data_6938
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C and 15N NMR assignment of the region 51-160 of human KIN17 protein
;
_BMRB_accession_number 6938
_BMRB_flat_file_name bmr6938.str
_Entry_type original
_Submission_date 2006-01-13
_Accession_date 2006-01-13
_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 Carlier Ludovic . .
2 'le Maire' Albane . .
3 Braud Sandrine . .
4 Masson Cedric . .
5 Gondry Muriel . .
6 Zinn-Justin Sophie . .
7 Guilhaudis Laure . .
8 Milazzo Isabelle . .
9 Davoust Daniel . .
10 Gilquin Bernard . .
11 Couprie Joel . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 727
"13C chemical shifts" 531
"15N chemical shifts" 120
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-02-08 update BMRB 'complete entry citation'
2006-05-02 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR Assignment of Region 51-160 of Human KIN17, a DNA and RNA-binding Protein'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16636754
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Carlier Ludovic . .
2 'le Maire' Albane . .
3 Braud Sandrine . .
4 Masson Cedric . .
5 Gondry Muriel . .
6 Zinn-Justin Sophie . .
7 Guilhaudis Laure . .
8 Milazzo Isabelle . .
9 Davoust Daniel . .
10 Gilquin Bernard . .
11 Couprie Joel . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 36
_Journal_issue 'Suppl. 5'
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 29
_Page_last 29
_Year 2006
_Details .
loop_
_Keyword
DNA-binding
KIN17
'NMR assignments'
'nuclear metabolism'
RNA-binding
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'monomer region 51-160 of human KIN17'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'monomer region 51-160 of human KIN17' $region_51-160_of_human_KIN17_polypeptide
stop_
_System_molecular_weight 13600
_System_physical_state native
_System_oligomer_state protein
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_region_51-160_of_human_KIN17_polypeptide
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common K2
_Molecular_mass 13600
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 111
_Mol_residue_sequence
;
GQRQLLLASENPQQFMDYFS
EEFRNDFLELLRRRFGTKRV
HNNIVYNEYISHREHIHMNA
TQWETLTDFTKWLGREGLCK
VDETPKGWYIQYIDRDPETI
RRQLELEKKKK
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 GLN 3 ARG 4 GLN 5 LEU
6 LEU 7 LEU 8 ALA 9 SER 10 GLU
11 ASN 12 PRO 13 GLN 14 GLN 15 PHE
16 MET 17 ASP 18 TYR 19 PHE 20 SER
21 GLU 22 GLU 23 PHE 24 ARG 25 ASN
26 ASP 27 PHE 28 LEU 29 GLU 30 LEU
31 LEU 32 ARG 33 ARG 34 ARG 35 PHE
36 GLY 37 THR 38 LYS 39 ARG 40 VAL
41 HIS 42 ASN 43 ASN 44 ILE 45 VAL
46 TYR 47 ASN 48 GLU 49 TYR 50 ILE
51 SER 52 HIS 53 ARG 54 GLU 55 HIS
56 ILE 57 HIS 58 MET 59 ASN 60 ALA
61 THR 62 GLN 63 TRP 64 GLU 65 THR
66 LEU 67 THR 68 ASP 69 PHE 70 THR
71 LYS 72 TRP 73 LEU 74 GLY 75 ARG
76 GLU 77 GLY 78 LEU 79 CYS 80 LYS
81 VAL 82 ASP 83 GLU 84 THR 85 PRO
86 LYS 87 GLY 88 TRP 89 TYR 90 ILE
91 GLN 92 TYR 93 ILE 94 ASP 95 ARG
96 ASP 97 PRO 98 GLU 99 THR 100 ILE
101 ARG 102 ARG 103 GLN 104 LEU 105 GLU
106 LEU 107 GLU 108 LYS 109 LYS 110 LYS
111 LYS
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 2V1N "Solution Structure Of The Region 51-160 Of Human Kin17 Reveals A Winged Helix Fold" 99.10 111 100.00 100.00 3.69e-75
DBJ BAB26281 "unnamed protein product [Mus musculus]" 99.10 196 100.00 100.00 1.02e-74
DBJ BAE39778 "unnamed protein product [Mus musculus]" 99.10 391 100.00 100.00 2.01e-74
DBJ BAG63244 "unnamed protein product [Homo sapiens]" 99.10 374 100.00 100.00 1.14e-74
DBJ BAN82198 "hypothetical protein, partial [Ovophis okinavensis]" 99.10 212 99.09 99.09 3.61e-74
EMBL CAA06462 "Kin17 [Homo sapiens]" 99.10 393 100.00 100.00 1.77e-74
GB AAH17309 "KIN, antigenic determinant of recA protein homolog (mouse) [Homo sapiens]" 99.10 393 100.00 100.00 1.77e-74
GB AAH28860 "Antigenic determinant of rec-A protein [Mus musculus]" 99.10 391 100.00 100.00 2.01e-74
GB AAI46083 "KIN protein [Bos taurus]" 99.10 234 100.00 100.00 2.77e-74
GB AHW40493 "DNA/RNA-binding protein KIN17 [Cricetulus griseus]" 99.10 392 100.00 100.00 1.98e-74
GB EAW86374 "KIN, antigenic determinant of recA protein homolog (mouse) [Homo sapiens]" 99.10 393 100.00 100.00 1.77e-74
PRF 1713233A "recA crossreacting protein KIN17" 78.38 200 100.00 100.00 1.04e-58
REF NP_001094569 "DNA/RNA-binding protein KIN17 [Bos taurus]" 99.10 234 100.00 100.00 2.77e-74
REF NP_001102999 "DNA/RNA-binding protein KIN17 [Rattus norvegicus]" 99.10 392 100.00 100.00 2.00e-74
REF NP_001248742 "DNA/RNA-binding protein KIN17 [Macaca mulatta]" 99.10 393 100.00 100.00 1.97e-74
REF NP_001278594 "DNA/RNA-binding protein KIN17 [Cricetulus griseus]" 99.10 392 100.00 100.00 1.98e-74
REF NP_036443 "DNA/RNA-binding protein KIN17 [Homo sapiens]" 99.10 393 100.00 100.00 1.77e-74
SP O60870 "RecName: Full=DNA/RNA-binding protein KIN17; AltName: Full=Binding to curved DNA; AltName: Full=KIN, antigenic determinant of r" 99.10 393 100.00 100.00 1.77e-74
SP Q8K339 "RecName: Full=DNA/RNA-binding protein KIN17; AltName: Full=Binding to curved DNA; AltName: Full=KIN, antigenic determinant of r" 99.10 391 100.00 100.00 2.01e-74
TPG DAA23636 "TPA: HsKin17 protein [Bos taurus]" 99.10 234 100.00 100.00 2.77e-74
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$region_51-160_of_human_KIN17_polypeptide Human 9606 Eukaryota Metazoa Homo sapiens
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
$region_51-160_of_human_KIN17_polypeptide 'recombinant technology' 'E. coli' . . 'BL21 Rosetta(DE3)' 'ZZ-domain fusion protein' pEXP-TH5
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '15N label'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$region_51-160_of_human_KIN17_polypeptide 0.7 mM [U-15N]
NaCl 150 mM .
'NaH2PO4/Na2HPO4 Phosphate' 50 mM .
H2O 90 % .
D2O 10 % .
TCEP 1 mM .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details '15N/13C label'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$region_51-160_of_human_KIN17_polypeptide 0.8 mM '[U-13C; U-15N]'
NaCl 150 mM .
'NaH2PO4/Na2HPO4 Phosphate' 50 mM .
H2O 90 % .
D2O 10 % .
TCEP 1 mM .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details '15N/13C label in D2O 100%'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$region_51-160_of_human_KIN17_polypeptide 0.7 mM '[U-13C; U-15N]'
NaCl 150 mM .
'NaH2PO4/Na2HPO4 Phosphate' 50 mM .
D2O 100 % .
TCEP 1 mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model 'Avance DMX'
_Field_strength 600
_Details '600 MHz equipped with triple resnance cryoprobe'
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 800
_Details '800 MHz equipped with triple resnance cryoprobe'
save_
#############################
# NMR applied experiments #
#############################
save_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H-15N_HSQC
_Sample_label .
save_
save_HNCO_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
save_HNCA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label .
save_
save_CBCACONH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONH
_Sample_label .
save_
save_CBCANH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCANH
_Sample_label .
save_
save_(HCA)CO(CA)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name (HCA)CO(CA)NH
_Sample_label .
save_
save_HBHACONH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHACONH
_Sample_label .
save_
save_HCCH-COSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-COSY
_Sample_label .
save_
save_HCCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_15N-NOESY-HSQC_10
_Saveframe_category NMR_applied_experiment
_Experiment_name 15N-NOESY-HSQC
_Sample_label .
save_
save_13C-NOESY-HSQC_11
_Saveframe_category NMR_applied_experiment
_Experiment_name 13C-NOESY-HSQC
_Sample_label .
