
11 -2 ARG 12 -1 GLY 13 0 SER 14 1 GLU 15 2 SER
16 3 LYS 17 4 PRO 18 5 PRO 19 6 TYR 20 7 SER
21 8 TYR 22 9 ALA 23 10 GLN 24 11 LEU 25 12 ILE
26 13 VAL 27 14 GLN 28 15 ALA 29 16 ILE 30 17 SER
31 18 SER 32 19 ALA 33 20 GLN 34 21 ASP 35 22 ARG
36 23 GLN 37 24 LEU 38 25 THR 39 26 LEU 40 27 SER
41 28 GLY 42 29 ILE 43 30 TYR 44 31 ALA 45 32 HIS
46 33 ILE 47 34 THR 48 35 LYS 49 36 HIS 50 37 TYR
51 38 PRO 52 39 TYR 53 40 TYR 54 41 ARG 55 42 THR
56 43 ALA 57 44 ASP 58 45 LYS 59 46 GLY 60 47 TRP
61 48 GLN 62 49 ASN 63 50 SER 64 51 ILE 65 52 ARG
66 53 HIS 67 54 ASN 68 55 LEU 69 56 SER 70 57 LEU
71 58 ASN 72 59 ARG 73 60 TYR 74 61 PHE 75 62 ILE
76 63 LYS 77 64 VAL 78 65 PRO 79 66 ARG 80 67 SER
81 68 GLN 82 69 GLU 83 70 GLU 84 71 PRO 85 72 GLY
86 73 LYS 87 74 GLY 88 75 SER 89 76 PHE 90 77 TRP
91 78 ARG 92 79 ILE 93 80 ASP 94 81 PRO 95 82 ALA
96 83 SER 97 84 GLU 98 85 ALA 99 86 LYS 100 87 LEU
101 88 VAL 102 89 GLU 103 90 GLN 104 91 ALA 105 92 PHE
106 93 ARG 107 94 LYS 108 95 ARG 109 96 ARG 110 97 GLN
111 98 ARG 112 99 GLY 113 100 VAL 114 101 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2A3S "Solution Structure And Dynamics Of Dna-Binding Domain Of Myocyte Nuclear Factor" 88.60 101 100.00 100.00 2.97e-67
PDB 2D2W "Solution Structure And Dynamics Of The Dna-Binding Domain Of Myocyte Nuclear Factor" 88.60 101 100.00 100.00 2.97e-67
DBJ BAE25880 "unnamed protein product [Mus musculus]" 88.60 616 100.00 100.00 2.17e-64
DBJ BAE27871 "unnamed protein product [Mus musculus]" 88.60 719 100.00 100.00 2.36e-64
DBJ BAG53651 "unnamed protein product [Homo sapiens]" 88.60 488 99.01 100.00 1.36e-65
DBJ BAG63595 "unnamed protein product [Homo sapiens]" 88.60 583 98.02 99.01 5.20e-63
GB AAA37529 "myocyte nuclear factor [Mus musculus]" 88.60 617 100.00 100.00 9.51e-64
GB AAB69641 "myocyte nuclear factor-beta [Mus musculus]" 88.60 409 100.00 100.00 6.69e-65
GB AAF97842 "winged helix protein CWH-5, partial [Gallus gallus]" 88.60 108 99.01 99.01 5.28e-66
GB AAH54664 "Forkhead box K1 [Danio rerio]" 88.60 639 98.02 100.00 3.84e-63
GB AAI56274 "Forkhead box K1, partial [synthetic construct]" 88.60 719 100.00 100.00 2.36e-64
REF NP_001032242 "forkhead box protein K1 [Homo sapiens]" 88.60 733 99.01 100.00 6.54e-64
REF NP_001032296 "forkhead box protein K1 [Rattus norvegicus]" 88.60 719 100.00 100.00 2.24e-64
REF NP_951031 "forkhead box protein K1 [Mus musculus]" 88.60 719 100.00 100.00 2.36e-64
REF NP_956196 "forkhead box protein K1 [Danio rerio]" 88.60 639 98.02 100.00 3.84e-63
REF XP_002723111 "PREDICTED: forkhead box protein K1 [Oryctolagus cuniculus]" 88.60 616 100.00 100.00 2.00e-64
SP P42128 "RecName: Full=Forkhead box protein K1; AltName: Full=Myocyte nuclear factor; Short=MNF [Mus musculus]" 88.60 719 100.00 100.00 2.36e-64
SP P85037 "RecName: Full=Forkhead box protein K1; AltName: Full=Myocyte nuclear factor; Short=MNF [Homo sapiens]" 88.60 733 99.01 100.00 6.54e-64
TPG DAA15159 "TPA: hypothetical protein LOC512522 [Bos taurus]" 88.60 1861 100.00 100.00 1.58e-61
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Tissue
_Fraction
_Gene_mnemonic
$mnf 'house mouse' 10090 Eukaryota Metazoa Mus musculus muscle nucleus mnf
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$mnf 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid BL21
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$mnf 3 mM '[U-15N; U-13C]'
'phosphate buffer' 25 mM .
NaCl 100 mM .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$mnf 3 mM [U-15N]
'phosphate buffer' 25 mM .
NaCl 100 mM .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$mnf 1 mM [15N]-Ala
'phosphate buffer' 25 mM .
NaCl 100 mM .
stop_
save_
save_sample_4
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$mnf 3 mM .
'phosphate buffer' 25 mM .
NaCl 100 mM .
stop_
save_
############################
# Computer software used #
############################
save_aurelia
_Saveframe_category software
_Name aurelia
_Version 2.7.5
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1H-15N_NOESY-HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N NOESY-HSQC'
_Sample_label .
save_
save_1H-15N_TOCSY-HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N TOCSY-HSQC'
_Sample_label .
save_
save_HNCA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label .
save_
save_HN(CO)CA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_Sample_label .
save_
save_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_CACB(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CACB(CO)NH
_Sample_label .
save_
save_HNHA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_Sample_label .
save_
save_HBHA(CBCA)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHA(CBCA)NH
_Sample_label .
save_
save_HBHA(CBCACO)NH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHA(CBCACO)NH
_Sample_label .
save_
save_HCC(CO)NH-TOCSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name HCC(CO)NH-TOCSY
_Sample_label .
save_
save_HCCH-NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-NOESY
_Sample_label .
