data_16111
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Sequence-specific 1H, 15N and 13C resonance assignments of Art v 1: a proline-rich allergen of Artemisia vulgaris pollen
;
_BMRB_accession_number 16111
_BMRB_flat_file_name bmr16111.str
_Entry_type original
_Submission_date 2009-01-08
_Accession_date 2009-01-08
_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 Razzera Guilherme . .
2 Gadermaier Gabriele . .
3 Almeida Marcius . .
4 Ferreira Fatima . .
5 Almeida Fabio . .
6 Valente 'Ana Paula' . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 561
"13C chemical shifts" 293
"15N chemical shifts" 106
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-04-15 update BMRB 'added related PDB ID'
2009-08-20 update BMRB 'added PubMed ID'
2009-06-05 update BMRB 'completed entry citation'
2009-03-17 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_Citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Sequence-specific 1H, 15N and 13C resonance assignments of Art v 1: a proline-rich allergen of Artemisia vulgaris pollen'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19636957
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Razzera Guilherme . .
2 Gadermaier Gabriele . .
3 Almeida Marcius S. .
4 Ferreira Fatima . .
5 Almeida Fabio C.L. .
6 Valente 'Ana Paula' . .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_name_full 'Biomolecular NMR Assignments'
_Journal_volume 3
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 103
_Page_last 106
_Year 2009
_Details .
loop_
_Keyword
'Artemisia vulgaris'
'Art v 1'
'pollen allergen'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Art v 1- the major allergen of Artemisia vulgaris'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Art v 1' $Art_v_1
stop_
_System_molecular_weight 10800
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Art_v_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Art_v_1
_Molecular_mass 10800.0
_Mol_thiol_state 'all disulfide bound'
loop_
_Biological_function
Allergen
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 108
_Mol_residue_sequence
;
AGSKLCEKTSKTYSGKCDNK
KCDKKCIEWEKAQHGACHKR
EAGKESCFCYFDCSKSPPGA
TPAPPGAAPPPAAGGSPSPP
ADGGSPPPPADGGSPPVDGG
SPPPPSTH
;
loop_
_Residue_seq_code
_Residue_label
1 ALA 2 GLY 3 SER 4 LYS 5 LEU
6 CYS 7 GLU 8 LYS 9 THR 10 SER
11 LYS 12 THR 13 TYR 14 SER 15 GLY
16 LYS 17 CYS 18 ASP 19 ASN 20 LYS
21 LYS 22 CYS 23 ASP 24 LYS 25 LYS
26 CYS 27 ILE 28 GLU 29 TRP 30 GLU
31 LYS 32 ALA 33 GLN 34 HIS 35 GLY
36 ALA 37 CYS 38 HIS 39 LYS 40 ARG
41 GLU 42 ALA 43 GLY 44 LYS 45 GLU
46 SER 47 CYS 48 PHE 49 CYS 50 TYR
51 PHE 52 ASP 53 CYS 54 SER 55 LYS
56 SER 57 PRO 58 PRO 59 GLY 60 ALA
61 THR 62 PRO 63 ALA 64 PRO 65 PRO
66 GLY 67 ALA 68 ALA 69 PRO 70 PRO
71 PRO 72 ALA 73 ALA 74 GLY 75 GLY
76 SER 77 PRO 78 SER 79 PRO 80 PRO
81 ALA 82 ASP 83 GLY 84 GLY 85 SER
86 PRO 87 PRO 88 PRO 89 PRO 90 ALA
91 ASP 92 GLY 93 GLY 94 SER 95 PRO
96 PRO 97 VAL 98 ASP 99 GLY 100 GLY
101 SER 102 PRO 103 PRO 104 PRO 105 PRO
106 SER 107 THR 108 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-29
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 2KPY "Solution Structure Of The Major Allergen Of Artemisia Vulgaris (Art V 1)" 100.00 108 100.00 100.00 3.96e-65
GB AAO24900 "major pollen allergen Art v 1 precursor [Artemisia vulgaris]" 100.00 132 100.00 100.00 7.30e-66
GB AAQ07455 "major pollen allergen Artv1 [synthetic construct]" 100.00 109 100.00 100.00 3.66e-65
GB AHF71025 "major pollen allergen Art v 1-like protein, partial [Artemisia ludoviciana]" 100.00 108 97.22 97.22 7.92e-63
SP Q84ZX5 "RecName: Full=Major pollen allergen Art v 1; AltName: Full=Defensin-like protein 1; AltName: Allergen=Art v 1; Flags: Precursor" 100.00 132 100.00 100.00 7.30e-66
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Art_v_1 'common wormwood' 4220 Eukaryota Viridiplantae Artemisia vulgaris
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$Art_v_1 'recombinant technology' . Escherichia coli 'Rosetta-gami B(DE3)pLysS' 'pHIS parellel2'
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
$Art_v_1 1 mM '[U-99% 13C; U-99% 15N]'
'Potassium Acetate' 10 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
'data analysis'
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_Cara
_Saveframe_category software
_Name CARA
_Version 1.84
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_H(CCO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_3D_1H-15N_TOCSY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY'
_Sample_label $sample_1
save_
save_HCAN_12
_Saveframe_category NMR_applied_experiment
_Experiment_name HCAN
_Sample_label $sample_1
save_
save_HCACON_13
_Saveframe_category NMR_applied_experiment