save_
save_HNHA_12
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_Sample_label .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 200 10 mM
pH 6.0 0.1 pH
temperature 303 0.2 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
TSP C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144954 $entry_citation $entry_citation
TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.0 $entry_citation $entry_citation
TSP N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329144 $entry_citation $entry_citation
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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
1H-15N_HSQC
HNCO
HNCA
CBCACONH
CBCANH
(HCA)CO(CA)NH
HBHACONH
HCCH-COSY
HCCH-TOCSY
15N-NOESY-HSQC
13C-NOESY-HSQC
HNHA
stop_
loop_
_Sample_label
$sample_1
$sample_2
$sample_3
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name 'monomer region 51-160 of human KIN17'
_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 1 GLY HA2 H 3.900 0.03 1
2 1 1 GLY HA3 H 3.900 0.03 1
3 1 1 GLY CA C 43.130 0.3 1
4 2 2 GLN HA H 4.350 0.03 1
5 2 2 GLN HB2 H 2.080 0.03 2
6 2 2 GLN HB3 H 2.020 0.03 2
7 2 2 GLN HG2 H 2.360 0.03 1
8 2 2 GLN HG3 H 2.360 0.03 1
9 2 2 GLN HE21 H 7.530 0.03 2
10 2 2 GLN HE22 H 6.880 0.03 2
11 2 2 GLN C C 176.140 0.3 1
12 2 2 GLN CA C 56.490 0.3 1
13 2 2 GLN CB C 29.590 0.3 1
14 2 2 GLN CG C 33.690 0.3 1
15 2 2 GLN NE2 N 112.160 0.3 1
16 3 3 ARG H H 8.580 0.03 1
17 3 3 ARG HA H 4.260 0.03 1
18 3 3 ARG HB2 H 1.840 0.03 1
19 3 3 ARG HB3 H 1.840 0.03 1
20 3 3 ARG HG2 H 1.680 0.03 2
21 3 3 ARG HG3 H 1.630 0.03 2
22 3 3 ARG HD2 H 3.200 0.03 1
23 3 3 ARG HD3 H 3.200 0.03 1
24 3 3 ARG C C 176.350 0.3 1
25 3 3 ARG CA C 57.000 0.3 1
26 3 3 ARG CB C 30.620 0.3 1
27 3 3 ARG CG C 27.050 0.3 1
28 3 3 ARG CD C 43.260 0.3 1
29 3 3 ARG N N 122.050 0.3 1
30 4 4 GLN H H 8.370 0.03 1
31 4 4 GLN HA H 4.240 0.03 1
32 4 4 GLN HB2 H 2.060 0.03 1
33 4 4 GLN HB3 H 2.060 0.03 1
34 4 4 GLN HG2 H 2.380 0.03 1
35 4 4 GLN HG3 H 2.380 0.03 1
36 4 4 GLN HE21 H 7.490 0.03 2
37 4 4 GLN HE22 H 6.880 0.03 2
38 4 4 GLN C C 176.000 0.3 1
39 4 4 GLN CA C 56.600 0.3 1
40 4 4 GLN CB C 29.100 0.3 1
41 4 4 GLN CG C 33.900 0.3 1
42 4 4 GLN N N 120.950 0.3 1
43 4 4 GLN NE2 N 111.860 0.3 1
44 5 5 LEU H H 8.160 0.03 1
45 5 5 LEU HA H 4.370 0.03 1
46 5 5 LEU HB2 H 1.620 0.03 1
47 5 5 LEU HB3 H 1.620 0.03 1
48 5 5 LEU HG H 1.630 0.03 1
49 5 5 LEU HD1 H 0.890 0.03 2
50 5 5 LEU HD2 H 0.850 0.03 2
51 5 5 LEU C C 177.270 0.3 1
52 5 5 LEU CA C 55.060 0.3 1
53 5 5 LEU CB C 42.120 0.3 1
54 5 5 LEU CG C 26.900 0.3 1
55 5 5 LEU CD1 C 24.710 0.3 2
56 5 5 LEU CD2 C 23.590 0.3 2
57 5 5 LEU N N 123.040 0.3 1
58 6 6 LEU H H 8.140 0.03 1
59 6 6 LEU HA H 4.310 0.03 1
60 6 6 LEU HB2 H 1.640 0.03 2
61 6 6 LEU HB3 H 1.550 0.03 2
62 6 6 LEU HG H 1.640 0.03 1
63 6 6 LEU HD1 H 0.880 0.03 1
64 6 6 LEU HD2 H 0.800 0.03 1
65 6 6 LEU C C 177.320 0.3 1
66 6 6 LEU CA C 55.400 0.3 1
67 6 6 LEU CB C 42.080 0.3 1
68 6 6 LEU CG C 26.880 0.3 1
69 6 6 LEU CD1 C 24.850 0.3 2
70 6 6 LEU CD2 C 23.390 0.3 2
71 6 6 LEU N N 122.230 0.3 1
72 7 7 LEU H H 8.150 0.03 1
73 7 7 LEU HA H 4.290 0.03 1
74 7 7 LEU HB2 H 1.630 0.03 2
75 7 7 LEU HB3 H 1.520 0.03 2
76 7 7 LEU HG H 1.530 0.03 1
77 7 7 LEU HD1 H 0.780 0.03 1
78 7 7 LEU HD2 H 0.720 0.03 1
79 7 7 LEU C C 177.230 0.3 1
80 7 7 LEU CA C 55.400 0.3 1
81 7 7 LEU CB C 41.900 0.3 1
82 7 7 LEU CG C 26.860 0.3 1
83 7 7 LEU CD1 C 24.820 0.3 2
84 7 7 LEU CD2 C 23.330 0.3 2
85 7 7 LEU N N 122.230 0.3 1
86 8 8 ALA H H 8.130 0.03 1
87 8 8 ALA HA H 4.310 0.03 1
88 8 8 ALA HB H 1.400 0.03 1
89 8 8 ALA C C 177.680 0.3 1
90 8 8 ALA CA C 52.640 0.3 1
91 8 8 ALA CB C 18.980 0.3 1
92 8 8 ALA N N 123.650 0.3 1
93 9 9 SER H H 7.990 0.03 1
94 9 9 SER HA H 4.380 0.03 1
95 9 9 SER HB2 H 3.960 0.03 2
96 9 9 SER HB3 H 3.850 0.03 2
97 9 9 SER C C 174.470 0.3 1
98 9 9 SER CA C 58.490 0.3 1
99 9 9 SER CB C 63.740 0.3 1
100 9 9 SER N N 113.440 0.3 1
101 10 10 GLU H H 8.310 0.03 1
102 10 10 GLU HA H 4.300 0.03 1
103 10 10 GLU HB2 H 2.090 0.03 2
104 10 10 GLU HB3 H 1.980 0.03 2
105 10 10 GLU HG2 H 2.310 0.03 1
106 10 10 GLU HG3 H 2.310 0.03 1
107 10 10 GLU C C 175.840 0.3 1
108 10 10 GLU CA C 56.750 0.3 1
109 10 10 GLU CB C 30.240 0.3 1
110 10 10 GLU CG C 36.220 0.3 1
111 10 10 GLU N N 121.430 0.3 1
112 11 11 ASN H H 8.290 0.03 1
113 11 11 ASN HA H 5.030 0.03 1
114 11 11 ASN HB2 H 2.880 0.03 2
115 11 11 ASN HB3 H 2.710 0.03 2
116 11 11 ASN HD21 H 7.620 0.03 2
117 11 11 ASN HD22 H 6.950 0.03 2
118 11 11 ASN C C 173.200 0.3 1
119 11 11 ASN CA C 51.190 0.3 1
120 11 11 ASN CB C 38.970 0.3 1
121 11 11 ASN N N 118.520 0.3 1
122 11 11 ASN ND2 N 112.600 0.3 1
123 12 12 PRO HA H 4.450 0.03 1
124 12 12 PRO HB2 H 2.370 0.03 2
125 12 12 PRO HB3 H 2.000 0.03 2
126 12 12 PRO HG2 H 2.050 0.03 1
127 12 12 PRO HG3 H 2.050 0.03 1
128 12 12 PRO HD2 H 3.780 0.03 1
129 12 12 PRO HD3 H 3.780 0.03 1
130 12 12 PRO C C 177.530 0.3 1
131 12 12 PRO CA C 64.090 0.3 1
132 12 12 PRO CB C 32.040 0.3 1
133 12 12 PRO CG C 27.320 0.3 1
134 12 12 PRO CD C 50.700 0.3 1
135 13 13 GLN H H 8.400 0.03 1
136 13 13 GLN HA H 4.230 0.03 1
137 13 13 GLN HB2 H 2.060 0.03 1
138 13 13 GLN HB3 H 2.060 0.03 1
139 13 13 GLN HG2 H 2.370 0.03 1
140 13 13 GLN HG3 H 2.370 0.03 1
141 13 13 GLN HE21 H 7.570 0.03 2
142 13 13 GLN HE22 H 6.880 0.03 2
143 13 13 GLN C C 176.390 0.3 1
144 13 13 GLN CA C 56.720 0.3 1
145 13 13 GLN CB C 28.800 0.3 1
146 13 13 GLN CG C 33.900 0.3 1
147 13 13 GLN N N 118.980 0.3 1
148 13 13 GLN NE2 N 112.500 0.3 1
149 14 14 GLN H H 8.050 0.03 1
150 14 14 GLN HA H 4.210 0.03 1
151 14 14 GLN HB2 H 1.930 0.03 1
152 14 14 GLN HB3 H 1.930 0.03 1
153 14 14 GLN HG2 H 2.140 0.03 2
154 14 14 GLN HG3 H 2.105 0.03 2
155 14 14 GLN HE21 H 7.410 0.03 2
156 14 14 GLN HE22 H 6.830 0.03 2
157 14 14 GLN C C 175.950 0.3 1
158 14 14 GLN CA C 56.680 0.3 1
159 14 14 GLN CB C 29.190 0.3 1
160 14 14 GLN CG C 33.550 0.3 1
161 14 14 GLN N N 119.870 0.3 1
162 14 14 GLN NE2 N 111.810 0.3 1
163 15 15 PHE H H 8.090 0.03 1
164 15 15 PHE HA H 4.720 0.03 1
165 15 15 PHE HB2 H 3.210 0.03 2
166 15 15 PHE HB3 H 3.000 0.03 2
167 15 15 PHE HD1 H 7.250 0.03 1
168 15 15 PHE HD2 H 7.250 0.03 1
169 15 15 PHE HE1 H 7.330 0.03 1
170 15 15 PHE HE2 H 7.330 0.03 1
171 15 15 PHE HZ H 7.290 0.03 1
172 15 15 PHE C C 175.320 0.3 1
173 15 15 PHE CA C 57.780 0.3 1
174 15 15 PHE CB C 39.500 0.3 1
175 15 15 PHE CD1 C 131.550 0.3 1
176 15 15 PHE CD2 C 131.550 0.3 1
177 15 15 PHE CE1 C 131.520 0.3 1
178 15 15 PHE CE2 C 131.520 0.3 1
179 15 15 PHE CZ C 129.660 0.3 1
180 15 15 PHE N N 119.770 0.3 1
181 16 16 MET H H 8.090 0.03 1
182 16 16 MET HA H 4.450 0.03 1
183 16 16 MET HB2 H 2.090 0.03 2
184 16 16 MET HB3 H 2.000 0.03 2