save_
save_HCCH-TOCSY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_HCCH-COSY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-COSY
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N NOESY-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N TOCSY-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CACB(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHA(CBCA)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHA(CBCACO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name HCC(CO)NH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_11
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-NOESY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_12
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_13
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-COSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.0 0.05 n/a
temperature 300 0.1 K
'ionic strength' 1.5 0.02 M
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530
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_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'myocyte nuclear factor'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 14 GLU H H 8.586 0.01 1
2 1 14 GLU HA H 4.358 0.01 1
3 1 14 GLU HB2 H 1.944 0.01 2
4 1 14 GLU HB3 H 2.120 0.01 2
5 1 14 GLU HG2 H 2.276 0.01 1
6 1 14 GLU CA C 54.378 0.1 1
7 1 14 GLU CB C 27.687 0.1 1
8 1 14 GLU N N 121.837 0.1 1
9 2 15 SER H H 8.142 0.01 1
10 2 15 SER HA H 4.377 0.01 1
11 2 15 SER HB2 H 3.728 0.01 1
12 2 15 SER HB3 H 3.728 0.01 1
13 2 15 SER CA C 55.313 0.1 1
14 2 15 SER CB C 62.019 0.1 1
15 2 15 SER N N 115.965 0.1 1
16 3 16 LYS H H 8.045 0.01 1
17 3 16 LYS HA H 2.687 0.01 1
18 3 16 LYS HB2 H 0.880 0.01 2
19 3 16 LYS HB3 H 1.222 0.01 2
20 3 16 LYS HG2 H 0.707 0.01 2
21 3 16 LYS HG3 H 1.061 0.01 2
22 3 16 LYS HD2 H 1.456 0.01 1
23 3 16 LYS HD3 H 1.456 0.01 1
24 3 16 LYS HE2 H 2.957 0.01 1
25 3 16 LYS HE3 H 2.957 0.01 1
26 3 16 LYS CA C 52.080 0.1 1
27 3 16 LYS CB C 30.303 0.1 1
28 3 16 LYS N N 125.824 0.1 1
29 4 17 PRO HG2 H 1.991 0.01 1
30 4 17 PRO HD2 H 2.958 0.01 2
31 4 17 PRO HD3 H 3.574 0.01 2
32 5 18 PRO HA H 4.424 0.01 1
33 5 18 PRO HB2 H 1.629 0.01 2
34 5 18 PRO HB3 H 2.040 0.01 2
35 5 18 PRO HG2 H 1.980 0.01 1
36 5 18 PRO HG3 H 1.980 0.01 1
37 5 18 PRO HD2 H 3.508 0.01 1
38 5 18 PRO CA C 60.561 0.1 1
39 5 18 PRO CB C 26.551 0.1 1
40 6 19 TYR H H 7.150 0.01 1
41 6 19 TYR HA H 5.018 0.01 1
42 6 19 TYR HB2 H 1.907 0.01 2
43 6 19 TYR HB3 H 2.929 0.01 2
44 6 19 TYR HD1 H 6.686 0.01 1
45 6 19 TYR HD2 H 6.686 0.01 1
46 6 19 TYR HE1 H 6.764 0.01 1
47 6 19 TYR HE2 H 6.764 0.01 1
48 6 19 TYR CA C 53.276 0.1 1
49 6 19 TYR CB C 39.953 0.1 1
50 6 19 TYR N N 116.503 0.1 1
51 7 20 SER H H 9.778 0.01 1
52 7 20 SER HA H 4.370 0.01 1
53 7 20 SER HB2 H 3.976 0.01 2
54 7 20 SER HB3 H 4.456 0.01 2
55 7 20 SER CA C 54.140 0.1 1
56 7 20 SER CB C 63.214 0.1 1
57 7 20 SER N N 120.239 0.1 1
58 8 21 TYR H H 8.384 0.01 1
59 8 21 TYR HA H 4.223 0.01 1
60 8 21 TYR HB2 H 2.806 0.01 2
61 8 21 TYR HB3 H 2.870 0.01 2
62 8 21 TYR HD1 H 7.056 0.01 1
63 8 21 TYR HD2 H 7.056 0.01 1
64 8 21 TYR HE1 H 7.202 0.01 1
65 8 21 TYR HE2 H 7.202 0.01 1
66 8 21 TYR CA C 59.889 0.1 1
67 8 21 TYR CB C 35.027 0.1 1
68 8 21 TYR N N 118.215 0.1 1
69 9 22 ALA H H 8.578 0.01 1
70 9 22 ALA HA H 4.132 0.01 1
71 9 22 ALA HB H 1.588 0.01 1
72 9 22 ALA CA C 54.042 0.1 1
73 9 22 ALA CB C 15.438 0.1 1
74 9 22 ALA N N 119.203 0.1 1
75 10 23 GLN H H 7.817 0.01 1
76 10 23 GLN HA H 3.842 0.01 1
77 10 23 GLN HB2 H 2.168 0.01 2
78 10 23 GLN HB3 H 2.476 0.01 2
79 10 23 GLN HG2 H 2.170 0.01 2
80 10 23 GLN HG3 H 2.261 0.01 2
81 10 23 GLN HE21 H 6.653 0.01 2
82 10 23 GLN HE22 H 7.714 0.01 2
83 10 23 GLN CA C 57.504 0.1 1
84 10 23 GLN CB C 27.827 0.1 1
85 10 23 GLN N N 116.166 0.1 1
86 11 24 LEU H H 8.149 0.01 1
87 11 24 LEU HA H 3.453 0.01 1
88 11 24 LEU HB2 H 1.133 0.01 2
89 11 24 LEU HB3 H 2.085 0.01 2
90 11 24 LEU HG H 1.602 0.01 1
91 11 24 LEU HD1 H 0.346 0.01 2
92 11 24 LEU HD2 H 0.582 0.01 2
93 11 24 LEU CA C 55.775 0.1 1
94 11 24 LEU CB C 39.303 0.1 1
95 11 24 LEU N N 118.038 0.1 1
96 12 25 ILE H H 8.046 0.01 1
97 12 25 ILE HA H 3.239 0.01 1
98 12 25 ILE HB H 1.740 0.01 1