_Experiment_name HCACON
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.01 . M
pH 5.3 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_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
DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118
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_artv1_BMRB
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 1H-15N NOESY'
'3D 1H-13C NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'Art v 1'
_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 ALA HA H 4.332 0.020 1
2 1 1 ALA HB H 1.399 0.020 1
3 1 1 ALA CA C 52.176 0.300 1
4 1 1 ALA CB C 19.040 0.300 1
5 2 2 GLY H H 8.402 0.020 1
6 2 2 GLY HA2 H 4.045 0.020 1
7 2 2 GLY HA3 H 4.045 0.020 1
8 2 2 GLY CA C 44.880 0.300 1
9 2 2 GLY N N 108.154 0.300 1
10 3 3 SER H H 8.349 0.020 1
11 3 3 SER HA H 4.502 0.020 1
12 3 3 SER HB2 H 3.867 0.020 1
13 3 3 SER HB3 H 3.867 0.020 1
14 3 3 SER CA C 58.019 0.300 1
15 3 3 SER CB C 63.109 0.300 1
16 3 3 SER N N 115.830 0.300 1
17 4 4 LYS H H 8.502 0.020 1
18 4 4 LYS HA H 4.420 0.020 1
19 4 4 LYS HB2 H 1.855 0.020 2
20 4 4 LYS HB3 H 1.768 0.020 2
21 4 4 LYS HD2 H 1.704 0.020 1
22 4 4 LYS HD3 H 1.704 0.020 1
23 4 4 LYS HE2 H 3.055 0.020 1
24 4 4 LYS HE3 H 3.055 0.020 1
25 4 4 LYS HG2 H 1.509 0.020 2
26 4 4 LYS HG3 H 1.459 0.020 2
27 4 4 LYS CA C 56.241 0.300 1
28 4 4 LYS CB C 33.477 0.300 1
29 4 4 LYS CD C 28.843 0.300 1
30 4 4 LYS CE C 41.862 0.300 1
31 4 4 LYS CG C 24.679 0.300 1
32 4 4 LYS N N 123.773 0.300 1
33 5 5 LEU H H 8.494 0.020 1
34 5 5 LEU HA H 5.089 0.020 1
35 5 5 LEU HB2 H 1.834 0.020 2
36 5 5 LEU HB3 H 1.482 0.020 2
37 5 5 LEU HD1 H 0.819 0.020 2
38 5 5 LEU HD2 H 0.855 0.020 2
39 5 5 LEU HG H 1.719 0.020 1
40 5 5 LEU CA C 53.980 0.300 1
41 5 5 LEU CB C 44.033 0.300 1
42 5 5 LEU CD1 C 25.653 0.300 1
43 5 5 LEU CD2 C 25.653 0.300 1
44 5 5 LEU CG C 28.781 0.300 1
45 5 5 LEU N N 122.895 0.300 1
46 6 6 CYS H H 9.662 0.020 1
47 6 6 CYS HA H 5.174 0.020 1
48 6 6 CYS HB2 H 2.980 0.020 2
49 6 6 CYS HB3 H 2.801 0.020 2
50 6 6 CYS CA C 59.357 0.300 1
51 6 6 CYS CB C 40.925 0.300 1
52 6 6 CYS N N 121.953 0.300 1
53 7 7 GLU H H 9.268 0.020 1
54 7 7 GLU HA H 4.781 0.020 1
55 7 7 GLU HB2 H 1.936 0.020 2
56 7 7 GLU HB3 H 1.784 0.020 2
57 7 7 GLU HG2 H 2.852 0.020 2
58 7 7 GLU HG3 H 2.650 0.020 2
59 7 7 GLU CA C 54.955 0.300 1
60 7 7 GLU CB C 33.438 0.300 1
61 7 7 GLU CG C 40.946 0.300 1
62 7 7 GLU N N 124.996 0.300 1
63 8 8 LYS H H 9.129 0.020 1
64 8 8 LYS HA H 4.809 0.020 1
65 8 8 LYS HB2 H 1.980 0.020 2
66 8 8 LYS HB3 H 1.702 0.020 2
67 8 8 LYS HD2 H 1.556 0.020 1
68 8 8 LYS HD3 H 1.556 0.020 1
69 8 8 LYS HE2 H 3.265 0.020 1
70 8 8 LYS HE3 H 3.265 0.020 1
71 8 8 LYS HG2 H 1.471 0.020 1
72 8 8 LYS HG3 H 1.471 0.020 1
73 8 8 LYS CA C 54.795 0.300 1
74 8 8 LYS CB C 36.867 0.300 1
75 8 8 LYS CD C 28.902 0.300 1
76 8 8 LYS CE C 43.057 0.300 1
77 8 8 LYS CG C 24.456 0.300 1
78 8 8 LYS N N 124.794 0.300 1
79 9 9 THR H H 8.824 0.020 1
80 9 9 THR HA H 3.596 0.020 1
81 9 9 THR HB H 3.883 0.020 1
82 9 9 THR HG2 H 1.068 0.020 1
83 9 9 THR CA C 63.908 0.300 1
84 9 9 THR CB C 68.403 0.300 1
85 9 9 THR CG2 C 21.254 0.300 1
86 9 9 THR N N 120.055 0.300 1
87 10 10 SER H H 8.595 0.020 1
88 10 10 SER HA H 4.602 0.020 1
89 10 10 SER HB2 H 3.954 0.020 2
90 10 10 SER HB3 H 3.463 0.020 2
91 10 10 SER CA C 58.399 0.300 1
92 10 10 SER CB C 63.742 0.300 1
93 10 10 SER N N 120.150 0.300 1
94 11 11 LYS H H 10.138 0.020 1
95 11 11 LYS HA H 4.380 0.020 1
96 11 11 LYS HB2 H 1.722 0.020 2
97 11 11 LYS HB3 H 1.765 0.020 2
98 11 11 LYS HD2 H 1.620 0.020 2
99 11 11 LYS HD3 H 1.524 0.020 2
100 11 11 LYS HE2 H 2.980 0.020 1
101 11 11 LYS HE3 H 2.980 0.020 1
102 11 11 LYS HG2 H 1.479 0.020 1
103 11 11 LYS HG3 H 1.479 0.020 1
104 11 11 LYS CA C 56.958 0.300 1
105 11 11 LYS CB C 33.126 0.300 1
106 11 11 LYS CD C 24.686 0.300 1
107 11 11 LYS CE C 41.909 0.300 1
108 11 11 LYS CG C 24.666 0.300 1
109 11 11 LYS N N 130.957 0.300 1
110 12 12 THR H H 8.367 0.020 1
111 12 12 THR HA H 4.353 0.020 1
112 12 12 THR HB H 3.997 0.020 1
113 12 12 THR HG2 H 1.151 0.020 1
114 12 12 THR CA C 62.494 0.300 1
115 12 12 THR CB C 70.099 0.300 1
116 12 12 THR CG2 C 22.003 0.300 1
117 12 12 THR N N 108.146 0.300 1
118 13 13 TYR H H 8.104 0.020 1
119 13 13 TYR HA H 3.782 0.020 1
120 13 13 TYR HB2 H 2.998 0.020 2
121 13 13 TYR HB3 H 2.803 0.020 2
122 13 13 TYR HD1 H 6.848 0.020 1
123 13 13 TYR HD2 H 6.848 0.020 1
124 13 13 TYR HE1 H 6.390 0.020 1
125 13 13 TYR HE2 H 6.390 0.020 1
126 13 13 TYR CA C 60.140 0.300 1
127 13 13 TYR CB C 38.305 0.300 1
128 13 13 TYR CD1 C 131.058 0.300 1
129 13 13 TYR N N 125.623 0.300 1
130 14 14 SER H H 7.451 0.020 1
131 14 14 SER HA H 4.671 0.020 1
132 14 14 SER HB2 H 3.573 0.020 2