185 16 16 MET HG2 H 2.470 0.03 2
186 16 16 MET HG3 H 2.440 0.03 2
187 16 16 MET HE H 2.000 0.03 1
188 16 16 MET C C 176.490 0.3 1
189 16 16 MET CA C 56.960 0.3 1
190 16 16 MET CB C 34.150 0.3 1
191 16 16 MET CG C 31.580 0.3 1
192 16 16 MET CE C 16.980 0.3 1
193 16 16 MET N N 121.430 0.3 1
194 17 17 ASP H H 8.390 0.03 1
195 17 17 ASP HA H 4.500 0.03 1
196 17 17 ASP HB2 H 2.890 0.03 2
197 17 17 ASP HB3 H 2.700 0.03 2
198 17 17 ASP C C 176.260 0.3 1
199 17 17 ASP CA C 55.050 0.3 1
200 17 17 ASP CB C 41.030 0.3 1
201 17 17 ASP N N 121.400 0.3 1
202 18 18 TYR H H 8.210 0.03 1
203 18 18 TYR HA H 4.250 0.03 1
204 18 18 TYR HB2 H 3.080 0.03 2
205 18 18 TYR HB3 H 2.660 0.03 2
206 18 18 TYR HD1 H 6.500 0.03 1
207 18 18 TYR HD2 H 6.500 0.03 1
208 18 18 TYR HE1 H 6.600 0.03 1
209 18 18 TYR HE2 H 6.600 0.03 1
210 18 18 TYR C C 177.180 0.3 1
211 18 18 TYR CA C 61.210 0.3 1
212 18 18 TYR CB C 38.590 0.3 1
213 18 18 TYR CD1 C 132.950 0.3 1
214 18 18 TYR CD2 C 132.950 0.3 1
215 18 18 TYR CE1 C 117.920 0.3 1
216 18 18 TYR CE2 C 117.920 0.3 1
217 18 18 TYR N N 120.710 0.3 1
218 19 19 PHE H H 8.250 0.03 1
219 19 19 PHE HA H 4.180 0.03 1
220 19 19 PHE HB2 H 3.140 0.03 2
221 19 19 PHE HB3 H 2.930 0.03 2
222 19 19 PHE HD1 H 7.470 0.03 1
223 19 19 PHE HD2 H 7.470 0.03 1
224 19 19 PHE HE1 H 7.535 0.03 1
225 19 19 PHE HE2 H 7.535 0.03 1
226 19 19 PHE HZ H 7.380 0.03 1
227 19 19 PHE C C 178.510 0.3 1
228 19 19 PHE CA C 61.550 0.3 1
229 19 19 PHE CB C 38.300 0.3 1
230 19 19 PHE CD1 C 131.520 0.3 1
231 19 19 PHE CD2 C 131.520 0.3 1
232 19 19 PHE CE1 C 131.530 0.3 1
233 19 19 PHE CE2 C 131.530 0.3 1
234 19 19 PHE CZ C 130.120 0.3 1
235 19 19 PHE N N 116.760 0.3 1
236 20 20 SER H H 8.490 0.03 1
237 20 20 SER HA H 4.270 0.03 1
238 20 20 SER HB2 H 3.830 0.03 2
239 20 20 SER HB3 H 3.520 0.03 2
240 20 20 SER C C 175.040 0.3 1
241 20 20 SER CA C 63.030 0.3 1
242 20 20 SER CB C 62.290 0.3 1
243 20 20 SER N N 116.270 0.3 1
244 21 21 GLU H H 7.990 0.03 1
245 21 21 GLU HA H 4.050 0.03 1
246 21 21 GLU HB2 H 2.070 0.03 1
247 21 21 GLU HB3 H 2.070 0.03 1
248 21 21 GLU HG2 H 2.290 0.03 1
249 21 21 GLU HG3 H 2.290 0.03 1
250 21 21 GLU C C 177.830 0.3 1
251 21 21 GLU CA C 59.620 0.3 1
252 21 21 GLU CB C 29.350 0.3 1
253 21 21 GLU CG C 36.000 0.3 1
254 21 21 GLU N N 121.900 0.3 1
255 22 22 GLU H H 8.230 0.03 1
256 22 22 GLU HA H 4.000 0.03 1
257 22 22 GLU HB2 H 2.050 0.03 2
258 22 22 GLU HB3 H 1.870 0.03 2
259 22 22 GLU HG2 H 2.000 0.03 1
260 22 22 GLU HG3 H 2.000 0.03 1
261 22 22 GLU C C 177.890 0.3 1
262 22 22 GLU CA C 59.250 0.3 1
263 22 22 GLU CB C 29.300 0.3 1
264 22 22 GLU CG C 35.670 0.3 1
265 22 22 GLU N N 118.470 0.3 1
266 23 23 PHE H H 8.610 0.03 1
267 23 23 PHE HA H 4.190 0.03 1
268 23 23 PHE HB2 H 3.380 0.03 2
269 23 23 PHE HB3 H 3.160 0.03 2
270 23 23 PHE HD1 H 6.900 0.03 1
271 23 23 PHE HD2 H 6.900 0.03 1
272 23 23 PHE HE1 H 5.940 0.03 1
273 23 23 PHE HE2 H 5.940 0.03 1
274 23 23 PHE HZ H 6.520 0.03 1
275 23 23 PHE C C 176.310 0.3 1
276 23 23 PHE CA C 61.570 0.3 1
277 23 23 PHE CB C 40.380 0.3 1
278 23 23 PHE CD1 C 132.140 0.3 1
279 23 23 PHE CD2 C 132.140 0.3 1
280 23 23 PHE CE1 C 129.950 0.3 1
281 23 23 PHE CE2 C 129.950 0.3 1
282 23 23 PHE CZ C 127.800 0.3 1
283 23 23 PHE N N 119.510 0.3 1
284 24 24 ARG H H 8.480 0.03 1
285 24 24 ARG HA H 3.870 0.03 1
286 24 24 ARG HB2 H 2.480 0.03 2
287 24 24 ARG HB3 H 2.300 0.03 2
288 24 24 ARG HG2 H 2.140 0.03 2
289 24 24 ARG HG3 H 1.880 0.03 2
290 24 24 ARG HD2 H 3.570 0.03 2
291 24 24 ARG HD3 H 3.450 0.03 2
292 24 24 ARG C C 177.520 0.3 1
293 24 24 ARG CA C 60.090 0.3 1
294 24 24 ARG CB C 29.750 0.3 1
295 24 24 ARG CG C 26.330 0.3 1
296 24 24 ARG CD C 44.310 0.3 1
297 24 24 ARG N N 117.620 0.3 1
298 25 25 ASN H H 8.720 0.03 1
299 25 25 ASN HA H 4.510 0.03 1
300 25 25 ASN HB2 H 3.050 0.03 2
301 25 25 ASN HB3 H 2.960 0.03 2
302 25 25 ASN HD21 H 7.730 0.03 2
303 25 25 ASN HD22 H 7.180 0.03 2
304 25 25 ASN C C 178.170 0.3 1
305 25 25 ASN CA C 55.950 0.3 1
306 25 25 ASN CB C 37.770 0.3 1
307 25 25 ASN N N 117.300 0.3 1
308 25 25 ASN ND2 N 112.390 0.3 1
309 26 26 ASP H H 8.970 0.03 1
310 26 26 ASP HA H 4.410 0.03 1
311 26 26 ASP HB2 H 2.950 0.03 2
312 26 26 ASP HB3 H 2.680 0.03 2
313 26 26 ASP C C 179.050 0.3 1
314 26 26 ASP CA C 56.930 0.3 1
315 26 26 ASP CB C 40.340 0.3 1
316 26 26 ASP N N 121.470 0.3 1
317 27 27 PHE H H 8.810 0.03 1
318 27 27 PHE HA H 3.480 0.03 1
319 27 27 PHE HB2 H 2.890 0.03 2
320 27 27 PHE HB3 H 2.100 0.03 2
321 27 27 PHE HD1 H 6.720 0.03 1
322 27 27 PHE HD2 H 6.720 0.03 1
323 27 27 PHE HE1 H 7.060 0.03 1
324 27 27 PHE HE2 H 7.060 0.03 1
325 27 27 PHE C C 176.780 0.3 1
326 27 27 PHE CA C 62.100 0.3 1
327 27 27 PHE CB C 39.570 0.3 1
328 27 27 PHE CD1 C 132.000 0.3 1
329 27 27 PHE CD2 C 132.000 0.3 1
330 27 27 PHE CE1 C 130.110 0.3 1
331 27 27 PHE CE2 C 130.110 0.3 1
332 27 27 PHE N N 122.250 0.3 1
333 28 28 LEU H H 8.430 0.03 1
334 28 28 LEU HA H 4.130 0.03 1
335 28 28 LEU HB2 H 2.240 0.03 2
336 28 28 LEU HB3 H 1.640 0.03 2
337 28 28 LEU HG H 2.230 0.03 1
338 28 28 LEU HD1 H 1.200 0.03 1
339 28 28 LEU HD2 H 1.100 0.03 1
340 28 28 LEU C C 178.600 0.3 1
341 28 28 LEU CA C 57.710 0.3 1
342 28 28 LEU CB C 41.760 0.3 1
343 28 28 LEU CG C 27.710 0.3 1
344 28 28 LEU CD1 C 27.010 0.3 2
345 28 28 LEU CD2 C 23.670 0.3 2
346 28 28 LEU N N 116.790 0.3 1
347 29 29 GLU H H 8.190 0.03 1
348 29 29 GLU HA H 4.050 0.03 1
349 29 29 GLU HB2 H 2.190 0.03 2
350 29 29 GLU HB3 H 2.050 0.03 2
351 29 29 GLU HG2 H 2.350 0.03 1
352 29 29 GLU HG3 H 2.350 0.03 1
353 29 29 GLU C C 178.070 0.3 1
354 29 29 GLU CA C 59.390 0.3 1
355 29 29 GLU CB C 29.150 0.3 1
356 29 29 GLU CG C 36.110 0.3 1
357 29 29 GLU N N 119.220 0.3 1
358 30 30 LEU H H 7.570 0.03 1
359 30 30 LEU HA H 3.990 0.03 1
360 30 30 LEU HB2 H 1.720 0.03 2
361 30 30 LEU HB3 H 1.670 0.03 2
362 30 30 LEU HG H 1.580 0.03 1
363 30 30 LEU HD1 H 0.950 0.03 1
364 30 30 LEU HD2 H 0.920 0.03 1
365 30 30 LEU C C 178.240 0.3 1
366 30 30 LEU CA C 58.310 0.3 1
367 30 30 LEU CB C 41.580 0.3 1
368 30 30 LEU CG C 27.520 0.3 1
369 30 30 LEU CD1 C 25.020 0.3 2
370 30 30 LEU CD2 C 26.010 0.3 2
371 30 30 LEU N N 120.720 0.3 1
372 31 31 LEU H H 8.210 0.03 1
373 31 31 LEU HA H 4.000 0.03 1
374 31 31 LEU HB2 H 2.100 0.03 2
375 31 31 LEU HB3 H 1.270 0.03 2
376 31 31 LEU HG H 1.660 0.03 1
377 31 31 LEU HD1 H 1.060 0.03 1
378 31 31 LEU HD2 H 1.000 0.03 1
379 31 31 LEU C C 177.490 0.3 1
380 31 31 LEU CA C 58.510 0.3 1
381 31 31 LEU CB C 42.440 0.3 1
382 31 31 LEU CG C 26.990 0.3 1
383 31 31 LEU CD1 C 28.380 0.3 2
384 31 31 LEU CD2 C 24.510 0.3 2
385 31 31 LEU N N 118.830 0.3 1
386 32 32 ARG H H 8.090 0.03 1
387 32 32 ARG HA H 3.760 0.03 1
388 32 32 ARG HB2 H 1.290 0.03 2