99 12 25 ILE HG12 H 0.516 0.01 2
100 12 25 ILE HG13 H 1.161 0.01 2
101 12 25 ILE HG2 H 0.025 0.01 1
102 12 25 ILE HD1 H -0.592 0.01 1
103 12 25 ILE CA C 63.720 0.1 1
104 12 25 ILE CB C 35.283 0.1 1
105 12 25 ILE N N 118.423 0.1 1
106 13 26 VAL H H 8.164 0.01 1
107 13 26 VAL HA H 3.438 0.01 1
108 13 26 VAL HB H 2.143 0.01 1
109 13 26 VAL HG1 H 0.719 0.01 2
110 13 26 VAL HG2 H 1.215 0.01 2
111 13 26 VAL CA C 56.819 0.1 1
112 13 26 VAL CB C 28.800 0.1 1
113 13 26 VAL N N 119.156 0.1 1
114 14 27 GLN H H 8.739 0.01 1
115 14 27 GLN HA H 3.298 0.01 1
116 14 27 GLN HB2 H 1.780 0.01 2
117 14 27 GLN HB3 H 1.909 0.01 2
118 14 27 GLN HG2 H 2.111 0.01 1
119 14 27 GLN HE21 H 3.913 0.01 2
120 14 27 GLN HE22 H 6.817 0.01 2
121 14 27 GLN CA C 56.819 0.1 1
122 14 27 GLN CB C 25.271 0.1 1
123 14 27 GLN N N 120.051 0.1 1
124 15 28 ALA H H 7.497 0.01 1
125 15 28 ALA HA H 2.110 0.01 1
126 15 28 ALA HB H 1.209 0.01 1
127 15 28 ALA CA C 52.353 0.1 1
128 15 28 ALA CB C 17.343 0.1 1
129 15 28 ALA N N 119.736 0.1 1
130 16 29 ILE H H 8.603 0.01 1
131 16 29 ILE HA H 3.182 0.01 1
132 16 29 ILE HB H 1.479 0.01 1
133 16 29 ILE HG12 H 0.571 0.01 2
134 16 29 ILE HG13 H 0.680 0.01 2
135 16 29 ILE HG2 H 0.839 0.01 1
136 16 29 ILE CA C 64.285 0.1 1
137 16 29 ILE N N 117.508 0.1 1
138 17 30 SER H H 8.300 0.01 1
139 17 30 SER HA H 4.071 0.01 1
140 17 30 SER HB2 H 3.770 0.01 2
141 17 30 SER HB3 H 3.931 0.01 2
142 17 30 SER CA C 58.899 0.1 1
143 17 30 SER CB C 61.558 0.1 1
144 17 30 SER N N 109.756 0.1 1
145 18 31 SER H H 7.035 0.01 1
146 18 31 SER HA H 4.519 0.01 1
147 18 31 SER HB2 H 3.918 0.01 2
148 18 31 SER HB3 H 4.033 0.01 2
149 18 31 SER CA C 56.751 0.1 1
150 18 31 SER CB C 61.853 0.1 1
151 18 31 SER N N 114.421 0.1 1
152 19 32 ALA H H 7.405 0.01 1
153 19 32 ALA HA H 4.447 0.01 1
154 19 32 ALA HB H 1.560 0.01 1
155 19 32 ALA CA C 49.571 0.1 1
156 19 32 ALA CB C 17.650 0.1 1
157 19 32 ALA N N 125.510 0.1 1
158 20 33 GLN H H 9.158 0.1 1
159 20 33 GLN HA H 4.026 0.01 1
160 20 33 GLN HB2 H 2.012 0.01 2
161 20 33 GLN HB3 H 2.184 0.01 2
162 20 33 GLN HG2 H 2.112 0.01 2
163 20 33 GLN HG3 H 2.418 0.01 2
164 20 33 GLN HE21 H 6.878 0.01 2
165 20 33 GLN HE22 H 7.643 0.01 2
166 21 34 ASP H H 8.792 0.01 1
167 21 34 ASP HA H 4.558 0.01 1
168 21 34 ASP HB2 H 2.685 0.01 1
169 21 34 ASP HB3 H 2.685 0.01 1
170 21 34 ASP CA C 52.115 0.1 1
171 21 34 ASP CB C 37.411 0.1 1
172 21 34 ASP N N 116.110 0.1 1
173 22 35 ARG H H 8.145 0.01 1
174 22 35 ARG HA H 4.190 0.01 1
175 22 35 ARG HB2 H 1.619 0.01 1
176 22 35 ARG HB3 H 1.619 0.01 1
177 22 35 ARG HG2 H 1.597 0.01 2
178 22 35 ARG HG3 H 1.936 0.01 2
179 22 35 ARG HD2 H 3.181 0.01 1
180 22 35 ARG HD3 H 3.181 0.01 1
181 22 35 ARG HE H 7.515 0.01 1
182 22 35 ARG CA C 54.310 0.1 1
183 22 35 ARG CB C 24.942 0.1 1
184 22 35 ARG N N 113.204 0.1 1
185 23 36 GLN H H 6.899 0.01 1
186 23 36 GLN HA H 5.391 0.01 1
187 23 36 GLN HB2 H 1.501 0.01 2
188 23 36 GLN HB3 H 2.168 0.01 2
189 23 36 GLN HG2 H 1.623 0.01 2
190 23 36 GLN HG3 H 1.990 0.01 2
191 23 36 GLN HE21 H 6.471 0.01 2
192 23 36 GLN HE22 H 6.110 0.01 2
193 23 36 GLN CA C 51.577 0.1 1
194 23 36 GLN CB C 28.589 0.1 1
195 23 36 GLN N N 108.286 0.1 1
196 24 37 LEU H H 8.728 0.01 1
197 24 37 LEU HA H 5.054 0.01 1
198 24 37 LEU HB2 H 1.387 0.01 2
199 24 37 LEU HB3 H 1.875 0.01 2
200 24 37 LEU HG H 1.046 0.01 1
201 24 37 LEU HD1 H 0.707 0.01 1
202 24 37 LEU CA C 51.902 0.1 1
203 24 37 LEU CB C 48.798 0.1 1
204 24 37 LEU N N 120.046 0.1 1
205 25 38 THR H H 8.351 0.01 1
206 25 38 THR HA H 4.939 0.01 1
207 25 38 THR HB H 4.567 0.01 1
208 25 38 THR HG2 H 0.699 0.01 1
209 25 38 THR CA C 57.965 0.1 1
210 25 38 THR CB C 69.182 0.1 1
211 25 38 THR N N 111.738 0.1 1
212 26 39 LEU H H 9.366 0.01 1
213 26 39 LEU HA H 3.607 0.01 1
214 26 39 LEU HB2 H 1.414 0.01 2
215 26 39 LEU HB3 H 1.603 0.01 2
216 26 39 LEU HG H 0.719 0.01 1
217 26 39 LEU HD1 H 0.417 0.01 1
218 26 39 LEU CA C 56.216 0.1 1
219 26 39 LEU CB C 39.248 0.1 1
220 26 39 LEU N N 121.992 0.1 1
221 27 40 SER H H 8.243 0.01 1
222 27 40 SER HA H 4.022 0.01 1
223 27 40 SER HB2 H 3.844 0.01 1
224 27 40 SER HB3 H 3.844 0.01 1
225 27 40 SER CA C 59.761 0.1 1
226 27 40 SER N N 110.527 0.1 1