133 14 14 SER HB3 H 3.628 0.020 2
134 14 14 SER CA C 56.830 0.300 1
135 14 14 SER CB C 65.287 0.300 1
136 14 14 SER N N 122.438 0.300 1
137 15 15 GLY H H 8.427 0.020 1
138 15 15 GLY HA2 H 4.197 0.020 2
139 15 15 GLY HA3 H 3.716 0.020 2
140 15 15 GLY CA C 43.379 0.300 1
141 15 15 GLY N N 109.819 0.300 1
142 16 16 LYS H H 8.446 0.020 1
143 16 16 LYS HA H 4.155 0.020 1
144 16 16 LYS HB2 H 1.814 0.020 2
145 16 16 LYS HB3 H 1.750 0.020 2
146 16 16 LYS HE2 H 3.053 0.020 1
147 16 16 LYS HE3 H 3.053 0.020 1
148 16 16 LYS HG2 H 1.489 0.020 2
149 16 16 LYS HG3 H 1.388 0.020 2
150 16 16 LYS CA C 56.911 0.300 1
151 16 16 LYS CB C 32.077 0.300 1
152 16 16 LYS CE C 41.854 0.300 1
153 16 16 LYS CG C 24.644 0.300 1
154 16 16 LYS N N 120.128 0.300 1
155 17 17 CYS HA H 4.060 0.020 1
156 17 17 CYS HB2 H 2.850 0.020 2
157 17 17 CYS HB3 H 2.710 0.020 2
158 17 17 CYS CA C 62.022 0.300 1
159 17 17 CYS CB C 39.436 0.300 1
160 18 18 ASP H H 7.400 0.020 1
161 18 18 ASP HA H 4.926 0.020 1
162 18 18 ASP HB2 H 2.726 0.020 2
163 18 18 ASP HB3 H 2.597 0.020 2
164 18 18 ASP CA C 52.678 0.300 1
165 18 18 ASP CB C 45.472 0.300 1
166 18 18 ASP N N 131.327 0.300 1
167 19 19 ASN H H 9.396 0.020 1
168 19 19 ASN HA H 4.253 0.020 1
169 19 19 ASN HB2 H 2.869 0.020 2
170 19 19 ASN HB3 H 2.787 0.020 2
171 19 19 ASN HD21 H 7.561 0.020 2
172 19 19 ASN HD22 H 7.077 0.020 2
173 19 19 ASN CA C 57.973 0.300 1
174 19 19 ASN CB C 38.280 0.300 1
175 19 19 ASN N N 127.621 0.300 1
176 19 19 ASN ND2 N 113.016 0.300 1
177 20 20 LYS H H 8.235 0.020 1
178 20 20 LYS HA H 4.224 0.020 1
179 20 20 LYS HB2 H 1.988 0.020 2
180 20 20 LYS HB3 H 1.917 0.020 2
181 20 20 LYS HD2 H 1.780 0.020 1
182 20 20 LYS HD3 H 1.780 0.020 1
183 20 20 LYS HE2 H 2.820 0.020 2
184 20 20 LYS HE3 H 2.455 0.020 2
185 20 20 LYS HG2 H 1.630 0.020 2
186 20 20 LYS HG3 H 1.495 0.020 2
187 20 20 LYS CA C 59.362 0.300 1
188 20 20 LYS CB C 31.743 0.300 1
189 20 20 LYS CD C 28.956 0.300 1
190 20 20 LYS CE C 42.150 0.300 1
191 20 20 LYS CG C 24.991 0.300 1
192 20 20 LYS N N 119.126 0.300 1
193 21 21 LYS H H 8.386 0.020 1
194 21 21 LYS HA H 4.111 0.020 1
195 21 21 LYS HB2 H 2.192 0.020 2
196 21 21 LYS HB3 H 2.152 0.020 2
197 21 21 LYS HD2 H 1.826 0.020 1
198 21 21 LYS HD3 H 1.826 0.020 1
199 21 21 LYS HE2 H 3.001 0.020 1
200 21 21 LYS HE3 H 3.001 0.020 1
201 21 21 LYS HG2 H 1.734 0.020 2
202 21 21 LYS HG3 H 1.518 0.020 2
203 21 21 LYS CA C 59.657 0.300 1
204 21 21 LYS CB C 33.192 0.300 1
205 21 21 LYS CD C 29.048 0.300 1
206 21 21 LYS CE C 41.896 0.300 1
207 21 21 LYS CG C 25.929 0.300 1
208 21 21 LYS N N 120.331 0.300 1
209 22 22 CYS H H 8.986 0.020 1
210 22 22 CYS HA H 4.340 0.020 1
211 22 22 CYS HB2 H 2.554 0.020 1
212 22 22 CYS HB3 H 2.554 0.020 1
213 22 22 CYS CA C 57.827 0.300 1
214 22 22 CYS CB C 35.944 0.300 1
215 22 22 CYS N N 119.700 0.300 1
216 23 23 ASP H H 8.259 0.020 1
217 23 23 ASP HA H 4.024 0.020 1
218 23 23 ASP HB2 H 3.100 0.020 2
219 23 23 ASP HB3 H 2.756 0.020 2
220 23 23 ASP CA C 58.126 0.300 1
221 23 23 ASP CB C 42.484 0.300 1
222 23 23 ASP N N 119.955 0.300 1
223 24 24 LYS H H 7.734 0.020 1
224 24 24 LYS HA H 3.993 0.020 1
225 24 24 LYS HB2 H 1.985 0.020 2
226 24 24 LYS HB3 H 1.902 0.020 2
227 24 24 LYS HD2 H 1.711 0.020 1
228 24 24 LYS HD3 H 1.711 0.020 1
229 24 24 LYS HE2 H 2.760 0.020 2
230 24 24 LYS HE3 H 3.121 0.020 2
231 24 24 LYS HG2 H 1.584 0.020 2
232 24 24 LYS HG3 H 1.466 0.020 2
233 24 24 LYS CA C 59.357 0.300 1
234 24 24 LYS CB C 32.798 0.300 1
235 24 24 LYS CD C 29.146 0.300 1
236 24 24 LYS CE C 41.861 0.300 1
237 24 24 LYS CG C 24.678 0.300 1
238 24 24 LYS N N 115.067 0.300 1
239 25 25 LYS H H 8.236 0.020 1
240 25 25 LYS HA H 4.157 0.020 1
241 25 25 LYS HB2 H 2.148 0.020 2
242 25 25 LYS HB3 H 1.977 0.020 2
243 25 25 LYS HG2 H 1.382 0.020 2
244 25 25 LYS HG3 H 1.279 0.020 2
245 25 25 LYS CA C 59.357 0.300 1
246 25 25 LYS CB C 31.865 0.300 1
247 25 25 LYS CG C 24.842 0.300 1
248 25 25 LYS N N 119.134 0.300 1
249 26 26 CYS H H 8.704 0.020 1
250 26 26 CYS HA H 4.198 0.020 1
251 26 26 CYS HB2 H 2.819 0.020 2
252 26 26 CYS HB3 H 2.444 0.020 2
253 26 26 CYS CA C 59.068 0.300 1
254 26 26 CYS CB C 36.215 0.300 1
255 26 26 CYS N N 116.774 0.300 1
256 27 27 ILE H H 8.189 0.020 1
257 27 27 ILE HA H 3.846 0.020 1
258 27 27 ILE HB H 1.696 0.020 1
259 27 27 ILE HD1 H 0.861 0.020 1
260 27 27 ILE HG12 H 1.428 0.020 1
261 27 27 ILE HG13 H 1.428 0.020 1
262 27 27 ILE HG2 H 0.695 0.020 1
263 27 27 ILE CA C 64.700 0.300 1
264 27 27 ILE CB C 39.381 0.300 1
265 27 27 ILE CD1 C 16.549 0.300 1
266 27 27 ILE CG1 C 28.346 0.300 1
267 27 27 ILE CG2 C 16.550 0.300 1
268 27 27 ILE N N 120.041 0.300 1
269 28 28 GLU H H 8.945 0.020 1
270 28 28 GLU HA H 4.072 0.020 1
271 28 28 GLU HB2 H 2.196 0.020 2