389 32 32 ARG HB3 H 1.110 0.03 2
390 32 32 ARG HG2 H 1.290 0.03 2
391 32 32 ARG HG3 H 1.210 0.03 2
392 32 32 ARG HD2 H 2.970 0.03 2
393 32 32 ARG HD3 H 2.800 0.03 2
394 32 32 ARG C C 179.350 0.3 1
395 32 32 ARG CA C 58.830 0.3 1
396 32 32 ARG CB C 29.840 0.3 1
397 32 32 ARG CG C 26.780 0.3 1
398 32 32 ARG CD C 43.340 0.3 1
399 32 32 ARG N N 116.220 0.3 1
400 33 33 ARG H H 8.400 0.03 1
401 33 33 ARG HA H 3.997 0.03 1
402 33 33 ARG HB2 H 1.930 0.03 2
403 33 33 ARG HB3 H 1.820 0.03 2
404 33 33 ARG HG2 H 1.700 0.03 2
405 33 33 ARG HG3 H 1.580 0.03 2
406 33 33 ARG HD2 H 3.170 0.03 1
407 33 33 ARG HD3 H 3.170 0.03 1
408 33 33 ARG C C 178.260 0.3 1
409 33 33 ARG CA C 59.060 0.3 1
410 33 33 ARG CB C 30.400 0.3 1
411 33 33 ARG CG C 27.480 0.3 1
412 33 33 ARG CD C 43.210 0.3 1
413 33 33 ARG N N 118.800 0.3 1
414 34 34 ARG H H 8.470 0.03 1
415 34 34 ARG HA H 4.050 0.03 1
416 34 34 ARG HB2 H 1.650 0.03 2
417 34 34 ARG HB3 H 0.970 0.03 2
418 34 34 ARG HG2 H 1.200 0.03 1
419 34 34 ARG HG3 H 1.200 0.03 1
420 34 34 ARG HD2 H 2.990 0.03 1
421 34 34 ARG HD3 H 2.990 0.03 1
422 34 34 ARG C C 177.230 0.3 1
423 34 34 ARG CA C 56.310 0.3 1
424 34 34 ARG CB C 30.210 0.3 1
425 34 34 ARG CG C 27.300 0.3 1
426 34 34 ARG CD C 41.510 0.3 1
427 34 34 ARG N N 115.560 0.3 1
428 35 35 PHE H H 8.260 0.03 1
429 35 35 PHE HA H 4.720 0.03 1
430 35 35 PHE HB2 H 3.240 0.03 2
431 35 35 PHE HB3 H 3.100 0.03 2
432 35 35 PHE HD1 H 7.320 0.03 1
433 35 35 PHE HD2 H 7.320 0.03 1
434 35 35 PHE HE1 H 7.180 0.03 1
435 35 35 PHE HE2 H 7.180 0.03 1
436 35 35 PHE C C 176.180 0.3 1
437 35 35 PHE CA C 57.820 0.3 1
438 35 35 PHE CB C 39.940 0.3 1
439 35 35 PHE CD1 C 132.560 0.3 1
440 35 35 PHE CD2 C 132.560 0.3 1
441 35 35 PHE CE1 C 130.980 0.3 1
442 35 35 PHE CE2 C 130.980 0.3 1
443 35 35 PHE N N 115.150 0.3 1
444 36 36 GLY H H 7.960 0.03 1
445 36 36 GLY HA2 H 4.050 0.03 2
446 36 36 GLY HA3 H 4.000 0.03 2
447 36 36 GLY C C 174.620 0.3 1
448 36 36 GLY CA C 47.100 0.3 1
449 36 36 GLY N N 112.360 0.3 1
450 37 37 THR H H 8.450 0.03 1
451 37 37 THR HA H 4.760 0.03 1
452 37 37 THR HB H 4.900 0.03 1
453 37 37 THR HG2 H 1.370 0.03 1
454 37 37 THR C C 174.570 0.3 1
455 37 37 THR CA C 60.600 0.3 1
456 37 37 THR CB C 67.970 0.3 1
457 37 37 THR CG2 C 21.550 0.3 1
458 37 37 THR N N 113.940 0.3 1
459 38 38 LYS H H 8.040 0.03 1
460 38 38 LYS HA H 4.350 0.03 1
461 38 38 LYS HB2 H 2.110 0.03 2
462 38 38 LYS HB3 H 1.940 0.03 2
463 38 38 LYS HG2 H 1.740 0.03 2
464 38 38 LYS HG3 H 1.610 0.03 2
465 38 38 LYS HD2 H 1.860 0.03 1
466 38 38 LYS HD3 H 1.860 0.03 1
467 38 38 LYS HE2 H 3.130 0.03 1
468 38 38 LYS HE3 H 3.130 0.03 1
469 38 38 LYS C C 175.790 0.3 1
470 38 38 LYS CA C 56.730 0.3 1
471 38 38 LYS CB C 33.470 0.3 1
472 38 38 LYS CG C 25.550 0.3 1
473 38 38 LYS CD C 29.310 0.3 1
474 38 38 LYS CE C 42.030 0.3 1
475 38 38 LYS N N 121.480 0.3 1
476 39 39 ARG H H 8.350 0.03 1
477 39 39 ARG HA H 4.770 0.03 1
478 39 39 ARG HB2 H 1.760 0.03 2
479 39 39 ARG HB3 H 1.550 0.03 2
480 39 39 ARG HG2 H 1.630 0.03 2
481 39 39 ARG HG3 H 1.380 0.03 2
482 39 39 ARG HD2 H 3.120 0.03 2
483 39 39 ARG HD3 H 2.920 0.03 2
484 39 39 ARG C C 176.370 0.3 1
485 39 39 ARG CA C 55.860 0.3 1
486 39 39 ARG CB C 30.610 0.3 1
487 39 39 ARG CG C 28.620 0.3 1
488 39 39 ARG CD C 43.370 0.3 1
489 39 39 ARG N N 123.110 0.3 1
490 40 40 VAL H H 9.290 0.03 1
491 40 40 VAL HA H 4.760 0.03 1
492 40 40 VAL HB H 1.630 0.03 1
493 40 40 VAL HG1 H 0.520 0.03 1
494 40 40 VAL HG2 H 0.470 0.03 1
495 40 40 VAL C C 173.160 0.3 1
496 40 40 VAL CA C 59.550 0.3 1
497 40 40 VAL CB C 36.010 0.3 1
498 40 40 VAL CG1 C 20.000 0.3 2
499 40 40 VAL CG2 C 19.790 0.3 2
500 40 40 VAL N N 125.520 0.3 1
501 41 41 HIS H H 8.420 0.03 1
502 41 41 HIS HA H 3.600 0.03 1
503 41 41 HIS HB2 H 2.910 0.03 2
504 41 41 HIS HB3 H 2.690 0.03 2
505 41 41 HIS HD2 H 6.890 0.03 1
506 41 41 HIS HE1 H 7.940 0.03 1
507 41 41 HIS C C 177.490 0.3 1
508 41 41 HIS CA C 56.800 0.3 1
509 41 41 HIS CB C 31.560 0.3 1
510 41 41 HIS CD2 C 117.800 0.3 1
511 41 41 HIS CE1 C 138.460 0.3 1
512 41 41 HIS N N 127.250 0.3 1
513 42 42 ASN H H 9.150 0.03 1
514 42 42 ASN HA H 3.970 0.03 1
515 42 42 ASN HB2 H 2.750 0.03 2
516 42 42 ASN HB3 H 2.620 0.03 2
517 42 42 ASN C C 177.060 0.3 1
518 42 42 ASN CA C 56.790 0.3 1
519 42 42 ASN CB C 35.800 0.3 1
520 42 42 ASN N N 127.370 0.3 1
521 43 43 ASN H H 9.090 0.03 1
522 43 43 ASN HA H 4.440 0.03 1
523 43 43 ASN HB2 H 2.660 0.03 2
524 43 43 ASN HB3 H 2.560 0.03 2
525 43 43 ASN HD21 H 7.470 0.03 2
526 43 43 ASN HD22 H 7.000 0.03 2
527 43 43 ASN C C 177.260 0.3 1
528 43 43 ASN CA C 55.680 0.3 1
529 43 43 ASN CB C 38.730 0.3 1
530 43 43 ASN N N 122.060 0.3 1
531 43 43 ASN ND2 N 110.840 0.3 1
532 44 44 ILE H H 7.440 0.03 1
533 44 44 ILE HA H 3.880 0.03 1
534 44 44 ILE HB H 2.100 0.03 1
535 44 44 ILE HG12 H 1.680 0.03 2
536 44 44 ILE HG13 H 1.360 0.03 2
537 44 44 ILE HG2 H 0.990 0.03 1
538 44 44 ILE HD1 H 1.010 0.03 1
539 44 44 ILE C C 178.830 0.3 1
540 44 44 ILE CA C 64.070 0.3 1
541 44 44 ILE CB C 37.350 0.3 1
542 44 44 ILE CG1 C 28.800 0.3 1
543 44 44 ILE CG2 C 17.180 0.3 1
544 44 44 ILE CD1 C 12.580 0.3 1
545 44 44 ILE N N 119.780 0.3 1
546 45 45 VAL H H 6.710 0.03 1
547 45 45 VAL HA H 3.530 0.03 1
548 45 45 VAL HB H 1.900 0.03 1
549 45 45 VAL HG1 H 0.600 0.03 1
550 45 45 VAL HG2 H 0.340 0.03 1
551 45 45 VAL C C 177.500 0.3 1
552 45 45 VAL CA C 65.230 0.3 1
553 45 45 VAL CB C 31.770 0.3 1
554 45 45 VAL CG1 C 22.500 0.3 2
555 45 45 VAL CG2 C 21.550 0.3 2
556 45 45 VAL N N 118.060 0.3 1
557 46 46 TYR H H 8.310 0.03 1
558 46 46 TYR HA H 4.360 0.03 1
559 46 46 TYR HB2 H 3.260 0.03 2
560 46 46 TYR HB3 H 3.050 0.03 2
561 46 46 TYR HD1 H 7.205 0.03 1
562 46 46 TYR HD2 H 7.205 0.03 1
563 46 46 TYR HE1 H 6.980 0.03 1
564 46 46 TYR HE2 H 6.980 0.03 1
565 46 46 TYR C C 176.130 0.3 1
566 46 46 TYR CA C 61.980 0.3 1
567 46 46 TYR CB C 39.830 0.3 1
568 46 46 TYR CD1 C 132.570 0.3 1
569 46 46 TYR CD2 C 132.570 0.3 1
570 46 46 TYR CE1 C 118.430 0.3 1
571 46 46 TYR CE2 C 118.430 0.3 1
572 46 46 TYR N N 118.770 0.3 1
573 47 47 ASN H H 8.560 0.03 1
574 47 47 ASN HA H 4.360 0.03 1
575 47 47 ASN HB2 H 2.960 0.03 2
576 47 47 ASN HB3 H 2.690 0.03 2
577 47 47 ASN HD21 H 7.490 0.03 2
578 47 47 ASN HD22 H 6.850 0.03 2
579 47 47 ASN C C 178.110 0.3 1
580 47 47 ASN CA C 55.710 0.3 1
581 47 47 ASN CB C 37.630 0.3 1
582 47 47 ASN N N 115.290 0.3 1
583 47 47 ASN ND2 N 110.350 0.3 1
584 48 48 GLU H H 7.370 0.03 1
585 48 48 GLU HA H 4.120 0.03 1
586 48 48 GLU HB2 H 2.300 0.03 2
587 48 48 GLU HB3 H 2.240 0.03 2
588 48 48 GLU HG2 H 2.450 0.03 2
589 48 48 GLU HG3 H 2.300 0.03 2
590 48 48 GLU C C 179.080 0.3 1
591 48 48 GLU CA C 59.370 0.3 1