227 28 41 GLY H H 8.061 0.01 1
228 28 41 GLY HA2 H 3.939 0.01 1
229 28 41 GLY HA3 H 3.939 0.01 1
230 28 41 GLY CA C 44.872 0.1 1
231 28 41 GLY N N 111.798 0.1 1
232 29 42 ILE H H 8.384 0.01 1
233 29 42 ILE HA H 3.535 0.01 1
234 29 42 ILE HB H 1.909 0.01 1
235 29 42 ILE HG12 H 1.383 0.01 2
236 29 42 ILE HG13 H 1.602 0.01 2
237 29 42 ILE HG2 H 0.707 0.01 1
238 29 42 ILE HD1 H 0.499 0.01 1
239 29 42 ILE CA C 64.097 0.1 1
240 29 42 ILE CB C 35.596 0.1 1
241 29 42 ILE N N 126.645 0.1 1
242 30 43 TYR H H 8.263 0.01 1
243 30 43 TYR HA H 4.705 0.01 1
244 30 43 TYR HB2 H 3.274 0.01 2
245 30 43 TYR HB3 H 3.376 0.01 2
246 30 43 TYR HD1 H 6.907 0.01 1
247 30 43 TYR HD2 H 6.907 0.01 1
248 30 43 TYR HE1 H 6.477 0.01 1
249 30 43 TYR HE2 H 6.477 0.01 1
250 30 43 TYR CA C 55.851 0.1 1
251 30 43 TYR CB C 34.567 0.1 1
252 30 43 TYR N N 117.608 0.1 1
253 31 44 ALA H H 8.380 0.01 1
254 31 44 ALA HA H 4.220 0.01 1
255 31 44 ALA HB H 1.598 0.01 1
256 31 44 ALA CA C 52.576 0.1 1
257 31 44 ALA CB C 15.901 0.1 1
258 31 44 ALA N N 119.109 0.1 1
259 32 45 HIS H H 8.099 0.01 1
260 32 45 HIS HA H 4.236 0.01 1
261 32 45 HIS HB2 H 3.257 0.01 1
262 32 45 HIS HB3 H 3.391 0.01 1
263 32 45 HIS HD1 H 6.771 0.01 1
264 32 45 HIS HE1 H 7.423 0.01 1
265 32 45 HIS CA C 58.792 0.1 1
266 32 45 HIS CB C 29.394 0.1 1
267 32 45 HIS N N 117.833 0.1 1
268 33 46 ILE H H 8.398 0.01 1
269 33 46 ILE HA H 3.821 0.01 1
270 33 46 ILE HB H 2.173 0.01 1
271 33 46 ILE HG12 H 1.117 0.01 1
272 33 46 ILE HG2 H 0.871 0.01 1
273 33 46 ILE HD1 H 0.490 0.01 1
274 33 46 ILE CA C 65.002 0.1 1
275 33 46 ILE CB C 36.146 0.1 1
276 33 46 ILE N N 119.321 0.1 1
277 34 47 THR H H 8.689 0.01 1
278 34 47 THR HA H 4.029 0.01 1
279 34 47 THR HB H 4.192 0.01 1
280 34 47 THR HG2 H 1.444 0.01 1
281 34 47 THR CA C 63.367 0.1 1
282 34 47 THR CB C 66.699 0.1 1
283 34 47 THR N N 110.476 0.1 1
284 35 48 LYS H H 7.821 0.01 1
285 35 48 LYS HA H 3.931 0.01 1
286 35 48 LYS HB2 H 1.650 0.01 2
287 35 48 LYS HB3 H 1.879 0.01 2
288 35 48 LYS HG2 H 1.444 0.01 1
289 35 48 LYS HG3 H 1.444 0.01 1
290 35 48 LYS HD2 H 1.156 0.01 1
291 35 48 LYS HD3 H 1.156 0.01 1
292 35 48 LYS HE2 H 2.962 0.01 1
293 35 48 LYS HE3 H 2.962 0.01 1
294 35 48 LYS CA C 56.641 0.1 1
295 35 48 LYS CB C 30.244 0.1 1
296 35 48 LYS N N 120.564 0.1 1
297 36 49 HIS H H 7.626 0.01 1
298 36 49 HIS HA H 3.951 0.01 1
299 36 49 HIS HB2 H 2.403 0.01 1
300 36 49 HIS HB3 H 2.403 0.01 1
301 36 49 HIS HD1 H 6.419 0.01 1
302 36 49 HIS HE1 H 8.013 0.01 1
303 36 49 HIS CA C 56.268 0.1 1
304 36 49 HIS CB C 27.568 0.1 1
305 36 49 HIS N N 113.243 0.1 1
306 37 50 TYR H H 8.523 0.01 1
307 37 50 TYR HA H 5.151 0.01 1
308 37 50 TYR HB2 H 2.973 0.01 2
309 37 50 TYR HB3 H 3.499 0.01 2
310 37 50 TYR HD1 H 7.424 0.01 1
311 37 50 TYR HD2 H 7.424 0.01 1
312 37 50 TYR HE1 H 6.967 0.01 1
313 37 50 TYR HE2 H 6.967 0.01 1
314 37 50 TYR CA C 53.068 0.1 1
315 37 50 TYR CB C 36.800 0.1 1
316 37 50 TYR N N 117.347 0.1 1
317 38 51 PRO HG2 H 1.710 0.1 1
318 38 51 PRO HD2 H 3.450 0.1 1
319 38 51 PRO HD3 H 3.858 0.1 1
320 39 52 TYR H H 8.566 0.01 1
321 39 52 TYR HA H 3.792 0.01 1
322 39 52 TYR HB2 H 1.854 0.01 2
323 39 52 TYR HB3 H 3.082 0.01 2
324 39 52 TYR HD1 H 5.819 0.01 1
325 39 52 TYR HD2 H 5.819 0.01 1
326 39 52 TYR HE1 H 6.441 0.01 1
327 39 52 TYR HE2 H 6.441 0.01 1
328 39 52 TYR CA C 59.506 0.1 1
329 39 52 TYR CB C 38.228 0.1 1
330 39 52 TYR N N 118.200 0.1 1
331 40 53 TYR H H 8.081 0.1 1
332 40 53 TYR HA H 3.656 0.01 1
333 40 53 TYR HB2 H 2.179 0.01 1
334 40 53 TYR HD1 H 6.318 0.01 1
335 40 53 TYR HD2 H 6.318 0.01 1
336 40 53 TYR CA C 57.731 0.1 1
337 40 53 TYR CB C 30.526 0.1 1
338 40 53 TYR N N 114.587 0.1 1
339 41 54 ARG H H 8.092 0.01 1
340 41 54 ARG HA H 4.386 0.01 1
341 41 54 ARG HB2 H 1.757 0.01 2
342 41 54 ARG HB3 H 1.939 0.01 2
343 41 54 ARG HG2 H 1.441 0.01 1
344 41 54 ARG HG3 H 1.441 0.01 1
345 41 54 ARG HD2 H 3.667 0.01 1
346 41 54 ARG HD3 H 3.667 0.01 1
347 41 54 ARG HE H 7.143 0.01 1
348 41 54 ARG CA C 54.926 0.1 1
349 41 54 ARG N N 119.641 0.1 1
350 44 57 ASP HA H 4.618 0.01 1
351 44 57 ASP HB2 H 2.822 0.01 2
352 44 57 ASP HB3 H 2.958 0.01 2
353 44 57 ASP CA C 53.793 0.1 1
354 44 57 ASP CB C 39.788 0.1 1
355 45 58 LYS H H 8.498 0.01 1