272 28 28 GLU HB3 H 1.876 0.020 2
273 28 28 GLU HG2 H 2.475 0.020 2
274 28 28 GLU HG3 H 2.098 0.020 2
275 28 28 GLU CA C 59.064 0.300 1
276 28 28 GLU CB C 29.712 0.300 1
277 28 28 GLU CG C 36.868 0.300 1
278 28 28 GLU N N 117.196 0.300 1
279 29 29 TRP H H 8.809 0.020 1
280 29 29 TRP HA H 4.867 0.020 1
281 29 29 TRP HB2 H 3.666 0.020 2
282 29 29 TRP HB3 H 3.394 0.020 2
283 29 29 TRP HD1 H 7.363 0.020 1
284 29 29 TRP HE1 H 10.209 0.020 1
285 29 29 TRP HE3 H 7.802 0.020 1
286 29 29 TRP HH2 H 7.273 0.020 1
287 29 29 TRP HZ2 H 7.547 0.020 1
288 29 29 TRP HZ3 H 7.206 0.020 1
289 29 29 TRP CA C 58.107 0.300 1
290 29 29 TRP CB C 29.956 0.300 1
291 29 29 TRP CD1 C 125.941 0.300 1
292 29 29 TRP CE3 C 120.778 0.300 1
293 29 29 TRP CH2 C 124.883 0.300 1
294 29 29 TRP CZ2 C 114.650 0.300 1
295 29 29 TRP CZ3 C 122.014 0.300 1
296 29 29 TRP N N 115.707 0.300 1
297 29 29 TRP NE1 N 129.065 0.300 1
298 30 30 GLU H H 7.260 0.020 1
299 30 30 GLU HA H 4.834 0.020 1
300 30 30 GLU HB2 H 2.776 0.020 2
301 30 30 GLU HB3 H 2.611 0.020 2
302 30 30 GLU HG2 H 2.460 0.020 2
303 30 30 GLU HG3 H 2.322 0.020 2
304 30 30 GLU CA C 55.852 0.300 1
305 30 30 GLU CB C 29.684 0.300 1
306 30 30 GLU CG C 38.739 0.300 1
307 30 30 GLU N N 116.368 0.300 1
308 31 31 LYS H H 7.567 0.020 1
309 31 31 LYS HA H 4.217 0.020 1
310 31 31 LYS HB2 H 2.115 0.020 2
311 31 31 LYS HB3 H 2.077 0.020 2
312 31 31 LYS HD2 H 2.140 0.020 2
313 31 31 LYS HD3 H 2.230 0.020 2
314 31 31 LYS HE2 H 3.053 0.020 1
315 31 31 LYS HE3 H 3.053 0.020 1
316 31 31 LYS HG2 H 1.450 0.020 2
317 31 31 LYS HG3 H 1.390 0.020 2
318 31 31 LYS CA C 56.866 0.300 1
319 31 31 LYS CB C 28.163 0.300 1
320 31 31 LYS CD C 28.266 0.300 1
321 31 31 LYS CE C 41.865 0.300 1
322 31 31 LYS CG C 24.545 0.300 1
323 31 31 LYS N N 112.565 0.300 1
324 32 32 ALA H H 7.986 0.020 1
325 32 32 ALA HA H 4.137 0.020 1
326 32 32 ALA HB H 0.681 0.020 1
327 32 32 ALA CA C 50.287 0.300 1
328 32 32 ALA CB C 20.635 0.300 1
329 32 32 ALA N N 120.768 0.300 1
330 33 33 GLN H H 8.473 0.020 1
331 33 33 GLN HA H 4.163 0.020 1
332 33 33 GLN HB2 H 1.900 0.020 2
333 33 33 GLN HB3 H 1.797 0.020 2
334 33 33 GLN HE21 H 7.581 0.020 1
335 33 33 GLN HE22 H 6.891 0.020 1
336 33 33 GLN HG2 H 2.409 0.020 1
337 33 33 GLN HG3 H 2.409 0.020 1
338 33 33 GLN CA C 57.156 0.300 1
339 33 33 GLN CB C 29.992 0.300 1
340 33 33 GLN CG C 34.358 0.300 1
341 33 33 GLN N N 115.050 0.300 1
342 33 33 GLN NE2 N 111.738 0.300 1
343 34 34 HIS H H 7.433 0.020 1
344 34 34 HIS HA H 5.034 0.020 1
345 34 34 HIS HB2 H 3.249 0.020 1
346 34 34 HIS HB3 H 3.070 0.020 1
347 34 34 HIS CA C 54.382 0.300 1
348 34 34 HIS CB C 34.051 0.300 1
349 34 34 HIS N N 110.414 0.300 1
350 35 35 GLY H H 9.976 0.020 1
351 35 35 GLY HA2 H 4.057 0.020 2
352 35 35 GLY HA3 H 3.804 0.020 2
353 35 35 GLY CA C 45.314 0.300 1
354 35 35 GLY N N 111.215 0.300 1
355 36 36 ALA H H 9.492 0.020 1
356 36 36 ALA HA H 4.381 0.020 1
357 36 36 ALA HB H 1.367 0.020 1
358 36 36 ALA CA C 52.144 0.300 1
359 36 36 ALA CB C 23.421 0.300 1
360 36 36 ALA N N 122.051 0.300 1
361 37 37 CYS H H 8.443 0.020 1
362 37 37 CYS HA H 5.366 0.020 1
363 37 37 CYS HB2 H 2.823 0.020 2
364 37 37 CYS HB3 H 2.766 0.020 2
365 37 37 CYS CA C 53.836 0.300 1
366 37 37 CYS CB C 42.465 0.300 1
367 37 37 CYS N N 118.471 0.300 1
368 38 38 HIS H H 9.118 0.020 1
369 38 38 HIS HA H 5.078 0.020 1
370 38 38 HIS HB2 H 3.029 0.020 2
371 38 38 HIS HB3 H 2.910 0.020 2
372 38 38 HIS CA C 55.308 0.300 1
373 38 38 HIS CB C 33.458 0.300 1
374 38 38 HIS N N 117.191 0.300 1
375 39 39 LYS H H 8.943 0.020 1
376 39 39 LYS HA H 4.716 0.020 1
377 39 39 LYS HB2 H 1.825 0.020 2
378 39 39 LYS HB3 H 1.716 0.020 2
379 39 39 LYS HE2 H 3.522 0.020 2
380 39 39 LYS HE3 H 3.438 0.020 2
381 39 39 LYS HG2 H 1.398 0.020 2
382 39 39 LYS HG3 H 1.287 0.020 2
383 39 39 LYS CA C 55.669 0.300 1
384 39 39 LYS CB C 33.093 0.300 1
385 39 39 LYS CE C 41.891 0.300 1
386 39 39 LYS CG C 24.733 0.300 1
387 39 39 LYS N N 123.515 0.300 1
388 40 40 ARG H H 8.581 0.020 1
389 40 40 ARG HA H 4.595 0.020 1
390 40 40 ARG HB2 H 1.895 0.020 1
391 40 40 ARG HB3 H 1.895 0.020 1
392 40 40 ARG HD2 H 2.697 0.020 1
393 40 40 ARG HD3 H 2.697 0.020 1
394 40 40 ARG HG2 H 1.741 0.020 1
395 40 40 ARG HG3 H 1.741 0.020 1
396 40 40 ARG CA C 54.053 0.300 1
397 40 40 ARG CB C 30.420 0.300 1
398 40 40 ARG CD C 40.949 0.300 1
399 40 40 ARG CG C 26.502 0.300 1
400 40 40 ARG N N 125.405 0.300 1
401 41 41 GLU H H 8.658 0.020 1
402 41 41 GLU HA H 4.212 0.020 1
403 41 41 GLU HB2 H 2.102 0.020 2
404 41 41 GLU HB3 H 2.064 0.020 2
405 41 41 GLU HG2 H 2.320 0.020 1
406 41 41 GLU HG3 H 2.320 0.020 1
407 41 41 GLU CA C 57.180 0.300 1
408 41 41 GLU CB C 29.675 0.300 1
409 41 41 GLU CG C 36.126 0.300 1