592 48 48 GLU CB C 28.680 0.3 1
593 48 48 GLU CG C 36.460 0.3 1
594 48 48 GLU N N 118.970 0.3 1
595 49 49 TYR H H 8.320 0.03 1
596 49 49 TYR HA H 3.960 0.03 1
597 49 49 TYR HB2 H 3.260 0.03 2
598 49 49 TYR HB3 H 2.950 0.03 2
599 49 49 TYR HD1 H 6.910 0.03 1
600 49 49 TYR HD2 H 6.910 0.03 1
601 49 49 TYR HE1 H 7.060 0.03 1
602 49 49 TYR HE2 H 7.060 0.03 1
603 49 49 TYR C C 177.310 0.3 1
604 49 49 TYR CA C 61.960 0.3 1
605 49 49 TYR CB C 38.030 0.3 1
606 49 49 TYR CD1 C 131.600 0.3 1
607 49 49 TYR CD2 C 131.600 0.3 1
608 49 49 TYR CE1 C 119.390 0.3 1
609 49 49 TYR CE2 C 119.390 0.3 1
610 49 49 TYR N N 122.410 0.3 1
611 50 50 ILE H H 8.030 0.03 1
612 50 50 ILE HA H 2.710 0.03 1
613 50 50 ILE HB H 1.480 0.03 1
614 50 50 ILE HG12 H 1.130 0.03 2
615 50 50 ILE HG13 H 0.920 0.03 2
616 50 50 ILE HG2 H 0.340 0.03 1
617 50 50 ILE HD1 H 0.630 0.03 1
618 50 50 ILE C C 175.880 0.3 1
619 50 50 ILE CA C 62.480 0.3 1
620 50 50 ILE CB C 36.970 0.3 1
621 50 50 ILE CG1 C 25.810 0.3 1
622 50 50 ILE CG2 C 17.840 0.3 1
623 50 50 ILE CD1 C 13.450 0.3 1
624 50 50 ILE N N 109.590 0.3 1
625 51 51 SER H H 7.160 0.03 1
626 51 51 SER HA H 4.190 0.03 1
627 51 51 SER HB2 H 3.920 0.03 2
628 51 51 SER HB3 H 3.880 0.03 2
629 51 51 SER C C 174.290 0.3 1
630 51 51 SER CA C 59.710 0.3 1
631 51 51 SER CB C 63.330 0.3 1
632 51 51 SER N N 115.460 0.3 1
633 52 52 HIS H H 7.270 0.03 1
634 52 52 HIS HA H 4.680 0.03 1
635 52 52 HIS HB2 H 3.200 0.03 2
636 52 52 HIS HB3 H 3.040 0.03 2
637 52 52 HIS HD2 H 7.270 0.03 1
638 52 52 HIS HE1 H 8.325 0.03 1
639 52 52 HIS C C 175.670 0.3 9
640 52 52 HIS CA C 54.750 0.3 1
641 52 52 HIS CB C 28.870 0.3 1
642 52 52 HIS CD2 C 120.210 0.3 1
643 52 52 HIS CE1 C 136.430 0.3 1
644 52 52 HIS N N 120.160 0.3 1
645 53 53 ARG HA H 4.160 0.03 1
646 53 53 ARG HB2 H 1.910 0.03 1
647 53 53 ARG HB3 H 1.910 0.03 1
648 53 53 ARG HG2 H 1.690 0.03 1
649 53 53 ARG HG3 H 1.690 0.03 1
650 53 53 ARG HD2 H 3.250 0.03 1
651 53 53 ARG HD3 H 3.250 0.03 1
652 53 53 ARG C C 176.760 0.3 1
653 53 53 ARG CA C 58.920 0.3 1
654 53 53 ARG CB C 30.270 0.3 1
655 53 53 ARG CG C 27.100 0.3 1
656 53 53 ARG CD C 43.270 0.3 1
657 54 54 GLU H H 9.010 0.03 1
658 54 54 GLU HA H 4.340 0.03 1
659 54 54 GLU HB2 H 2.090 0.03 2
660 54 54 GLU HB3 H 1.970 0.03 2
661 54 54 GLU HG2 H 2.250 0.03 1
662 54 54 GLU HG3 H 2.250 0.03 1
663 54 54 GLU C C 175.630 0.3 1
664 54 54 GLU CA C 56.300 0.3 1
665 54 54 GLU CB C 28.360 0.3 1
666 54 54 GLU CG C 36.250 0.3 1
667 54 54 GLU N N 117.470 0.3 1
668 55 55 HIS H H 7.500 0.03 1
669 55 55 HIS HA H 4.440 0.03 1
670 55 55 HIS HB2 H 2.680 0.03 2
671 55 55 HIS HB3 H 2.310 0.03 2
672 55 55 HIS HD2 H 6.865 0.03 1
673 55 55 HIS HE1 H 8.040 0.03 1
674 55 55 HIS C C 173.120 0.3 1
675 55 55 HIS CA C 55.800 0.3 1
676 55 55 HIS CB C 28.210 0.3 1
677 55 55 HIS CD2 C 123.370 0.3 1
678 55 55 HIS CE1 C 136.910 0.3 1
679 55 55 HIS N N 118.030 0.3 1
680 56 56 ILE H H 8.830 0.03 1
681 56 56 ILE HA H 4.060 0.03 1
682 56 56 ILE HB H 2.340 0.03 1
683 56 56 ILE HG12 H 1.680 0.03 1
684 56 56 ILE HG13 H 1.680 0.03 1
685 56 56 ILE HG2 H 1.180 0.03 1
686 56 56 ILE HD1 H 1.040 0.03 1
687 56 56 ILE C C 176.640 0.3 1
688 56 56 ILE CA C 59.670 0.3 1
689 56 56 ILE CB C 37.540 0.3 1
690 56 56 ILE CG1 C 27.890 0.3 1
691 56 56 ILE CG2 C 17.970 0.3 1
692 56 56 ILE CD1 C 11.530 0.3 1
693 56 56 ILE N N 122.880 0.3 1
694 57 57 HIS H H 8.890 0.03 1
695 57 57 HIS HA H 4.780 0.03 1
696 57 57 HIS HB2 H 3.320 0.03 2
697 57 57 HIS HB3 H 3.070 0.03 2
698 57 57 HIS HD2 H 7.130 0.03 1
699 57 57 HIS HE1 H 8.250 0.03 1
700 57 57 HIS C C 176.190 0.3 1
701 57 57 HIS CA C 55.400 0.3 1
702 57 57 HIS CB C 29.830 0.3 1
703 57 57 HIS CD2 C 118.850 0.3 1
704 57 57 HIS CE1 C 136.610 0.3 1
705 57 57 HIS N N 126.670 0.3 1
706 58 58 MET H H 9.060 0.03 1
707 58 58 MET HA H 3.640 0.03 1
708 58 58 MET HB2 H 2.080 0.03 2
709 58 58 MET HB3 H 2.040 0.03 2
710 58 58 MET HG2 H 2.340 0.03 2
711 58 58 MET HG3 H 2.090 0.03 2
712 58 58 MET HE H 1.480 0.03 1
713 58 58 MET C C 178.280 0.3 1
714 58 58 MET CA C 58.460 0.3 1
715 58 58 MET CB C 32.730 0.3 1
716 58 58 MET CG C 31.650 0.3 1
717 58 58 MET CE C 16.670 0.3 1
718 58 58 MET N N 124.320 0.3 1
719 59 59 ASN H H 8.770 0.03 1
720 59 59 ASN HA H 4.680 0.03 1
721 59 59 ASN HB2 H 3.020 0.03 2
722 59 59 ASN HB3 H 2.810 0.03 2
723 59 59 ASN HD21 H 7.550 0.03 2
724 59 59 ASN HD22 H 6.770 0.03 2
725 59 59 ASN C C 175.340 0.3 1
726 59 59 ASN CA C 54.450 0.3 1
727 59 59 ASN CB C 36.690 0.3 1
728 59 59 ASN N N 114.580 0.3 1
729 59 59 ASN ND2 N 110.690 0.3 1
730 60 60 ALA H H 7.730 0.03 1
731 60 60 ALA HA H 4.340 0.03 1
732 60 60 ALA HB H 1.180 0.03 1
733 60 60 ALA C C 176.930 0.3 1
734 60 60 ALA CA C 51.970 0.3 1
735 60 60 ALA CB C 18.950 0.3 1
736 60 60 ALA N N 121.680 0.3 1
737 61 61 THR H H 7.700 0.03 1
738 61 61 THR HA H 4.540 0.03 1
739 61 61 THR HB H 4.220 0.03 1
740 61 61 THR HG2 H 0.990 0.03 1
741 61 61 THR C C 174.340 0.3 1
742 61 61 THR CA C 60.500 0.3 1
743 61 61 THR CB C 71.830 0.3 1
744 61 61 THR CG2 C 20.480 0.3 1
745 61 61 THR N N 107.540 0.3 1
746 62 62 GLN H H 7.380 0.03 1
747 62 62 GLN HA H 4.120 0.03 1
748 62 62 GLN HB2 H 1.630 0.03 2
749 62 62 GLN HB3 H 1.430 0.03 2
750 62 62 GLN HG2 H 0.110 0.03 2
751 62 62 GLN HG3 H -0.240 0.03 2
752 62 62 GLN HE21 H 6.490 0.03 2
753 62 62 GLN HE22 H 6.130 0.03 2
754 62 62 GLN C C 174.790 0.3 1
755 62 62 GLN CA C 55.170 0.3 1
756 62 62 GLN CB C 28.810 0.3 1
757 62 62 GLN CG C 30.580 0.3 1
758 62 62 GLN N N 112.400 0.3 1
759 62 62 GLN NE2 N 109.010 0.3 1
760 63 63 TRP H H 8.060 0.03 1
761 63 63 TRP HA H 4.630 0.03 1
762 63 63 TRP HB2 H 2.950 0.03 2
763 63 63 TRP HB3 H 2.850 0.03 2
764 63 63 TRP HD1 H 6.980 0.03 1
765 63 63 TRP HE1 H 7.640 0.03 1
766 63 63 TRP HE3 H 7.420 0.03 1
767 63 63 TRP HZ3 H 7.265 0.03 1
768 63 63 TRP HH2 H 6.670 0.03 1
769 63 63 TRP C C 174.960 0.3 1
770 63 63 TRP CA C 58.860 0.3 1
771 63 63 TRP CB C 28.970 0.3 1
772 63 63 TRP CD1 C 124.880 0.3 1
773 63 63 TRP CE3 C 120.240 0.3 1
774 63 63 TRP CZ3 C 122.370 0.3 1
775 63 63 TRP CH2 C 124.350 0.3 1
776 63 63 TRP N N 122.750 0.3 1
777 63 63 TRP NE1 N 127.240 0.3 1
778 64 64 GLU H H 9.080 0.03 1
779 64 64 GLU HA H 4.010 0.03 1
780 64 64 GLU HB2 H 2.110 0.03 1
781 64 64 GLU HB3 H 2.110 0.03 1
782 64 64 GLU HG2 H 2.350 0.03 2
783 64 64 GLU HG3 H 2.260 0.03 2
784 64 64 GLU C C 177.280 0.3 1
785 64 64 GLU CA C 58.490 0.3 1
786 64 64 GLU CB C 30.990 0.3 1
787 64 64 GLU CG C 36.660 0.3 1
788 64 64 GLU N N 120.780 0.3 1
789 65 65 THR H H 7.430 0.03 1
790 65 65 THR HA H 4.680 0.03 1
791 65 65 THR HB H 4.590 0.03 1
792 65 65 THR HG2 H 1.220 0.03 1
793 65 65 THR C C 174.520 0.3 1
794 65 65 THR CA C 58.580 0.3 1
795 65 65 THR CB C 74.040 0.3 1