356 45 58 LYS HA H 3.871 0.01 1
357 45 58 LYS HB2 H 1.689 0.01 1
358 45 58 LYS HB3 H 1.689 0.01 1
359 45 58 LYS CA C 55.566 0.1 1
360 45 58 LYS CB C 29.550 0.1 1
361 45 58 LYS N N 121.048 0.1 1
362 46 59 GLY H H 8.913 0.01 1
363 46 59 GLY HA2 H 3.792 0.01 2
364 46 59 GLY HA3 H 4.077 0.01 2
365 46 59 GLY CA C 45.709 0.1 1
366 46 59 GLY N N 111.230 0.1 1
367 47 60 TRP H H 8.215 0.01 1
368 47 60 TRP HA H 4.305 0.01 1
369 47 60 TRP HB2 H 3.547 0.01 2
370 47 60 TRP HB3 H 3.651 0.01 2
371 47 60 TRP HD1 H 7.947 0.01 1
372 47 60 TRP HE1 H 10.608 0.01 1
373 47 60 TRP HE3 H 7.007 0.01 1
374 47 60 TRP HZ2 H 7.204 0.01 1
375 47 60 TRP HH2 H 7.285 0.01 1
376 47 60 TRP CA C 56.818 0.1 1
377 47 60 TRP CB C 25.176 0.1 1
378 47 60 TRP N N 121.033 0.1 1
379 48 61 GLN HA H 2.982 0.01 1
380 48 61 GLN HB2 H -0.647 0.01 2
381 48 61 GLN HB3 H -0.053 0.01 2
382 48 61 GLN HG2 H 1.270 0.01 2
383 48 61 GLN HG3 H 1.318 0.01 2
384 48 61 GLN HE21 H 5.515 0.01 2
385 48 61 GLN HE22 H 6.498 0.01 2
386 48 61 GLN CA C 56.722 0.1 1
387 48 61 GLN CB C 23.847 0.1 1
388 49 62 ASN H H 7.679 0.01 1
389 49 62 ASN HA H 4.322 0.01 1
390 49 62 ASN HB2 H 2.765 0.01 2
391 49 62 ASN HB3 H 2.892 0.01 2
392 49 62 ASN HD21 H 6.965 0.01 2
393 49 62 ASN HD22 H 7.697 0.01 2
394 49 62 ASN CA C 53.714 0.1 1
395 49 62 ASN CB C 35.277 0.1 1
396 49 62 ASN N N 120.502 0.1 1
397 50 63 SER H H 7.869 0.01 1
398 50 63 SER HA H 4.154 0.01 1
399 50 63 SER HB2 H 3.150 0.01 2
400 50 63 SER HB3 H 3.306 0.01 2
401 50 63 SER CA C 60.001 0.1 1
402 50 63 SER CB C 57.710 0.1 1
403 50 63 SER N N 117.373 0.1 1
404 51 64 ILE H H 7.948 0.01 1
405 51 64 ILE HA H 3.537 0.01 1
406 51 64 ILE HB H 2.389 0.01 1
407 51 64 ILE HG12 H 1.590 0.01 2
408 51 64 ILE HG13 H 1.885 0.01 2
409 51 64 ILE HG2 H 0.840 0.01 1
410 51 64 ILE HD1 H 0.635 0.01 1
411 51 64 ILE CA C 60.636 0.1 1
412 51 64 ILE CB C 33.204 0.1 1
413 51 64 ILE N N 123.738 0.1 1
414 52 65 ARG H H 7.458 0.01 1
415 52 65 ARG HA H 3.590 0.01 1
416 52 65 ARG HB2 H 1.872 0.01 1
417 52 65 ARG HB3 H 1.872 0.01 1
418 52 65 ARG HG2 H 1.499 0.01 2
419 52 65 ARG HG3 H 1.875 0.01 2
420 52 65 ARG HD2 H 3.204 0.01 2
421 52 65 ARG HD3 H 3.504 0.01 2
422 52 65 ARG HE H 7.261 0.01 1
423 52 65 ARG CA C 57.954 0.1 1
424 52 65 ARG CB C 27.541 0.1 1
425 52 65 ARG N N 118.190 0.1 1
426 53 66 HIS H H 8.312 0.01 1
427 53 66 HIS HA H 4.344 0.01 1
428 53 66 HIS HB2 H 3.172 0.01 1
429 53 66 HIS HB3 H 3.172 0.01 1
430 53 66 HIS CA C 56.378 0.1 1
431 53 66 HIS CB C 27.632 0.1 1
432 53 66 HIS N N 117.138 0.1 1
433 53 66 HIS HD1 H 7.008 0.1 1
434 53 66 HIS HE1 H 8.020 0.1 1
435 54 67 ASN H H 7.957 0.1 1
436 54 67 ASN HA H 4.171 0.01 1
437 54 67 ASN HB2 H 2.233 0.01 2
438 54 67 ASN HB3 H 2.773 0.01 2
439 54 67 ASN HD21 H 7.561 0.01 2
440 54 67 ASN HD22 H 7.649 0.01 2
441 54 67 ASN CA C 55.122 0.1 1
442 54 67 ASN CB C 38.401 0.1 1
443 54 67 ASN N N 116.777 0.1 1
444 55 68 LEU H H 7.733 0.01 1
445 55 68 LEU HA H 3.759 0.01 1
446 55 68 LEU HB2 H -0.03 0.01 2
447 55 68 LEU HB3 H 1.062 0.01 2
448 55 68 LEU HG H -0.482 0.01 1
449 55 68 LEU HD1 H -0.604 0.01 1
450 55 68 LEU CA C 55.337 0.1 1
451 55 68 LEU CB C 38.501 0.1 1
452 55 68 LEU N N 119.470 0.1 1
453 56 69 SER H H 7.127 0.01 1
454 56 69 SER HA H 4.339 0.01 1
455 56 69 SER HB2 H 3.947 0.01 1
456 56 69 SER HB3 H 3.947 0.01 1
457 56 69 SER CA C 58.009 0.1 1
458 56 69 SER CB C 61.725 0.1 1
459 56 69 SER N N 108.687 0.1 1
460 57 70 LEU H H 7.620 0.01 1
461 57 70 LEU HA H 4.252 0.01 1
462 57 70 LEU HB2 H 1.444 0.01 2
463 57 70 LEU HB3 H 1.520 0.01 2
464 57 70 LEU HG H 1.597 0.01 1
465 57 70 LEU HD1 H 0.737 0.01 1
466 57 70 LEU CA C 53.622 0.1 1
467 57 70 LEU CB C 41.401 0.1 1
468 57 70 LEU N N 119.323 0.1 1
469 58 71 ASN H H 7.578 0.01 1
470 58 71 ASN HA H 4.575 0.01 1
471 58 71 ASN HB2 H 2.024 0.01 2
472 58 71 ASN HB3 H 2.594 0.01 2
473 58 71 ASN HD21 H 6.828 0.01 2
474 58 71 ASN HD22 H 7.767 0.01 2
475 58 71 ASN CA C 51.125 0.1 1
476 58 71 ASN CB C 37.082 0.1 1
477 58 71 ASN N N 116.564 0.1 1
478 59 72 ARG H H 8.427 0.1 1
479 59 72 ARG HA H 4.241 0.01 1
480 59 72 ARG HB2 H 1.706 0.01 2
481 59 72 ARG HB3 H 1.810 0.01 2
482 59 72 ARG HG2 H 1.485 0.01 1
483 59 72 ARG HG3 H 1.485 0.01 1