410 41 41 GLU N N 121.637 0.300 1
411 42 42 ALA H H 8.681 0.020 1
412 42 42 ALA HA H 4.193 0.020 1
413 42 42 ALA HB H 1.475 0.020 1
414 42 42 ALA CA C 52.602 0.300 1
415 42 42 ALA CB C 17.838 0.300 1
416 42 42 ALA N N 122.801 0.300 1
417 43 43 GLY H H 8.350 0.020 1
418 43 43 GLY HA2 H 4.054 0.020 2
419 43 43 GLY HA3 H 3.806 0.020 2
420 43 43 GLY CA C 45.332 0.300 1
421 43 43 GLY N N 106.447 0.300 1
422 44 44 LYS H H 7.754 0.020 1
423 44 44 LYS HA H 4.453 0.020 1
424 44 44 LYS HB2 H 1.849 0.020 2
425 44 44 LYS HB3 H 1.768 0.020 2
426 44 44 LYS HD2 H 1.689 0.020 1
427 44 44 LYS HD3 H 1.689 0.020 1
428 44 44 LYS HE2 H 2.998 0.020 1
429 44 44 LYS HE3 H 2.998 0.020 1
430 44 44 LYS HG2 H 1.453 0.020 2
431 44 44 LYS HG3 H 1.381 0.020 2
432 44 44 LYS CA C 55.444 0.300 1
433 44 44 LYS CB C 33.681 0.300 1
434 44 44 LYS CD C 29.025 0.300 1
435 44 44 LYS CE C 41.928 0.300 1
436 44 44 LYS CG C 24.653 0.300 1
437 44 44 LYS N N 119.520 0.300 1
438 45 45 GLU H H 8.950 0.020 1
439 45 45 GLU HA H 4.786 0.020 1
440 45 45 GLU HB2 H 1.986 0.020 2
441 45 45 GLU HB3 H 1.921 0.020 2
442 45 45 GLU HG2 H 2.850 0.020 2
443 45 45 GLU HG3 H 2.649 0.020 2
444 45 45 GLU CA C 55.773 0.300 1
445 45 45 GLU CB C 31.421 0.300 1
446 45 45 GLU CG C 40.948 0.300 1
447 45 45 GLU N N 125.444 0.300 1
448 46 46 SER H H 8.567 0.020 1
449 46 46 SER HA H 4.727 0.020 1
450 46 46 SER HB2 H 3.522 0.020 2
451 46 46 SER HB3 H 3.431 0.020 2
452 46 46 SER CA C 56.911 0.300 1
453 46 46 SER CB C 65.616 0.300 1
454 46 46 SER N N 119.522 0.300 1
455 47 47 CYS H H 9.044 0.020 1
456 47 47 CYS HA H 4.488 0.020 1
457 47 47 CYS HB2 H 2.133 0.020 2
458 47 47 CYS HB3 H 1.991 0.020 2
459 47 47 CYS CA C 54.538 0.300 1
460 47 47 CYS CB C 35.634 0.300 1
461 47 47 CYS N N 120.774 0.300 1
462 48 48 PHE H H 9.014 0.020 1
463 48 48 PHE HA H 4.519 0.020 1
464 48 48 PHE HB2 H 3.132 0.020 2
465 48 48 PHE HB3 H 2.423 0.020 2
466 48 48 PHE HD1 H 6.792 0.020 1
467 48 48 PHE HD2 H 6.792 0.020 1
468 48 48 PHE HE1 H 6.770 0.020 1
469 48 48 PHE HE2 H 6.770 0.020 1
470 48 48 PHE HZ H 6.771 0.020 1
471 48 48 PHE CA C 57.497 0.300 1
472 48 48 PHE CB C 41.544 0.300 1
473 48 48 PHE CD1 C 131.948 0.300 1
474 48 48 PHE CZ C 131.511 0.300 1
475 48 48 PHE N N 129.231 0.300 1
476 49 49 CYS H H 8.848 0.020 1
477 49 49 CYS HA H 5.373 0.020 1
478 49 49 CYS HB2 H 2.851 0.020 2
479 49 49 CYS HB3 H 2.581 0.020 2
480 49 49 CYS CA C 50.616 0.300 1
481 49 49 CYS CB C 37.430 0.300 1
482 49 49 CYS N N 115.520 0.300 1
483 50 50 TYR H H 8.364 0.020 1
484 50 50 TYR HA H 5.142 0.020 1
485 50 50 TYR HB2 H 2.697 0.020 2
486 50 50 TYR HB3 H 2.273 0.020 2
487 50 50 TYR HD1 H 6.390 0.020 1
488 50 50 TYR HD2 H 6.390 0.020 1
489 50 50 TYR HE1 H 6.627 0.020 1
490 50 50 TYR HE2 H 6.627 0.020 1
491 50 50 TYR CA C 57.319 0.300 1
492 50 50 TYR CB C 40.772 0.300 1
493 50 50 TYR N N 117.308 0.300 1
494 51 51 PHE H H 9.116 0.020 1
495 51 51 PHE HA H 4.885 0.020 1
496 51 51 PHE HB2 H 3.269 0.020 2
497 51 51 PHE HB3 H 2.642 0.020 2
498 51 51 PHE HD1 H 7.242 0.020 1
499 51 51 PHE HD2 H 7.242 0.020 1
500 51 51 PHE HE1 H 7.409 0.020 1
501 51 51 PHE HE2 H 7.409 0.020 1
502 51 51 PHE CA C 55.852 0.300 1
503 51 51 PHE CB C 43.114 0.300 1
504 51 51 PHE N N 120.779 0.300 1
505 52 52 ASP H H 9.235 0.020 1
506 52 52 ASP HA H 4.788 0.020 1
507 52 52 ASP HB2 H 2.856 0.020 2
508 52 52 ASP HB3 H 2.659 0.020 2
509 52 52 ASP CA C 55.200 0.300 1
510 52 52 ASP CB C 41.017 0.300 1
511 52 52 ASP N N 122.713 0.300 1
512 53 53 CYS H H 9.144 0.020 1
513 53 53 CYS HA H 4.614 0.020 1
514 53 53 CYS HB2 H 3.225 0.020 2
515 53 53 CYS HB3 H 3.054 0.020 2
516 53 53 CYS CA C 56.963 0.300 1
517 53 53 CYS CB C 42.149 0.300 1
518 53 53 CYS N N 126.032 0.300 1
519 54 54 SER H H 8.872 0.020 1
520 54 54 SER HA H 4.377 0.020 1
521 54 54 SER HB2 H 3.963 0.020 1
522 54 54 SER HB3 H 3.963 0.020 1
523 54 54 SER CA C 59.778 0.300 1
524 54 54 SER CB C 63.357 0.300 1
525 54 54 SER N N 115.829 0.300 1
526 55 55 LYS H H 8.039 0.020 1
527 55 55 LYS HA H 4.531 0.020 1
528 55 55 LYS HB2 H 1.989 0.020 2
529 55 55 LYS HB3 H 1.745 0.020 2
530 55 55 LYS HD2 H 1.462 0.020 1
531 55 55 LYS HD3 H 1.462 0.020 1
532 55 55 LYS HE2 H 3.024 0.020 1
533 55 55 LYS HE3 H 3.024 0.020 1
534 55 55 LYS HG2 H 1.408 0.020 1
535 55 55 LYS HG3 H 1.408 0.020 1
536 55 55 LYS CA C 55.296 0.300 1
537 55 55 LYS CB C 32.923 0.300 1
538 55 55 LYS CD C 28.946 0.300 1
539 55 55 LYS CE C 42.010 0.300 1
540 55 55 LYS CG C 24.153 0.300 1
541 55 55 LYS N N 122.478 0.300 1
542 56 56 SER H H 8.006 0.020 1
543 56 56 SER HA H 4.537 0.020 1
544 56 56 SER HB2 H 3.796 0.020 2
545 56 56 SER HB3 H 3.668 0.020 2
546 56 56 SER CA C 56.356 0.300 1
547 56 56 SER CB C 63.434 0.300 1
548 56 56 SER N N 117.425 0.300 1