796 65 65 THR CG2 C 21.670 0.3 1
797 65 65 THR N N 103.410 0.3 1
798 66 66 LEU H H 9.000 0.03 1
799 66 66 LEU HA H 3.860 0.03 1
800 66 66 LEU HB2 H 1.710 0.03 2
801 66 66 LEU HB3 H 0.910 0.03 2
802 66 66 LEU HG H 1.280 0.03 1
803 66 66 LEU HD1 H 0.630 0.03 1
804 66 66 LEU HD2 H 0.570 0.03 1
805 66 66 LEU C C 180.160 0.3 1
806 66 66 LEU CA C 57.220 0.3 1
807 66 66 LEU CB C 40.540 0.3 1
808 66 66 LEU CG C 27.220 0.3 1
809 66 66 LEU CD1 C 25.240 0.3 2
810 66 66 LEU CD2 C 21.750 0.3 2
811 66 66 LEU N N 121.800 0.3 1
812 67 67 THR H H 8.280 0.03 1
813 67 67 THR HA H 3.050 0.03 1
814 67 67 THR HB H 3.960 0.03 1
815 67 67 THR HG2 H 0.790 0.03 1
816 67 67 THR C C 174.320 0.3 1
817 67 67 THR CA C 67.290 0.3 1
818 67 67 THR CB C 67.810 0.3 1
819 67 67 THR CG2 C 22.000 0.3 1
820 67 67 THR N N 120.280 0.3 1
821 68 68 ASP H H 7.810 0.03 1
822 68 68 ASP HA H 4.240 0.03 1
823 68 68 ASP HB2 H 3.020 0.03 2
824 68 68 ASP HB3 H 2.940 0.03 2
825 68 68 ASP C C 178.890 0.3 1
826 68 68 ASP CA C 58.020 0.3 1
827 68 68 ASP CB C 41.490 0.3 1
828 68 68 ASP N N 122.180 0.3 1
829 69 69 PHE H H 7.650 0.03 1
830 69 69 PHE HA H 3.260 0.03 1
831 69 69 PHE HB2 H 2.440 0.03 2
832 69 69 PHE HB3 H 2.410 0.03 2
833 69 69 PHE HD1 H 6.980 0.03 1
834 69 69 PHE HD2 H 6.980 0.03 1
835 69 69 PHE C C 175.020 0.3 1
836 69 69 PHE CA C 59.590 0.3 1
837 69 69 PHE CB C 38.690 0.3 1
838 69 69 PHE N N 119.850 0.3 1
839 70 70 THR H H 8.020 0.03 1
840 70 70 THR HA H 3.110 0.03 1
841 70 70 THR HB H 3.710 0.03 1
842 70 70 THR HG2 H 0.850 0.03 1
843 70 70 THR C C 174.940 0.3 1
844 70 70 THR CA C 67.470 0.3 1
845 70 70 THR CB C 67.780 0.3 1
846 70 70 THR CG2 C 20.630 0.3 1
847 70 70 THR N N 116.060 0.3 1
848 71 71 LYS H H 7.930 0.03 1
849 71 71 LYS HA H 3.600 0.03 1
850 71 71 LYS HB2 H 1.740 0.03 2
851 71 71 LYS HB3 H 1.660 0.03 2
852 71 71 LYS HG2 H 1.020 0.03 2
853 71 71 LYS HG3 H 0.920 0.03 2
854 71 71 LYS HD2 H 1.560 0.03 1
855 71 71 LYS HD3 H 1.560 0.03 1
856 71 71 LYS HE2 H 2.970 0.03 2
857 71 71 LYS HE3 H 2.800 0.03 2
858 71 71 LYS C C 179.510 0.3 1
859 71 71 LYS CA C 60.090 0.3 1
860 71 71 LYS CB C 32.340 0.3 1
861 71 71 LYS CG C 25.940 0.3 1
862 71 71 LYS CD C 29.770 0.3 1
863 71 71 LYS CE C 41.790 0.3 1
864 71 71 LYS N N 118.630 0.3 1
865 72 72 TRP H H 7.760 0.03 1
866 72 72 TRP HA H 4.020 0.03 1
867 72 72 TRP HB2 H 3.590 0.03 2
868 72 72 TRP HB3 H 3.420 0.03 2
869 72 72 TRP HD1 H 7.640 0.03 1
870 72 72 TRP HE1 H 10.490 0.03 1
871 72 72 TRP HE3 H 6.970 0.03 1
872 72 72 TRP HZ2 H 7.710 0.03 1
873 72 72 TRP HZ3 H 6.735 0.03 1
874 72 72 TRP HH2 H 7.250 0.03 1
875 72 72 TRP C C 176.550 0.3 1
876 72 72 TRP CA C 62.530 0.3 1
877 72 72 TRP CB C 28.410 0.3 1
878 72 72 TRP CD1 C 127.090 0.3 1
879 72 72 TRP CE3 C 120.950 0.3 1
880 72 72 TRP CZ2 C 115.070 0.3 1
881 72 72 TRP CZ3 C 121.120 0.3 1
882 72 72 TRP CH2 C 124.000 0.3 1
883 72 72 TRP N N 122.430 0.3 1
884 72 72 TRP NE1 N 130.980 0.3 1
885 73 73 LEU H H 8.130 0.03 1
886 73 73 LEU HA H 3.410 0.03 1
887 73 73 LEU HB2 H 2.000 0.03 2
888 73 73 LEU HB3 H 0.860 0.03 2
889 73 73 LEU HG H 0.930 0.03 1
890 73 73 LEU HD1 H 0.770 0.03 2
891 73 73 LEU HD2 H 0.400 0.03 2
892 73 73 LEU C C 180.020 0.3 1
893 73 73 LEU CA C 58.050 0.3 1
894 73 73 LEU CB C 42.990 0.3 1
895 73 73 LEU CG C 25.520 0.3 1
896 73 73 LEU CD1 C 23.960 0.3 2
897 73 73 LEU CD2 C 25.760 0.3 2
898 73 73 LEU N N 118.240 0.3 1
899 74 74 GLY H H 7.470 0.03 1
900 74 74 GLY HA2 H 4.350 0.03 2
901 74 74 GLY HA3 H 3.700 0.03 2
902 74 74 GLY C C 177.320 0.3 1
903 74 74 GLY CA C 46.470 0.3 1
904 74 74 GLY N N 103.000 0.3 1
905 75 75 ARG H H 8.240 0.03 1
906 75 75 ARG HA H 4.005 0.03 1
907 75 75 ARG HB2 H 1.890 0.03 2
908 75 75 ARG HB3 H 1.820 0.03 2
909 75 75 ARG HG2 H 1.800 0.03 2
910 75 75 ARG HG3 H 1.590 0.03 2
911 75 75 ARG HD2 H 3.290 0.03 2
912 75 75 ARG HD3 H 3.260 0.03 2
913 75 75 ARG C C 178.600 0.3 1
914 75 75 ARG CA C 59.190 0.3 1
915 75 75 ARG CB C 30.070 0.3 1
916 75 75 ARG CG C 27.380 0.3 1
917 75 75 ARG CD C 43.470 0.3 1
918 75 75 ARG N N 125.400 0.3 1
919 76 76 GLU H H 7.920 0.03 1
920 76 76 GLU HA H 3.880 0.03 1
921 76 76 GLU HB2 H 1.740 0.03 2
922 76 76 GLU HB3 H 0.940 0.03 2
923 76 76 GLU HG2 H 1.230 0.03 2
924 76 76 GLU HG3 H 0.830 0.03 2
925 76 76 GLU C C 176.590 0.3 1
926 76 76 GLU CA C 55.550 0.3 1
927 76 76 GLU CB C 29.940 0.3 1
928 76 76 GLU CG C 34.680 0.3 1
929 76 76 GLU N N 114.880 0.3 1
930 77 77 GLY H H 7.530 0.03 1
931 77 77 GLY HA2 H 3.910 0.03 2
932 77 77 GLY HA3 H 3.730 0.03 2
933 77 77 GLY C C 174.060 0.3 1
934 77 77 GLY CA C 45.680 0.3 1
935 77 77 GLY N N 106.020 0.3 1
936 78 78 LEU H H 7.750 0.03 1
937 78 78 LEU HA H 4.280 0.03 1
938 78 78 LEU HB2 H 1.710 0.03 2
939 78 78 LEU HB3 H 1.520 0.03 2
940 78 78 LEU HG H 1.400 0.03 1
941 78 78 LEU HD1 H 0.890 0.03 1
942 78 78 LEU HD2 H 0.870 0.03 1
943 78 78 LEU C C 177.800 0.3 1
944 78 78 LEU CA C 55.730 0.3 1
945 78 78 LEU CB C 43.590 0.3 1
946 78 78 LEU CG C 27.260 0.3 1
947 78 78 LEU CD1 C 26.650 0.3 2
948 78 78 LEU CD2 C 22.420 0.3 2
949 78 78 LEU N N 117.010 0.3 1
950 79 79 CYS H H 7.080 0.03 1
951 79 79 CYS HA H 5.000 0.03 1
952 79 79 CYS HB2 H 2.690 0.03 2
953 79 79 CYS HB3 H 2.070 0.03 2
954 79 79 CYS C C 173.620 0.3 1
955 79 79 CYS CA C 56.300 0.3 1
956 79 79 CYS CB C 32.880 0.3 1
957 79 79 CYS N N 110.120 0.3 1
958 80 80 LYS H H 9.310 0.03 1
959 80 80 LYS HA H 4.580 0.03 1
960 80 80 LYS HB2 H 1.890 0.03 2
961 80 80 LYS HB3 H 1.720 0.03 2
962 80 80 LYS HG2 H 1.440 0.03 2
963 80 80 LYS HG3 H 1.380 0.03 2
964 80 80 LYS HD2 H 1.680 0.03 1
965 80 80 LYS HD3 H 1.680 0.03 1
966 80 80 LYS HE2 H 2.960 0.03 1
967 80 80 LYS HE3 H 2.960 0.03 1
968 80 80 LYS C C 176.560 0.3 1
969 80 80 LYS CA C 55.970 0.3 1
970 80 80 LYS CB C 33.190 0.3 1
971 80 80 LYS CG C 25.030 0.3 1
972 80 80 LYS CD C 29.000 0.3 1
973 80 80 LYS CE C 41.660 0.3 1
974 80 80 LYS N N 123.610 0.3 1
975 81 81 VAL H H 8.940 0.03 1
976 81 81 VAL HA H 5.540 0.03 1
977 81 81 VAL HB H 2.170 0.03 1
978 81 81 VAL HG1 H 0.980 0.03 1
979 81 81 VAL HG2 H 0.910 0.03 1
980 81 81 VAL C C 174.470 0.3 1
981 81 81 VAL CA C 59.490 0.3 1
982 81 81 VAL CB C 35.070 0.3 1
983 81 81 VAL CG1 C 20.070 0.3 2
984 81 81 VAL CG2 C 21.920 0.3 2
985 81 81 VAL N N 122.880 0.3 1
986 82 82 ASP H H 9.090 0.03 1
987 82 82 ASP HA H 4.880 0.03 1
988 82 82 ASP HB2 H 2.570 0.03 2
989 82 82 ASP HB3 H 2.450 0.03 2
990 82 82 ASP C C 172.110 0.3 1
991 82 82 ASP CA C 53.660 0.3 1
992 82 82 ASP CB C 44.170 0.3 1
993 82 82 ASP N N 122.750 0.3 1
994 83 83 GLU H H 8.330 0.03 1
995 83 83 GLU HA H 3.540 0.03 1
996 83 83 GLU HB2 H 1.170 0.03 2
997 83 83 GLU HB3 H -0.190 0.03 2
998 83 83 GLU HG2 H 1.440 0.03 2
999 83 83 GLU HG3 H 0.670 0.03 2