484 59 72 ARG HD2 H 3.129 0.01 1
485 59 72 ARG HD3 H 3.129 0.01 1
486 59 72 ARG HE H 7.268 0.01 1
487 59 72 ARG CA C 54.962 0.1 1
488 59 72 ARG CB C 27.115 0.1 1
489 59 72 ARG N N 121.236 0.1 1
490 60 73 TYR H H 7.251 0.01 1
491 60 73 TYR HA H 4.436 0.01 1
492 60 73 TYR HB2 H 2.435 0.02 2
493 60 73 TYR HB3 H 2.533 0.02 2
494 60 73 TYR HD1 H 6.643 0.01 1
495 60 73 TYR HD2 H 6.643 0.01 1
496 60 73 TYR HE1 H 6.542 0.01 1
497 60 73 TYR HE2 H 6.542 0.01 1
498 60 73 TYR CA C 54.480 0.1 1
499 60 73 TYR CB C 34.661 0.1 1
500 60 73 TYR N N 114.234 0.1 1
501 61 74 PHE H H 7.633 0.01 1
502 61 74 PHE HA H 5.726 0.01 1
503 61 74 PHE HB2 H 3.244 0.01 2
504 61 74 PHE HB3 H 3.351 0.01 2
505 61 74 PHE HD1 H 7.380 0.01 1
506 61 74 PHE HD2 H 7.380 0.01 1
507 61 74 PHE HE1 H 7.041 0.01 1
508 61 74 PHE HE2 H 7.041 0.01 1
509 61 74 PHE CA C 53.801 0.1 1
510 61 74 PHE CB C 37.733 0.1 1
511 61 74 PHE N N 118.938 0.1 1
512 62 75 ILE H H 9.406 0.01 1
513 62 75 ILE HA H 4.635 0.01 1
514 62 75 ILE HB H 1.755 0.01 1
515 62 75 ILE HG12 H 1.079 0.01 2
516 62 75 ILE HG13 H 1.430 0.01 2
517 62 75 ILE HG2 H 0.871 0.01 1
518 62 75 ILE CA C 56.929 0.1 1
519 62 75 ILE CB C 38.888 0.1 1
520 62 75 ILE N N 120.859 0.1 1
521 63 76 LYS H H 8.256 0.01 1
522 63 76 LYS HA H 3.859 0.01 1
523 63 76 LYS HB2 H 0.722 0.01 2
524 63 76 LYS HB3 H 1.077 0.01 2
525 63 76 LYS HG2 H 0.251 0.01 2
526 63 76 LYS HG3 H 0.350 0.01 2
527 63 76 LYS HD2 H 1.320 0.01 1
528 63 76 LYS HD3 H 1.320 0.01 1
529 63 76 LYS HE2 H 2.713 0.01 1
530 63 76 LYS HE3 H 2.713 0.01 1
531 63 76 LYS CA C 53.020 0.1 1
532 63 76 LYS CB C 30.403 0.1 1
533 63 76 LYS N N 125.904 0.1 1
534 64 77 VAL H H 8.741 0.01 1
535 64 77 VAL HA H 4.233 0.01 1
536 64 77 VAL HB H 1.912 0.01 1
537 64 77 VAL HG1 H 0.747 0.01 2
538 64 77 VAL HG2 H 0.887 0.01 2
539 64 77 VAL CA C 57.369 0.1 1
540 64 77 VAL CB C 30.606 0.1 1
541 64 77 VAL N N 127.526 0.1 1
542 65 78 PRO HA H 4.353 0.01 1
543 65 78 PRO HB2 H 1.792 0.01 2
544 65 78 PRO HB3 H 2.209 0.01 2
545 65 78 PRO HG2 H 2.143 0.01 1
546 65 78 PRO HG3 H 2.143 0.01 1
547 65 78 PRO CA C 60.729 0.1 1
548 65 78 PRO CB C 29.827 0.1 1
549 66 79 ARG H H 8.295 0.01 1
550 66 79 ARG HA H 4.250 0.01 1
551 66 79 ARG HB2 H 1.557 0.02 2
552 66 79 ARG HB3 H 1.752 0.02 2
553 66 79 ARG HG2 H 1.414 0.01 2
554 66 79 ARG HG3 H 1.470 0.01 2
555 66 79 ARG HD2 H 3.177 0.01 2
556 66 79 ARG HD3 H 3.394 0.01 2
557 66 79 ARG HE H 7.037 0.01 1
558 66 79 ARG CA C 54.046 0.1 1
559 66 79 ARG CB C 29.122 0.1 1
560 66 79 ARG N N 121.152 0.1 1
561 67 80 SER H H 8.596 0.01 1
562 67 80 SER HA H 4.405 0.01 1
563 67 80 SER HB2 H 3.791 0.01 2
564 67 80 SER HB3 H 3.921 0.01 2
565 67 80 SER CA C 55.837 0.1 1
566 67 80 SER CB C 61.664 0.1 1
567 67 80 SER N N 116.210 0.1 1
568 68 81 GLN H H 8.525 0.01 1
569 68 81 GLN HA H 4.179 0.01 1
570 68 81 GLN HB2 H 1.984 0.02 2
571 68 81 GLN HB3 H 2.094 0.02 2
572 68 81 GLN HG2 H 2.311 0.01 1
573 68 81 GLN HG3 H 2.311 0.01 1
574 68 81 GLN HE21 H 6.830 0.01 2
575 68 81 GLN HE22 H 7.558 0.01 2
576 68 81 GLN CA C 54.302 0.1 1
577 68 81 GLN CB C 26.865 0.1 1
578 68 81 GLN N N 121.898 0.1 1
579 69 82 GLU H H 8.349 0.01 1
580 69 82 GLU HA H 4.220 0.01 1
581 69 82 GLU HB2 H 1.886 0.01 2
582 69 82 GLU HB3 H 2.043 0.01 2
583 69 82 GLU HG2 H 2.209 0.01 1
584 69 82 GLU CA C 54.440 0.1 1
585 69 82 GLU CB C 27.413 0.1 1
586 69 82 GLU N N 118.654 0.1 1
587 70 83 GLU H H 7.851 0.01 1
588 70 83 GLU HA H 4.685 0.01 1
589 70 83 GLU HB2 H 1.878 0.01 2
590 70 83 GLU HB3 H 2.007 0.01 2
591 70 83 GLU HG2 H 2.193 0.01 1
592 70 83 GLU CA C 51.697 0.1 1
593 70 83 GLU CB C 28.107 0.1 1
594 70 83 GLU N N 120.365 0.1 1
595 71 84 PRO HA H 4.354 0.01 1
596 71 84 PRO HB2 H 1.915 0.01 2
597 71 84 PRO HB3 H 2.266 0.01 2
598 71 84 PRO HG2 H 2.062 0.01 1
599 71 84 PRO HG3 H 2.062 0.01 1
600 71 84 PRO HD2 H 3.669 0.01 1
601 71 84 PRO CA C 61.879 0.1 1
602 71 84 PRO CB C 29.505 0.1 1
603 72 85 GLY H H 8.675 0.01 1
604 72 85 GLY HA2 H 3.861 0.01 2
605 72 85 GLY HA3 H 3.992 0.01 2
606 72 85 GLY CA C 43.367 0.1 1
607 72 85 GLY N N 108.631 0.1 1
608 73 86 LYS H H 7.849 0.01 1
609 73 86 LYS HA H 4.385 0.01 1
610 73 86 LYS HB2 H 1.812 0.01 1
611 73 86 LYS HB3 H 1.812 0.01 1