549 57 57 PRO HA H 4.484 0.020 1
550 57 57 PRO HB2 H 2.306 0.020 2
551 57 57 PRO HB3 H 1.921 0.020 2
552 57 57 PRO HD2 H 3.822 0.020 2
553 57 57 PRO HD3 H 3.654 0.020 2
554 57 57 PRO HG2 H 2.038 0.020 1
555 57 57 PRO HG3 H 2.038 0.020 1
556 57 57 PRO CA C 63.115 0.300 1
557 57 57 PRO CB C 31.951 0.300 1
558 57 57 PRO CD C 50.336 0.300 1
559 57 57 PRO CG C 27.134 0.300 1
560 57 57 PRO N N 137.498 0.300 1
561 58 58 PRO HA H 4.384 0.020 1
562 58 58 PRO HB2 H 2.292 0.020 2
563 58 58 PRO HB3 H 1.884 0.020 2
564 58 58 PRO HD2 H 3.813 0.020 2
565 58 58 PRO HD3 H 3.612 0.020 2
566 58 58 PRO HG2 H 2.040 0.020 1
567 58 58 PRO HG3 H 2.040 0.020 1
568 58 58 PRO CA C 62.804 0.300 1
569 58 58 PRO CB C 31.851 0.300 1
570 58 58 PRO CD C 50.308 0.300 1
571 58 58 PRO CG C 27.176 0.300 1
572 58 58 PRO N N 135.513 0.300 1
573 59 59 GLY H H 8.604 0.020 1
574 59 59 GLY HA2 H 4.026 0.020 2
575 59 59 GLY HA3 H 3.845 0.020 2
576 59 59 GLY CA C 44.975 0.300 1
577 59 59 GLY N N 109.712 0.300 1
578 60 60 ALA H H 7.837 0.020 1
579 60 60 ALA HA H 4.283 0.020 1
580 60 60 ALA HB H 1.303 0.020 1
581 60 60 ALA CA C 52.306 0.300 1
582 60 60 ALA CB C 19.053 0.300 1
583 60 60 ALA N N 122.853 0.300 1
584 61 61 THR H H 7.959 0.020 1
585 61 61 THR HA H 4.439 0.020 1
586 61 61 THR HB H 4.040 0.020 1
587 61 61 THR HG2 H 1.174 0.020 1
588 61 61 THR CA C 60.067 0.300 1
589 61 61 THR CB C 70.361 0.300 1
590 61 61 THR CG2 C 21.883 0.300 1
591 61 61 THR N N 113.197 0.300 1
592 62 62 PRO HA H 4.563 0.020 1
593 62 62 PRO HB2 H 1.916 0.020 2
594 62 62 PRO HB3 H 2.344 0.020 2
595 62 62 PRO HD2 H 3.904 0.020 2
596 62 62 PRO HD3 H 3.717 0.020 2
597 62 62 PRO HG2 H 2.012 0.020 1
598 62 62 PRO HG3 H 2.012 0.020 1
599 62 62 PRO CA C 63.344 0.300 1
600 62 62 PRO CB C 31.866 0.300 1
601 62 62 PRO CD C 50.732 0.300 1
602 62 62 PRO CG C 27.152 0.300 1
603 62 62 PRO N N 138.281 0.300 1
604 63 63 ALA H H 8.584 0.020 1
605 63 63 ALA HA H 4.513 0.020 1
606 63 63 ALA HB H 1.326 0.020 1
607 63 63 ALA CA C 49.999 0.300 1
608 63 63 ALA CB C 17.867 0.300 1
609 63 63 ALA N N 126.922 0.300 1
610 64 64 PRO HA H 4.712 0.020 1
611 64 64 PRO HB2 H 1.910 0.020 2
612 64 64 PRO HB3 H 2.348 0.020 2
613 64 64 PRO HD2 H 3.838 0.020 2
614 64 64 PRO HD3 H 3.633 0.020 2
615 64 64 PRO HG2 H 2.051 0.020 1
616 64 64 PRO HG3 H 2.051 0.020 1
617 64 64 PRO CA C 60.818 0.300 1
618 64 64 PRO CB C 30.433 0.300 1
619 64 64 PRO CD C 50.239 0.300 1
620 64 64 PRO CG C 27.199 0.300 1
621 64 64 PRO N N 136.999 0.300 1
622 65 65 PRO HA H 4.386 0.020 1
623 65 65 PRO HB2 H 2.297 0.020 2
624 65 65 PRO HB3 H 1.913 0.020 2
625 65 65 PRO HD2 H 3.820 0.020 2
626 65 65 PRO HD3 H 3.627 0.020 2
627 65 65 PRO HG2 H 2.030 0.020 1
628 65 65 PRO HG3 H 2.030 0.020 1
629 65 65 PRO CA C 62.920 0.300 1
630 65 65 PRO CB C 31.850 0.300 1
631 65 65 PRO CD C 50.135 0.300 1
632 65 65 PRO CG C 26.982 0.300 1
633 65 65 PRO N N 135.390 0.300 1
634 66 66 GLY H H 8.458 0.020 1
635 66 66 GLY HA2 H 3.910 0.020 2
636 66 66 GLY HA3 H 3.922 0.020 2
637 66 66 GLY CA C 44.840 0.300 1
638 66 66 GLY N N 109.185 0.300 1
639 67 67 ALA H H 7.883 0.020 1
640 67 67 ALA HA H 4.195 0.020 1
641 67 67 ALA HB H 1.275 0.020 1
642 67 67 ALA CA C 52.221 0.300 1
643 67 67 ALA CB C 19.358 0.300 1
644 67 67 ALA N N 123.030 0.300 1
645 68 68 ALA H H 8.121 0.020 1
646 68 68 ALA HA H 4.272 0.020 1
647 68 68 ALA HB H 1.150 0.020 1
648 68 68 ALA CA C 49.915 0.300 1
649 68 68 ALA CB C 17.854 0.300 1
650 68 68 ALA N N 123.321 0.300 1
651 69 69 PRO HA H 4.706 0.020 1
652 69 69 PRO HB2 H 2.349 0.020 2
653 69 69 PRO HB3 H 1.913 0.020 2
654 69 69 PRO HD2 H 3.609 0.020 2
655 69 69 PRO HD3 H 3.831 0.020 2
656 69 69 PRO HG2 H 2.048 0.020 1
657 69 69 PRO HG3 H 2.048 0.020 1
658 69 69 PRO CA C 61.201 0.300 1
659 69 69 PRO CB C 30.451 0.300 1
660 69 69 PRO CD C 50.248 0.300 1
661 69 69 PRO CG C 27.090 0.300 1
662 69 69 PRO N N 136.133 0.300 1
663 70 70 PRO HA H 4.702 0.020 1
664 70 70 PRO HB2 H 1.924 0.020 2
665 70 70 PRO HB3 H 2.347 0.020 2
666 70 70 PRO HD2 H 3.639 0.020 2
667 70 70 PRO HD3 H 3.831 0.020 2
668 70 70 PRO HG2 H 2.050 0.020 1
669 70 70 PRO HG3 H 2.050 0.020 1
670 70 70 PRO CA C 61.201 0.300 1
671 70 70 PRO CB C 30.467 0.300 1
672 70 70 PRO CD C 50.196 0.300 1
673 70 70 PRO CG C 27.112 0.300 1
674 71 71 PRO HA H 4.376 0.020 1
675 71 71 PRO HB2 H 2.300 0.020 2
676 71 71 PRO HB3 H 1.913 0.020 2
677 71 71 PRO HD2 H 3.815 0.020 2
678 71 71 PRO HD3 H 3.629 0.020 2
679 71 71 PRO HG2 H 2.030 0.020 1
680 71 71 PRO HG3 H 2.030 0.020 1
681 71 71 PRO CA C 63.098 0.300 1
682 71 71 PRO CB C 31.843 0.300 1
683 71 71 PRO CD C 50.159 0.300 1
684 71 71 PRO CG C 27.107 0.300 1
685 71 71 PRO N N 134.869 0.300 1
686 72 72 ALA H H 8.492 0.020 1
687 72 72 ALA HA H 4.279 0.020 1