1000 83 83 GLU C C 175.200 0.3 1
1001 83 83 GLU CA C 55.410 0.3 1
1002 83 83 GLU CB C 29.690 0.3 1
1003 83 83 GLU CG C 35.400 0.3 1
1004 83 83 GLU N N 124.430 0.3 1
1005 84 84 THR H H 7.930 0.03 1
1006 84 84 THR HA H 5.070 0.03 1
1007 84 84 THR HB H 4.570 0.03 1
1008 84 84 THR HG2 H 1.020 0.03 1
1009 84 84 THR C C 174.600 0.3 1
1010 84 84 THR CA C 59.320 0.3 1
1011 84 84 THR CB C 70.150 0.3 1
1012 84 84 THR CG2 C 21.290 0.3 1
1013 84 84 THR N N 119.160 0.3 1
1014 85 85 PRO HA H 4.430 0.03 1
1015 85 85 PRO HB2 H 2.510 0.03 2
1016 85 85 PRO HB3 H 1.870 0.03 2
1017 85 85 PRO HG2 H 2.120 0.03 2
1018 85 85 PRO HG3 H 1.960 0.03 2
1019 85 85 PRO HD2 H 3.920 0.03 2
1020 85 85 PRO HD3 H 3.770 0.03 2
1021 85 85 PRO C C 177.070 0.3 1
1022 85 85 PRO CA C 64.900 0.3 1
1023 85 85 PRO CB C 32.090 0.3 1
1024 85 85 PRO CG C 28.050 0.3 1
1025 85 85 PRO CD C 51.130 0.3 1
1026 86 86 LYS H H 7.720 0.03 1
1027 86 86 LYS HA H 4.500 0.03 1
1028 86 86 LYS HB2 H 2.110 0.03 2
1029 86 86 LYS HB3 H 1.730 0.03 2
1030 86 86 LYS HG2 H 1.510 0.03 2
1031 86 86 LYS HG3 H 1.410 0.03 2
1032 86 86 LYS HD2 H 1.710 0.03 1
1033 86 86 LYS HD3 H 1.710 0.03 1
1034 86 86 LYS HE2 H 2.990 0.03 1
1035 86 86 LYS HE3 H 2.990 0.03 1
1036 86 86 LYS C C 175.790 0.3 1
1037 86 86 LYS CA C 55.220 0.3 1
1038 86 86 LYS CB C 33.090 0.3 1
1039 86 86 LYS CG C 25.290 0.3 1
1040 86 86 LYS CD C 28.800 0.3 1
1041 86 86 LYS CE C 41.740 0.3 1
1042 86 86 LYS N N 113.450 0.3 1
1043 87 87 GLY H H 7.830 0.03 1
1044 87 87 GLY HA2 H 4.730 0.03 2
1045 87 87 GLY HA3 H 3.950 0.03 2
1046 87 87 GLY C C 173.370 0.3 1
1047 87 87 GLY CA C 43.790 0.3 1
1048 87 87 GLY N N 108.450 0.3 1
1049 88 88 TRP H H 9.180 0.03 1
1050 88 88 TRP HA H 5.070 0.03 1
1051 88 88 TRP HB2 H 3.070 0.03 2
1052 88 88 TRP HB3 H 2.870 0.03 2
1053 88 88 TRP HD1 H 7.360 0.03 1
1054 88 88 TRP HE1 H 10.000 0.03 1
1055 88 88 TRP HE3 H 7.215 0.03 1
1056 88 88 TRP HZ2 H 7.325 0.03 1
1057 88 88 TRP HZ3 H 6.915 0.03 1
1058 88 88 TRP HH2 H 7.130 0.03 1
1059 88 88 TRP C C 175.170 0.3 1
1060 88 88 TRP CA C 57.480 0.3 1
1061 88 88 TRP CB C 30.280 0.3 1
1062 88 88 TRP CD1 C 125.810 0.3 1
1063 88 88 TRP CE3 C 118.960 0.3 1
1064 88 88 TRP CZ2 C 114.490 0.3 1
1065 88 88 TRP CZ3 C 121.300 0.3 1
1066 88 88 TRP CH2 C 124.650 0.3 1
1067 88 88 TRP N N 122.370 0.3 1
1068 88 88 TRP NE1 N 129.720 0.3 1
1069 89 89 TYR H H 9.400 0.03 1
1070 89 89 TYR HA H 4.910 0.03 1
1071 89 89 TYR HB2 H 2.990 0.03 2
1072 89 89 TYR HB3 H 2.530 0.03 2
1073 89 89 TYR HD1 H 6.835 0.03 1
1074 89 89 TYR HD2 H 6.835 0.03 1
1075 89 89 TYR HE1 H 6.620 0.03 1
1076 89 89 TYR HE2 H 6.620 0.03 1
1077 89 89 TYR C C 175.210 0.3 1
1078 89 89 TYR CA C 56.800 0.3 1
1079 89 89 TYR CB C 41.320 0.3 1
1080 89 89 TYR CD1 C 132.680 0.3 1
1081 89 89 TYR CD2 C 132.680 0.3 1
1082 89 89 TYR CE1 C 117.790 0.3 1
1083 89 89 TYR CE2 C 117.790 0.3 1
1084 89 89 TYR N N 122.740 0.3 1
1085 90 90 ILE H H 9.230 0.03 1
1086 90 90 ILE HA H 5.340 0.03 1
1087 90 90 ILE HB H 1.710 0.03 1
1088 90 90 ILE HG12 H 1.580 0.03 2
1089 90 90 ILE HG13 H 1.080 0.03 2
1090 90 90 ILE HG2 H 0.940 0.03 1
1091 90 90 ILE HD1 H 1.000 0.03 1
1092 90 90 ILE C C 173.640 0.3 1
1093 90 90 ILE CA C 59.020 0.3 1
1094 90 90 ILE CB C 42.790 0.3 1
1095 90 90 ILE CG1 C 25.750 0.3 1
1096 90 90 ILE CG2 C 19.430 0.3 1
1097 90 90 ILE CD1 C 14.800 0.3 1
1098 90 90 ILE N N 113.960 0.3 1
1099 91 91 GLN H H 8.260 0.03 1
1100 91 91 GLN HA H 4.730 0.03 1
1101 91 91 GLN HB2 H 2.070 0.03 2
1102 91 91 GLN HB3 H 1.630 0.03 2
1103 91 91 GLN HG2 H 2.260 0.03 2
1104 91 91 GLN HG3 H 2.140 0.03 2
1105 91 91 GLN HE21 H 7.980 0.03 2
1106 91 91 GLN HE22 H 6.820 0.03 2
1107 91 91 GLN C C 174.610 0.3 1
1108 91 91 GLN CA C 54.220 0.3 1
1109 91 91 GLN CB C 32.730 0.3 1
1110 91 91 GLN CG C 33.090 0.3 1
1111 91 91 GLN N N 120.330 0.3 1
1112 91 91 GLN NE2 N 111.690 0.3 1
1113 92 92 TYR H H 10.390 0.03 1
1114 92 92 TYR HA H 4.370 0.03 1
1115 92 92 TYR HB2 H 3.050 0.03 2
1116 92 92 TYR HB3 H 3.020 0.03 2
1117 92 92 TYR HD1 H 6.900 0.03 1
1118 92 92 TYR HD2 H 6.900 0.03 1
1119 92 92 TYR HE1 H 6.860 0.03 1
1120 92 92 TYR HE2 H 6.860 0.03 1
1121 92 92 TYR C C 173.810 0.3 1
1122 92 92 TYR CA C 60.430 0.3 1
1123 92 92 TYR CB C 38.610 0.3 1
1124 92 92 TYR CD1 C 131.860 0.3 1
1125 92 92 TYR CD2 C 131.860 0.3 1
1126 92 92 TYR CE1 C 118.770 0.3 1
1127 92 92 TYR CE2 C 118.770 0.3 1
1128 92 92 TYR N N 130.650 0.3 1
1129 93 93 ILE H H 6.280 0.03 1
1130 93 93 ILE HA H 3.880 0.03 1
1131 93 93 ILE HB H 1.320 0.03 1
1132 93 93 ILE HG12 H 1.380 0.03 2
1133 93 93 ILE HG13 H 0.780 0.03 2
1134 93 93 ILE HG2 H 0.670 0.03 1
1135 93 93 ILE HD1 H 0.490 0.03 1
1136 93 93 ILE C C 173.600 0.3 1
1137 93 93 ILE CA C 60.320 0.3 1
1138 93 93 ILE CB C 38.840 0.3 1
1139 93 93 ILE CG1 C 27.350 0.3 1
1140 93 93 ILE CG2 C 17.050 0.3 1
1141 93 93 ILE CD1 C 13.060 0.3 1
1142 93 93 ILE N N 125.260 0.3 1
1143 94 94 ASP H H 8.230 0.03 1
1144 94 94 ASP HA H 4.500 0.03 1
1145 94 94 ASP HB2 H 2.770 0.03 2
1146 94 94 ASP HB3 H 2.470 0.03 2
1147 94 94 ASP C C 175.720 0.3 1
1148 94 94 ASP CA C 53.640 0.3 1
1149 94 94 ASP CB C 41.280 0.3 1
1150 94 94 ASP N N 125.700 0.3 1
1151 95 95 ARG H H 8.150 0.03 1
1152 95 95 ARG HA H 4.370 0.03 1
1153 95 95 ARG HB2 H 1.860 0.03 2
1154 95 95 ARG HB3 H 1.690 0.03 2
1155 95 95 ARG HG2 H 1.610 0.03 2
1156 95 95 ARG HG3 H 1.550 0.03 2
1157 95 95 ARG HD2 H 3.190 0.03 1
1158 95 95 ARG HD3 H 3.190 0.03 1
1159 95 95 ARG C C 175.480 0.3 1
1160 95 95 ARG CA C 55.160 0.3 1
1161 95 95 ARG CB C 31.100 0.3 1
1162 95 95 ARG CG C 27.090 0.3 1
1163 95 95 ARG CD C 43.300 0.3 1
1164 95 95 ARG N N 123.360 0.3 1
1165 96 96 ASP H H 8.400 0.03 1
1166 96 96 ASP HA H 4.850 0.03 1
1167 96 96 ASP HB2 H 2.850 0.03 2
1168 96 96 ASP HB3 H 2.770 0.03 2
1169 96 96 ASP C C 174.900 0.3 1
1170 96 96 ASP CA C 52.680 0.3 1
1171 96 96 ASP CB C 41.240 0.3 1
1172 96 96 ASP N N 122.850 0.3 1
1173 97 97 PRO HA H 4.320 0.03 1
1174 97 97 PRO HB2 H 2.400 0.03 2
1175 97 97 PRO HB3 H 2.020 0.03 2
1176 97 97 PRO HG2 H 2.150 0.03 2
1177 97 97 PRO HG3 H 2.080 0.03 2
1178 97 97 PRO HD2 H 3.980 0.03 2
1179 97 97 PRO HD3 H 3.870 0.03 2
1180 97 97 PRO C C 178.530 0.3 1
1181 97 97 PRO CA C 64.840 0.3 1
1182 97 97 PRO CB C 32.280 0.3 1
1183 97 97 PRO CG C 27.550 0.3 1
1184 97 97 PRO CD C 50.930 0.3 1
1185 98 98 GLU H H 8.560 0.03 1
1186 98 98 GLU HA H 4.240 0.03 1
1187 98 98 GLU HB2 H 2.090 0.03 1
1188 98 98 GLU HB3 H 2.090 0.03 1
1189 98 98 GLU HG2 H 2.330 0.03 1
1190 98 98 GLU HG3 H 2.330 0.03 1
1191 98 98 GLU C C 178.020 0.3 1
1192 98 98 GLU CA C 58.250 0.3 1
1193 98 98 GLU CB C 29.270 0.3 1
1194 98 98 GLU CG C 36.200 0.3 1
1195 98 98 GLU N N 118.660 0.3 1
1196 99 99 THR H H 7.880 0.03 1