612 73 86 LYS HG2 H 1.402 0.01 2
613 73 86 LYS HG3 H 1.320 0.01 2
614 73 86 LYS HD2 H 1.783 0.01 1
615 73 86 LYS HD3 H 1.783 0.01 1
616 73 86 LYS HE2 H 2.902 0.01 1
617 73 86 LYS HE3 H 2.902 0.01 1
618 73 86 LYS CA C 53.906 0.1 1
619 73 86 LYS CB C 31.026 0.1 1
620 73 86 LYS N N 119.278 0.1 1
621 74 87 GLY H H 8.195 0.01 1
622 74 87 GLY HA2 H 3.932 0.01 1
623 74 87 GLY HA3 H 4.025 0.01 1
624 74 87 GLY CA C 42.550 0.1 1
625 74 87 GLY N N 108.290 0.1 1
626 75 88 SER H H 8.064 0.01 1
627 75 88 SER HA H 4.441 0.01 1
628 75 88 SER HB2 H 3.304 0.01 2
629 75 88 SER HB3 H 3.492 0.01 2
630 75 88 SER CA C 56.265 0.1 1
631 75 88 SER CB C 62.173 0.1 1
632 75 88 SER N N 114.602 0.1 1
633 76 89 PHE H H 8.661 0.01 1
634 76 89 PHE HA H 4.434 0.01 1
635 76 89 PHE HB2 H 2.658 0.01 1
636 76 89 PHE HD1 H 6.919 0.01 1
637 76 89 PHE HD2 H 6.919 0.01 1
638 76 89 PHE HE1 H 7.358 0.01 1
639 76 89 PHE HE2 H 7.358 0.01 1
640 76 89 PHE CA C 55.705 0.1 1
641 76 89 PHE CB C 39.886 0.1 1
642 76 89 PHE N N 119.959 0.1 1
643 77 90 TRP H H 8.918 0.01 1
644 77 90 TRP HA H 5.260 0.01 1
645 77 90 TRP HB2 H 2.875 0.01 1
646 77 90 TRP HD1 H 6.918 0.01 1
647 77 90 TRP HE1 H 9.711 0.01 1
648 77 90 TRP HE3 H 7.351 0.01 1
649 77 90 TRP HZ2 H 7.305 0.01 1
650 77 90 TRP HH2 H 7.019 0.01 1
651 77 90 TRP CA C 54.229 0.1 1
652 77 90 TRP CB C 29.295 0.1 1
653 77 90 TRP N N 120.512 0.1 1
654 78 91 ARG H H 9.334 0.01 1
655 78 91 ARG HA H 5.060 0.01 1
656 78 91 ARG HB2 H 1.840 0.01 2
657 78 91 ARG HB3 H 2.030 0.01 2
658 78 91 ARG HG2 H 1.414 0.01 1
659 78 91 ARG HG3 H 1.608 0.01 1
660 78 91 ARG HD2 H 3.127 0.01 1
661 78 91 ARG HD3 H 3.192 0.01 1
662 78 91 ARG HE H 7.112 0.01 1
663 78 91 ARG CA C 51.970 0.1 1
664 78 91 ARG CB C 32.960 0.1 1
665 78 91 ARG N N 117.806 0.1 1
666 79 92 ILE H H 9.337 0.01 1
667 79 92 ILE HA H 4.760 0.01 1
668 79 92 ILE HB H 1.598 0.01 1
669 79 92 ILE HG12 H 0.953 0.01 1
670 79 92 ILE HG2 H 1.035 0.01 1
671 79 92 ILE CA C 58.173 0.1 1
672 79 92 ILE CB C 36.949 0.1 1
673 79 92 ILE N N 120.548 0.1 1
674 80 93 ASP H H 8.977 0.01 1
675 80 93 ASP HA H 4.492 0.01 1
676 80 93 ASP HB2 H 2.678 0.01 1
677 80 93 ASP CA C 50.450 0.1 1
678 80 93 ASP CB C 40.667 0.1 1
679 80 93 ASP N N 127.885 0.1 1
680 81 94 PRO HA H 4.361 0.01 1
681 81 94 PRO HB2 H 2.431 0.01 1
682 81 94 PRO HB3 H 2.431 0.01 1
683 81 94 PRO CA C 62.989 0.1 1
684 81 94 PRO CB C 29.900 0.1 1
685 82 95 ALA H H 8.321 0.01 1
686 82 95 ALA HA H 4.252 0.01 1
687 82 95 ALA HB H 1.478 0.01 1
688 82 95 ALA CA C 52.072 0.1 1
689 82 95 ALA CB C 16.094 0.1 1
690 82 95 ALA N N 119.126 0.1 1
691 83 96 SER H H 7.664 0.01 1
692 83 96 SER HA H 4.647 0.01 1
693 83 96 SER HB2 H 3.582 0.01 2
694 83 96 SER HB3 H 3.783 0.01 2
695 83 96 SER CA C 56.097 0.1 1
696 83 96 SER CB C 62.512 0.1 1
697 83 96 SER N N 111.162 0.1 1
698 84 97 GLU H H 7.403 0.01 1
699 84 97 GLU HA H 3.604 0.01 1
700 84 97 GLU HB2 H 1.982 0.01 2
701 84 97 GLU HB3 H 2.055 0.01 2
702 84 97 GLU HG2 H 1.729 0.01 2
703 84 97 GLU CA C 58.644 0.1 1
704 84 97 GLU CB C 28.592 0.1 1
705 84 97 GLU N N 121.589 0.1 1
706 85 98 ALA H H 8.721 0.01 1
707 85 98 ALA HA H 4.008 0.01 1
708 85 98 ALA HB H 1.390 0.01 1
709 85 98 ALA CA C 53.605 0.1 1
710 85 98 ALA CB C 15.135 0.1 1
711 85 98 ALA N N 119.396 0.1 1
712 86 99 LYS H H 7.965 0.01 1
713 86 99 LYS HA H 4.087 0.01 1
714 86 99 LYS HB2 H 1.734 0.01 2
715 86 99 LYS HB3 H 1.811 0.01 2
716 86 99 LYS HG2 H 1.390 0.01 2
717 86 99 LYS HG3 H 1.457 0.01 2
718 86 99 LYS HD2 H 1.635 0.01 1
719 86 99 LYS HD3 H 1.635 0.01 1
720 86 99 LYS HE2 H 2.918 0.01 1
721 86 99 LYS HE3 H 2.918 0.01 1
722 86 99 LYS CA C 55.879 0.1 1
723 86 99 LYS CB C 29.622 0.1 1
724 86 99 LYS N N 117.301 0.01 1
725 87 100 LEU H H 7.868 0.01 1
726 87 100 LEU HA H 3.902 0.01 1
727 87 100 LEU HB2 H 1.149 0.01 2
728 87 100 LEU HB3 H 1.628 0.01 2
729 87 100 LEU HG H 1.362 0.01 1
730 87 100 LEU HD1 H 0.107 0.01 2
731 87 100 LEU HD2 H 0.223 0.01 2
732 87 100 LEU CA C 55.481 0.1 1
733 87 100 LEU CB C 39.513 0.1 1
734 87 100 LEU N N 118.781 0.1 1
735 88 101 VAL H H 8.816 0.01 1
736 88 101 VAL HA H 3.442 0.01 1
737 88 101 VAL HB H 2.125 0.01 1
738 88 101 VAL HG1 H 0.986 0.01 1