688 72 72 ALA HB H 1.388 0.020 1
689 72 72 ALA CA C 52.184 0.300 1
690 72 72 ALA CB C 18.826 0.300 1
691 72 72 ALA N N 124.580 0.300 1
692 73 73 ALA H H 8.343 0.020 1
693 73 73 ALA HA H 4.281 0.020 1
694 73 73 ALA HB H 1.376 0.020 1
695 73 73 ALA CA C 52.401 0.300 1
696 73 73 ALA CB C 18.836 0.300 1
697 73 73 ALA N N 123.311 0.300 1
698 74 74 GLY H H 8.401 0.020 1
699 74 74 GLY HA2 H 3.974 0.020 1
700 74 74 GLY HA3 H 3.974 0.020 1
701 74 74 GLY CA C 45.123 0.300 1
702 74 74 GLY N N 108.669 0.300 1
703 75 75 GLY H H 8.241 0.020 1
704 75 75 GLY HA2 H 3.980 0.020 1
705 75 75 GLY HA3 H 3.980 0.020 1
706 75 75 GLY CA C 44.890 0.300 1
707 75 75 GLY N N 108.352 0.300 1
708 76 76 SER H H 8.262 0.020 1
709 76 76 SER HA H 4.795 0.020 1
710 76 76 SER HB2 H 3.895 0.020 1
711 76 76 SER HB3 H 3.895 0.020 1
712 76 76 SER CA C 56.015 0.300 1
713 76 76 SER CB C 63.055 0.300 1
714 76 76 SER N N 116.721 0.300 1
715 77 77 PRO HA H 4.480 0.020 1
716 77 77 PRO HB2 H 2.302 0.020 2
717 77 77 PRO HB3 H 1.935 0.020 2
718 77 77 PRO HD2 H 3.829 0.020 2
719 77 77 PRO HD3 H 3.638 0.020 2
720 77 77 PRO HG2 H 2.037 0.020 1
721 77 77 PRO HG3 H 2.037 0.020 1
722 77 77 PRO CA C 62.857 0.300 1
723 77 77 PRO CB C 31.771 0.300 1
724 77 77 PRO CD C 50.186 0.300 1
725 77 77 PRO CG C 27.101 0.300 1
726 77 77 PRO N N 135.128 0.300 1
727 78 78 SER H H 8.429 0.020 1
728 78 78 SER HA H 4.724 0.020 1
729 78 78 SER HB2 H 3.728 0.020 1
730 78 78 SER HB3 H 3.728 0.020 1
731 78 78 SER CA C 56.150 0.300 1
732 78 78 SER CB C 62.857 0.300 1
733 78 78 SER N N 117.896 0.300 1
734 80 80 PRO HA H 4.392 0.020 1
735 80 80 PRO HB2 H 2.303 0.020 2
736 80 80 PRO HB3 H 1.930 0.020 2
737 80 80 PRO HD2 H 3.824 0.020 2
738 80 80 PRO HD3 H 3.617 0.020 2
739 80 80 PRO HG2 H 2.089 0.020 2
740 80 80 PRO HG3 H 2.033 0.020 2
741 80 80 PRO CA C 62.824 0.300 1
742 80 80 PRO CB C 31.840 0.300 1
743 80 80 PRO CD C 50.208 0.300 1
744 80 80 PRO CG C 27.143 0.300 1
745 80 80 PRO N N 135.447 0.300 1
746 81 81 ALA H H 8.367 0.020 1
747 81 81 ALA HA H 4.276 0.020 1
748 81 81 ALA HB H 1.377 0.020 1
749 81 81 ALA CA C 52.282 0.300 1
750 81 81 ALA CB C 19.009 0.300 1
751 81 81 ALA N N 124.184 0.300 1
752 82 82 ASP H H 8.290 0.020 1
753 82 82 ASP HA H 4.599 0.020 1
754 82 82 ASP HB2 H 2.696 0.020 1
755 82 82 ASP HB3 H 2.696 0.020 1
756 82 82 ASP CA C 54.039 0.300 1
757 82 82 ASP CB C 40.996 0.300 1
758 82 82 ASP N N 119.036 0.300 1
759 83 83 GLY H H 8.326 0.020 1
760 83 83 GLY HA2 H 3.970 0.020 1
761 83 83 GLY HA3 H 3.970 0.020 1
762 83 83 GLY CA C 45.153 0.300 1
763 83 83 GLY N N 109.251 0.300 1
764 84 84 GLY H H 8.326 0.020 1
765 84 84 GLY HA2 H 3.886 0.020 1
766 84 84 GLY HA3 H 3.886 0.020 1
767 84 84 GLY CA C 44.885 0.300 1
768 84 84 GLY N N 108.560 0.300 1
769 85 85 SER H H 7.911 0.020 1
770 85 85 SER HA H 4.590 0.020 1
771 85 85 SER HB2 H 3.743 0.020 1
772 85 85 SER HB3 H 3.743 0.020 1
773 85 85 SER CA C 54.874 0.300 1
774 85 85 SER CB C 64.120 0.300 1
775 85 85 SER N N 114.697 0.300 1
776 86 86 PRO HA H 4.707 0.020 1
777 86 86 PRO HB2 H 2.289 0.020 2
778 86 86 PRO HD2 H 3.094 0.020 2
779 86 86 PRO HD3 H 3.238 0.020 2
780 86 86 PRO HG2 H 1.786 0.020 2
781 86 86 PRO HG3 H 1.732 0.020 2
782 86 86 PRO CA C 61.030 0.300 1
783 86 86 PRO CB C 30.435 0.300 1
784 86 86 PRO CD C 49.895 0.300 1
785 86 86 PRO CG C 27.095 0.300 1
786 86 86 PRO N N 138.916 0.300 1
787 87 87 PRO HA H 4.604 0.020 1
788 87 87 PRO HB2 H 2.264 0.020 2
789 87 87 PRO HB3 H 1.769 0.020 2
790 87 87 PRO HD2 H 3.366 0.020 2
791 87 87 PRO HD3 H 3.599 0.020 2
792 87 87 PRO HG2 H 1.923 0.020 1
793 87 87 PRO HG3 H 1.923 0.020 1
794 87 87 PRO CA C 61.007 0.300 1
795 87 87 PRO CB C 30.393 0.300 1
796 87 87 PRO CD C 50.063 0.300 1
797 87 87 PRO CG C 27.048 0.300 1
798 87 87 PRO N N 136.100 0.300 1
799 88 88 PRO HA H 4.734 0.020 1
800 88 88 PRO HD2 H 3.757 0.020 1
801 88 88 PRO CA C 59.609 0.300 1
802 88 88 PRO CD C 50.680 0.300 1
803 88 88 PRO N N 138.980 0.300 1
804 89 89 PRO HA H 4.399 0.020 1
805 89 89 PRO HB2 H 2.303 0.020 2
806 89 89 PRO HB3 H 1.930 0.020 2
807 89 89 PRO HD2 H 3.824 0.020 2
808 89 89 PRO HD3 H 3.635 0.020 2
809 89 89 PRO HG2 H 2.089 0.020 2
810 89 89 PRO HG3 H 2.033 0.020 2
811 89 89 PRO CA C 62.828 0.300 1
812 89 89 PRO CB C 31.840 0.300 1
813 89 89 PRO CD C 50.208 0.300 1
814 89 89 PRO CG C 27.143 0.300 1
815 89 89 PRO N N 135.005 0.300 1
816 90 90 ALA H H 8.469 0.020 1
817 90 90 ALA HA H 4.269 0.020 1
818 90 90 ALA HB H 1.380 0.020 1
819 90 90 ALA CA C 52.299 0.300 1
820 90 90 ALA CB C 19.016 0.300 1
821 90 90 ALA N N 124.572 0.300 1
822 91 91 ASP H H 7.966 0.020 1
823 91 91 ASP HA H 4.468 0.020 1
824 91 91 ASP HB2 H 2.764 0.020 1
825 91 91 ASP HB3 H 2.764 0.020 1
826 91 91 ASP CA C 54.303 0.300 1