1197 99 99 THR HA H 4.020 0.03 1
1198 99 99 THR HB H 4.290 0.03 1
1199 99 99 THR HG2 H 1.250 0.03 1
1200 99 99 THR C C 176.100 0.3 1
1201 99 99 THR CA C 65.070 0.3 1
1202 99 99 THR CB C 68.590 0.3 1
1203 99 99 THR CG2 C 21.930 0.3 1
1204 99 99 THR N N 115.910 0.3 1
1205 100 100 ILE H H 7.770 0.03 1
1206 100 100 ILE HA H 3.880 0.03 1
1207 100 100 ILE HB H 1.890 0.03 1
1208 100 100 ILE HG12 H 1.530 0.03 2
1209 100 100 ILE HG13 H 1.170 0.03 2
1210 100 100 ILE HG2 H 0.920 0.03 1
1211 100 100 ILE HD1 H 0.820 0.03 1
1212 100 100 ILE C C 177.310 0.3 1
1213 100 100 ILE CA C 63.360 0.3 1
1214 100 100 ILE CB C 37.940 0.3 1
1215 100 100 ILE CG1 C 28.240 0.3 1
1216 100 100 ILE CG2 C 17.220 0.3 1
1217 100 100 ILE CD1 C 12.640 0.3 1
1218 100 100 ILE N N 121.700 0.3 1
1219 101 101 ARG H H 8.030 0.03 1
1220 101 101 ARG HA H 4.100 0.03 1
1221 101 101 ARG HB2 H 1.910 0.03 1
1222 101 101 ARG HB3 H 1.910 0.03 1
1223 101 101 ARG HG2 H 1.730 0.03 2
1224 101 101 ARG HG3 H 1.620 0.03 2
1225 101 101 ARG HD2 H 3.230 0.03 1
1226 101 101 ARG HD3 H 3.230 0.03 1
1227 101 101 ARG C C 178.100 0.3 1
1228 101 101 ARG CA C 58.590 0.3 1
1229 101 101 ARG CB C 30.350 0.3 1
1230 101 101 ARG CG C 27.270 0.3 1
1231 101 101 ARG CD C 43.300 0.3 1
1232 101 101 ARG N N 120.990 0.3 1
1233 102 102 ARG H H 8.130 0.03 1
1234 102 102 ARG HA H 4.160 0.03 1
1235 102 102 ARG HB2 H 1.920 0.03 1
1236 102 102 ARG HB3 H 1.920 0.03 1
1237 102 102 ARG HG2 H 1.800 0.03 2
1238 102 102 ARG HG3 H 1.670 0.03 2
1239 102 102 ARG HD2 H 3.240 0.03 1
1240 102 102 ARG HD3 H 3.240 0.03 1
1241 102 102 ARG C C 177.990 0.3 1
1242 102 102 ARG CA C 57.970 0.3 1
1243 102 102 ARG CB C 30.200 0.3 1
1244 102 102 ARG CG C 27.550 0.3 1
1245 102 102 ARG CD C 43.270 0.3 1
1246 102 102 ARG N N 119.270 0.3 1
1247 103 103 GLN H H 8.110 0.03 1
1248 103 103 GLN HA H 4.150 0.03 1
1249 103 103 GLN HB2 H 2.180 0.03 1
1250 103 103 GLN HB3 H 2.180 0.03 1
1251 103 103 GLN HG2 H 2.500 0.03 2
1252 103 103 GLN HG3 H 2.410 0.03 2
1253 103 103 GLN HE21 H 7.540 0.03 2
1254 103 103 GLN HE22 H 6.820 0.03 2
1255 103 103 GLN C C 177.790 0.3 1
1256 103 103 GLN CA C 57.860 0.3 1
1257 103 103 GLN CB C 28.510 0.3 1
1258 103 103 GLN CG C 33.820 0.3 1
1259 103 103 GLN N N 119.560 0.3 1
1260 103 103 GLN NE2 N 111.410 0.3 1
1261 104 104 LEU H H 8.160 0.03 1
1262 104 104 LEU HA H 4.210 0.03 1
1263 104 104 LEU HB2 H 1.830 0.03 2
1264 104 104 LEU HB3 H 1.620 0.03 2
1265 104 104 LEU HG H 1.770 0.03 5
1266 104 104 LEU HD1 H 0.930 0.03 5
1267 104 104 LEU HD2 H 0.900 0.03 5
1268 104 104 LEU C C 178.940 0.3 1
1269 104 104 LEU CA C 57.050 0.3 1
1270 104 104 LEU CB C 41.970 0.3 1
1271 104 104 LEU CG C 26.960 0.3 5
1272 104 104 LEU CD1 C 25.020 0.3 5
1273 104 104 LEU CD2 C 23.350 0.3 5
1274 104 104 LEU N N 120.680 0.3 1
1275 105 105 GLU H H 8.100 0.03 1
1276 105 105 GLU HA H 4.150 0.03 1
1277 105 105 GLU HB2 H 2.100 0.03 1
1278 105 105 GLU HB3 H 2.100 0.03 1
1279 105 105 GLU HG2 H 2.400 0.03 5
1280 105 105 GLU HG3 H 2.300 0.03 5
1281 105 105 GLU C C 177.980 0.3 1
1282 105 105 GLU CA C 58.200 0.3 1
1283 105 105 GLU CB C 29.800 0.3 1
1284 105 105 GLU CG C 36.320 0.3 5
1285 105 105 GLU N N 119.310 0.3 1
1286 106 106 LEU H H 7.915 0.03 1
1287 106 106 LEU HA H 4.210 0.03 1
1288 106 106 LEU HB2 H 1.830 0.03 1
1289 106 106 LEU HB3 H 1.640 0.03 1
1290 106 106 LEU HG H 1.770 0.03 5
1291 106 106 LEU HD1 H 0.930 0.03 5
1292 106 106 LEU HD2 H 0.900 0.03 5
1293 106 106 LEU C C 178.580 0.3 1
1294 106 106 LEU CA C 56.600 0.3 1
1295 106 106 LEU CB C 42.010 0.3 1
1296 106 106 LEU CG C 26.990 0.3 5
1297 106 106 LEU CD1 C 25.020 0.3 5
1298 106 106 LEU CD2 C 23.350 0.3 5
1299 106 106 LEU N N 120.320 0.3 1
1300 107 107 GLU H H 8.020 0.03 1
1301 107 107 GLU HA H 4.180 0.03 1
1302 107 107 GLU HB2 H 2.090 0.03 1
1303 107 107 GLU HB3 H 2.090 0.03 1
1304 107 107 GLU HG2 H 2.400 0.03 5
1305 107 107 GLU HG3 H 2.300 0.03 5
1306 107 107 GLU C C 177.190 0.3 1
1307 107 107 GLU CA C 57.210 0.3 1
1308 107 107 GLU CB C 29.700 0.3 1
1309 107 107 GLU CG C 36.250 0.3 5
1310 107 107 GLU N N 119.220 0.3 1
1311 108 108 LYS H H 7.910 0.03 1
1312 108 108 LYS HA H 4.260 0.03 1
1313 108 108 LYS HB2 H 1.900 0.03 2
1314 108 108 LYS HB3 H 1.855 0.03 2
1315 108 108 LYS HG2 H 1.560 0.03 2
1316 108 108 LYS HG3 H 1.480 0.03 2
1317 108 108 LYS HD2 H 1.710 0.03 1
1318 108 108 LYS HD3 H 1.710 0.03 1
1319 108 108 LYS HE2 H 3.010 0.03 1
1320 108 108 LYS HE3 H 3.010 0.03 1
1321 108 108 LYS C C 176.790 0.3 1
1322 108 108 LYS CA C 56.830 0.3 1
1323 108 108 LYS CB C 32.740 0.3 1
1324 108 108 LYS CG C 24.850 0.3 1
1325 108 108 LYS CD C 28.870 0.3 1
1326 108 108 LYS CE C 41.850 0.3 1
1327 108 108 LYS N N 119.920 0.3 1
1328 109 109 LYS H H 7.970 0.03 1
1329 109 109 LYS HA H 4.310 0.03 1
1330 109 109 LYS HB2 H 1.890 0.03 2
1331 109 109 LYS HB3 H 1.810 0.03 2
1332 109 109 LYS HG2 H 1.520 0.03 1
1333 109 109 LYS HG3 H 1.520 0.03 1
1334 109 109 LYS HD2 H 1.710 0.03 1
1335 109 109 LYS HD3 H 1.710 0.03 1
1336 109 109 LYS HE2 H 3.010 0.03 1
1337 109 109 LYS HE3 H 3.010 0.03 1
1338 109 109 LYS C C 176.390 0.3 1
1339 109 109 LYS CA C 56.400 0.3 1
1340 109 109 LYS CB C 32.930 0.3 1
1341 109 109 LYS CG C 24.740 0.3 1
1342 109 109 LYS CD C 28.840 0.3 1
1343 109 109 LYS CE C 41.850 0.3 1
1344 109 109 LYS N N 120.620 0.3 1
1345 110 110 LYS H H 8.105 0.03 1
1346 110 110 LYS HA H 4.310 0.03 1
1347 110 110 LYS HB2 H 1.890 0.03 2
1348 110 110 LYS HB3 H 1.810 0.03 2
1349 110 110 LYS HG2 H 1.480 0.03 1
1350 110 110 LYS HG3 H 1.480 0.03 1
1351 110 110 LYS HD2 H 1.710 0.03 1
1352 110 110 LYS HD3 H 1.710 0.03 1
1353 110 110 LYS HE2 H 3.010 0.03 1
1354 110 110 LYS HE3 H 3.010 0.03 1
1355 110 110 LYS C C 175.520 0.3 1
1356 110 110 LYS CA C 56.640 0.3 1
1357 110 110 LYS CB C 32.980 0.3 1
1358 110 110 LYS CG C 24.740 0.3 1
1359 110 110 LYS CD C 28.840 0.3 1
1360 110 110 LYS CE C 41.850 0.3 1
1361 110 110 LYS N N 122.440 0.3 1
1362 111 111 LYS H H 7.900 0.03 1
1363 111 111 LYS HA H 4.150 0.03 1
1364 111 111 LYS HB2 H 1.840 0.03 2
1365 111 111 LYS HB3 H 1.740 0.03 2
1366 111 111 LYS HG2 H 1.440 0.03 1
1367 111 111 LYS HG3 H 1.440 0.03 1
1368 111 111 LYS HD2 H 1.710 0.03 1
1369 111 111 LYS HD3 H 1.710 0.03 1
1370 111 111 LYS HE2 H 3.010 0.03 1
1371 111 111 LYS HE3 H 3.010 0.03 1
1372 111 111 LYS C C 181.160 0.3 9
1373 111 111 LYS CA C 57.800 0.3 1
1374 111 111 LYS CB C 33.420 0.3 1
1375 111 111 LYS CG C 24.710 0.3 1
1376 111 111 LYS CD C 28.890 0.3 1
1377 111 111 LYS CE C 41.850 0.3 1
1378 111 111 LYS N N 127.610 0.3 1
stop_
loop_
_Atom_shift_assign_ID_ambiguity
1265
1290
'1266,1266,1266,1291,1291,1291'
'1267,1267,1267,1292,1292,1292'
'1271,1296'
'1272,1297'
'1273,1298'
'1279,1304'
'1280,1305'
'1284,1309'
stop_
save_