739 88 101 VAL HG2 H 1.014 0.01 1
740 88 101 VAL CA C 64.885 0.1 1
741 88 101 VAL CB C 29.147 0.1 1
742 88 101 VAL N N 120.156 0.1 1
743 89 102 GLU H H 7.621 0.1 1
744 89 102 GLU HA H 4.108 0.01 1
745 89 102 GLU HB2 H 2.180 0.01 1
746 89 102 GLU HG2 H 2.261 0.01 2
747 89 102 GLU HG3 H 2.412 0.01 2
748 89 102 GLU CA C 57.044 0.1 1
749 89 102 GLU CB C 27.279 0.1 1
750 89 102 GLU N N 119.323 0.1 1
751 90 103 GLN H H 7.437 0.01 1
752 90 103 GLN HA H 4.252 0.01 1
753 90 103 GLN HB2 H 2.030 0.01 2
754 90 103 GLN HB3 H 2.280 0.01 2
755 90 103 GLN HG2 H 2.423 0.01 2
756 90 103 GLN HG3 H 2.530 0.01 2
757 90 103 GLN HE21 H 6.802 0.01 2
758 90 103 GLN HE22 H 7.541 0.01 2
759 90 103 GLN CA C 54.017 0.1 1
760 90 103 GLN CB C 27.089 0.1 1
761 90 103 GLN N N 114.207 0.1 1
762 91 104 ALA H H 7.893 0.01 1
763 91 104 ALA HA H 3.993 0.01 1
764 91 104 ALA HB H 1.293 0.01 1
765 91 104 ALA CA C 53.619 0.1 1
766 91 104 ALA CB C 16.666 0.1 1
767 91 104 ALA N N 123.301 0.1 1
768 92 105 PHE H H 7.952 0.01 1
769 92 105 PHE HA H 4.347 0.01 1
770 92 105 PHE HB2 H 2.700 0.01 2
771 92 105 PHE HB3 H 3.465 0.01 2
772 92 105 PHE HD1 H 7.188 0.01 1
773 92 105 PHE HD2 H 7.188 0.01 1
774 92 105 PHE HE1 H 7.304 0.01 1
775 92 105 PHE HE2 H 7.304 0.01 1
776 92 105 PHE CA C 55.192 0.1 1
777 92 105 PHE CB C 36.632 0.1 1
778 92 105 PHE N N 110.887 0.1 1
779 93 106 ARG H H 7.396 0.01 1
780 93 106 ARG HA H 4.442 0.01 1
781 93 106 ARG HB2 H 1.867 0.01 1
782 93 106 ARG HB3 H 1.867 0.01 1
783 93 106 ARG HG2 H 1.785 0.01 2
784 93 106 ARG HG3 H 1.854 0.01 2
785 93 106 ARG HD2 H 3.219 0.01 2
786 93 106 ARG HD3 H 3.258 0.01 2
787 93 106 ARG HE H 7.213 0.01 1
788 93 106 ARG CA C 54.043 0.1 1
789 93 106 ARG CB C 27.893 0.1 1
790 93 106 ARG N N 122.093 0.1 1
791 94 107 LYS H H 8.634 0.1 1
792 94 107 LYS HA H 4.122 0.01 1
793 94 107 LYS HB2 H 1.665 0.01 1
794 94 107 LYS HG2 H 1.199 0.01 1
795 94 107 LYS HG3 H 1.199 0.01 1
796 94 107 LYS HE2 H 3.028 0.01 1
797 94 107 LYS HE3 H 3.028 0.01 1
798 94 107 LYS CA C 54.522 0.1 1
799 94 107 LYS CB C 30.931 0.1 1
800 94 107 LYS N N 125.833 0.1 1
801 95 108 ARG H H 8.499 0.01 1
802 95 108 ARG HA H 4.290 0.01 1
803 95 108 ARG HB2 H 1.608 0.01 2
804 95 108 ARG HB3 H 1.721 0.01 2
805 95 108 ARG HG2 H 1.645 0.01 1
806 95 108 ARG HD2 H 3.121 0.01 1
807 95 108 ARG HD3 H 3.121 0.01 1
808 95 108 ARG CA C 53.964 0.1 1
809 95 108 ARG CB C 28.335 0.1 1
810 95 108 ARG N N 122.394 0.1 1
811 96 109 ARG H H 8.418 0.01 1
812 96 109 ARG HA H 4.230 0.01 1
813 96 109 ARG HB2 H 1.768 0.02 1
814 96 109 ARG HB3 H 1.768 0.02 1
815 96 109 ARG HG2 H 1.551 0.01 1
816 96 109 ARG HG3 H 1.551 0.01 1
817 96 109 ARG HD2 H 3.149 0.01 1
818 96 109 ARG HD3 H 3.149 0.01 1
819 96 109 ARG CA C 53.856 0.1 1
820 96 109 ARG CB C 28.540 0.1 1
821 96 109 ARG N N 122.919 0.1 1
822 97 110 GLN H H 8.435 0.01 1
823 97 110 GLN HA H 4.225 0.01 1
824 97 110 GLN HB2 H 1.907 0.01 2
825 97 110 GLN HB3 H 2.033 0.01 2
826 97 110 GLN HG2 H 2.290 0.01 1
827 97 110 GLN HG3 H 2.290 0.01 1
828 97 110 GLN HE21 H 6.849 0.01 2
829 97 110 GLN HE22 H 7.475 0.01 2
830 97 110 GLN CA C 53.592 0.1 1
831 97 110 GLN CB C 27.645 0.1 1
832 98 111 ARG H H 8.441 0.01 1
833 98 111 ARG HA H 4.284 0.01 1
834 98 111 ARG HB2 H 1.748 0.01 2
835 98 111 ARG HB3 H 1.892 0.01 2
836 98 111 ARG HG2 H 1.604 0.01 1
837 98 111 ARG HG3 H 1.604 0.01 1
838 98 111 ARG HD2 H 3.160 0.01 1
839 98 111 ARG HD3 H 3.160 0.01 1
840 98 111 ARG CA C 53.821 0.1 1
841 98 111 ARG CB C 27.925 0.1 1
842 98 111 ARG N N 122.441 0.1 1
843 99 112 GLY H H 8.483 0.01 1
844 99 112 GLY HA2 H 3.971 0.01 1
845 99 112 GLY HA3 H 3.971 0.01 1
846 99 112 GLY CA C 43.186 0.1 1
847 99 112 GLY N N 110.229 0.1 1
848 100 113 VAL H H 7.970 0.01 1
849 100 113 VAL HA H 4.199 0.01 1
850 100 113 VAL HB H 2.108 0.01 1
851 100 113 VAL HG1 H 0.870 0.01 2
852 100 113 VAL HG2 H 1.168 0.01 2
853 100 113 VAL CA C 59.830 0.1 1
854 100 113 VAL CB C 30.645 0.1 1
855 100 113 VAL N N 118.587 0.1 1
856 101 114 SER H H 7.992 0.01 1
857 101 114 SER HA H 4.335 0.01 1
858 101 114 SER HB2 H 3.817 0.01 1
859 101 114 SER HB3 H 3.817 0.01 1
860 101 114 SER CA C 57.834 0.1 1
861 101 114 SER CB C 62.717 0.1 1
862 101 114 SER N N 124.272 0.1 1
stop_
save_