827 91 91 ASP CB C 40.854 0.300 1
828 91 91 ASP N N 123.030 0.300 1
829 92 92 GLY H H 8.327 0.020 1
830 92 92 GLY HA2 H 3.966 0.020 1
831 92 92 GLY HA3 H 3.966 0.020 1
832 92 92 GLY CA C 45.225 0.300 1
833 92 92 GLY N N 109.252 0.300 1
834 93 93 GLY H H 8.241 0.020 1
835 93 93 GLY HA2 H 3.992 0.020 1
836 93 93 GLY HA3 H 3.992 0.020 1
837 93 93 GLY CA C 45.015 0.300 1
838 93 93 GLY N N 108.344 0.300 1
839 94 94 SER H H 7.981 0.020 1
840 94 94 SER HA H 4.632 0.020 1
841 94 94 SER HB2 H 3.737 0.020 1
842 94 94 SER HB3 H 3.737 0.020 1
843 94 94 SER CA C 55.326 0.300 1
844 94 94 SER CB C 63.922 0.300 1
845 94 94 SER N N 114.887 0.300 1
846 95 95 PRO HA H 5.021 0.020 1
847 95 95 PRO HB2 H 2.451 0.020 2
848 95 95 PRO HB3 H 2.125 0.020 2
849 95 95 PRO HD2 H 3.600 0.020 2
850 95 95 PRO HD3 H 3.551 0.020 2
851 95 95 PRO HG2 H 1.968 0.020 2
852 95 95 PRO HG3 H 1.880 0.020 2
853 95 95 PRO CA C 61.633 0.300 1
854 95 95 PRO CB C 32.507 0.300 1
855 95 95 PRO CD C 50.214 0.300 1
856 95 95 PRO CG C 24.451 0.300 1
857 95 95 PRO N N 138.465 0.300 1
858 96 96 PRO HA H 4.458 0.020 1
859 96 96 PRO HB2 H 2.306 0.020 2
860 96 96 PRO HB3 H 1.932 0.020 2
861 96 96 PRO HD2 H 3.827 0.020 2
862 96 96 PRO HD3 H 3.650 0.020 2
863 96 96 PRO HG2 H 2.041 0.020 1
864 96 96 PRO HG3 H 2.041 0.020 1
865 96 96 PRO CA C 62.792 0.300 1
866 96 96 PRO CB C 31.705 0.300 1
867 96 96 PRO CD C 50.281 0.300 1
868 96 96 PRO CG C 27.239 0.300 1
869 96 96 PRO N N 135.255 0.300 1
870 97 97 VAL H H 8.287 0.020 1
871 97 97 VAL HA H 4.097 0.020 1
872 97 97 VAL HB H 2.077 0.020 1
873 97 97 VAL HG1 H 0.934 0.020 1
874 97 97 VAL CA C 62.055 0.300 1
875 97 97 VAL CB C 32.521 0.300 1
876 97 97 VAL CG1 C 20.325 0.300 1
877 97 97 VAL N N 119.959 0.300 1
878 98 98 ASP H H 8.418 0.020 1
879 98 98 ASP HA H 4.606 0.020 1
880 98 98 ASP HB2 H 2.703 0.020 1
881 98 98 ASP HB3 H 2.703 0.020 1
882 98 98 ASP CA C 54.040 0.300 1
883 98 98 ASP CB C 40.935 0.300 1
884 98 98 ASP N N 123.531 0.300 1
885 99 99 GLY H H 8.389 0.020 1
886 99 99 GLY HA2 H 3.974 0.020 1
887 99 99 GLY HA3 H 3.974 0.020 1
888 99 99 GLY CA C 45.012 0.300 1
889 99 99 GLY N N 109.812 0.300 1
890 100 100 GLY H H 8.328 0.020 1
891 100 100 GLY HA2 H 3.983 0.020 1
892 100 100 GLY HA3 H 3.983 0.020 1
893 100 100 GLY CA C 44.962 0.300 1
894 100 100 GLY N N 108.545 0.300 1
895 101 101 SER H H 8.203 0.020 1
896 101 101 SER HA H 4.773 0.020 1
897 101 101 SER HB2 H 3.757 0.020 2
898 101 101 SER HB3 H 3.883 0.020 2
899 101 101 SER CA C 56.126 0.300 1
900 101 101 SER CB C 63.155 0.300 1
901 101 101 SER N N 116.775 0.300 1
902 102 102 PRO HA H 4.573 0.020 1
903 103 103 PRO HA H 5.025 0.020 1
904 103 103 PRO HB2 H 2.449 0.020 2
905 103 103 PRO HB3 H 2.129 0.020 2
906 103 103 PRO HD2 H 3.600 0.020 2
907 103 103 PRO HD3 H 3.550 0.020 2
908 103 103 PRO HG2 H 1.968 0.020 2
909 103 103 PRO HG3 H 1.880 0.020 2
910 103 103 PRO CA C 61.847 0.300 1
911 103 103 PRO CB C 32.608 0.300 1
912 103 103 PRO CD C 50.032 0.300 1
913 103 103 PRO CG C 24.534 0.300 1
914 103 103 PRO N N 133.488 0.300 1
915 104 104 PRO HA H 4.658 0.020 1
916 104 104 PRO HB2 H 2.265 0.020 2
917 104 104 PRO HB3 H 1.909 0.020 2
918 104 104 PRO HD2 H 3.776 0.020 2
919 104 104 PRO HD3 H 3.582 0.020 2
920 104 104 PRO HG2 H 2.045 0.020 1
921 104 104 PRO HG3 H 2.045 0.020 1
922 104 104 PRO CA C 61.111 0.300 1
923 104 104 PRO CB C 30.452 0.300 1
924 104 104 PRO CD C 50.143 0.300 1
925 104 104 PRO CG C 27.094 0.300 1
926 104 104 PRO N N 135.404 0.300 1
927 105 105 PRO HA H 4.456 0.020 1
928 105 105 PRO HB2 H 2.296 0.020 2
929 105 105 PRO HB3 H 1.927 0.020 2
930 105 105 PRO HD2 H 3.820 0.020 2
931 105 105 PRO HD3 H 3.630 0.020 2
932 105 105 PRO HG2 H 2.037 0.020 1
933 105 105 PRO HG3 H 2.037 0.020 1
934 105 105 PRO CA C 62.807 0.300 1
935 105 105 PRO CB C 31.623 0.300 1
936 105 105 PRO CD C 50.329 0.300 1
937 105 105 PRO CG C 27.172 0.300 1
938 105 105 PRO N N 134.871 0.300 1
939 106 106 SER H H 8.460 0.020 1
940 106 106 SER HA H 4.504 0.020 1
941 106 106 SER HB2 H 3.907 0.020 1
942 106 106 SER HB3 H 3.907 0.020 1
943 106 106 SER CA C 57.962 0.300 1
944 106 106 SER CB C 63.612 0.300 1
945 106 106 SER N N 115.724 0.300 1
946 107 107 THR H H 8.169 0.020 1
947 107 107 THR HA H 4.354 0.020 1
948 107 107 THR HB H 4.258 0.020 1
949 107 107 THR HG2 H 1.178 0.020 1
950 107 107 THR CA C 61.313 0.300 1
951 107 107 THR CB C 69.465 0.300 1
952 107 107 THR CG2 C 21.334 0.300 1
953 107 107 THR N N 115.310 0.300 1
954 108 108 HIS H H 8.013 0.020 1
955 108 108 HIS HA H 4.476 0.020 1
956 108 108 HIS HB2 H 3.224 0.020 2
957 108 108 HIS HB3 H 3.070 0.020 2
958 108 108 HIS CA C 56.911 0.300 1
959 108 108 HIS CB C 30.155 0.300 1
960 108 108 HIS N N 125.204 0.300 1
stop_
save_