data_17232
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the PlyG catalytic domain
;
_BMRB_accession_number 17232
_BMRB_flat_file_name bmr17232.str
_Entry_type original
_Submission_date 2010-10-01
_Accession_date 2010-10-01
_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 Volkman B. F. .
2 Dias J. S. .
3 Peterson F. C. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 976
"13C chemical shifts" 530
"15N chemical shifts" 183
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-07-25 original author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
17233 PlyG
stop_
_Original_release_date 2012-07-25
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title TBD
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Dias J. S. .
2 Peterson F. C. .
3 Volkman B. F. .
stop_
_Journal_abbreviation 'To be published'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'PlyG (E.C.3.5.1.28)'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
PlyG $PlyG
ZINC $ZN
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_PlyG
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common PlyG
_Molecular_mass 18555.006
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 165
_Mol_residue_sequence
;
MEIQKKLVDPSKYGTKCPYT
MKPKYITVHNTYNDAPAENE
VSYMISNNNEVSFHIAVDDK
KAIQGIPLERNAWACGDGNG
SGNRQSISVEICYSKSGGDR
YYKAEDNAVDVVRQLMSMYN
IPIENVRTHQSWSGKYCPHR
MLAEGRWGAFIQKVKNGNVA
TTSPT
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLU 3 ILE 4 GLN 5 LYS
6 LYS 7 LEU 8 VAL 9 ASP 10 PRO
11 SER 12 LYS 13 TYR 14 GLY 15 THR
16 LYS 17 CYS 18 PRO 19 TYR 20 THR
21 MET 22 LYS 23 PRO 24 LYS 25 TYR
26 ILE 27 THR 28 VAL 29 HIS 30 ASN
31 THR 32 TYR 33 ASN 34 ASP 35 ALA
36 PRO 37 ALA 38 GLU 39 ASN 40 GLU
41 VAL 42 SER 43 TYR 44 MET 45 ILE
46 SER 47 ASN 48 ASN 49 ASN 50 GLU
51 VAL 52 SER 53 PHE 54 HIS 55 ILE
56 ALA 57 VAL 58 ASP 59 ASP 60 LYS
61 LYS 62 ALA 63 ILE 64 GLN 65 GLY
66 ILE 67 PRO 68 LEU 69 GLU 70 ARG
71 ASN 72 ALA 73 TRP 74 ALA 75 CYS
76 GLY 77 ASP 78 GLY 79 ASN 80 GLY
81 SER 82 GLY 83 ASN 84 ARG 85 GLN
86 SER 87 ILE 88 SER 89 VAL 90 GLU
91 ILE 92 CYS 93 TYR 94 SER 95 LYS
96 SER 97 GLY 98 GLY 99 ASP 100 ARG
101 TYR 102 TYR 103 LYS 104 ALA 105 GLU
106 ASP 107 ASN 108 ALA 109 VAL 110 ASP
111 VAL 112 VAL 113 ARG 114 GLN 115 LEU
116 MET 117 SER 118 MET 119 TYR 120 ASN
121 ILE 122 PRO 123 ILE 124 GLU 125 ASN
126 VAL 127 ARG 128 THR 129 HIS 130 GLN
131 SER 132 TRP 133 SER 134 GLY 135 LYS
136 TYR 137 CYS 138 PRO 139 HIS 140 ARG
141 MET 142 LEU 143 ALA 144 GLU 145 GLY
146 ARG 147 TRP 148 GLY 149 ALA 150 PHE
151 ILE 152 GLN 153 LYS 154 VAL 155 LYS
156 ASN 157 GLY 158 ASN 159 VAL 160 ALA
161 THR 162 THR 163 SER 164 PRO 165 THR
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-02-26
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 2L47 "Solution Structure Of The Plyg Catalytic Domain" 100.00 165 100.00 100.00 1.21e-119
GB AAM97149 "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Gamma]" 100.00 233 100.00 100.00 1.82e-119
GB ABA42708 "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Fah]" 100.00 233 100.00 100.00 1.82e-119
GB ABA46392 "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Cherry]" 100.00 233 100.00 100.00 1.82e-119
GB ABA46449 "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Gamma]" 100.00 233 100.00 100.00 1.82e-119
GB ABA46501 "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Gamma]" 100.00 233 100.00 100.00 1.82e-119
REF WP_001982889 "MULTISPECIES: N-acetylmuramoyl-L-alanine amidase [Bacillus cereus group]" 100.00 233 100.00 100.00 1.82e-119
REF YP_338149 "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Cherry]" 100.00 233 100.00 100.00 1.82e-119
REF YP_338200 "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Gamma]" 100.00 233 100.00 100.00 1.82e-119
REF YP_459981 "phage lysin N-acetylmuramoyl-L-alanine amidase [Bacillus phage WBeta]" 100.00 233 100.00 100.00 1.82e-119
REF YP_512326 "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Fah]" 100.00 233 100.00 100.00 1.82e-119
stop_
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "ZN (ZINC ION)"
_BMRB_code .
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic no
_Mol_aromatic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun 9 16:52:42 2009
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN . 2 . ?
stop_
_Mol_thiol_state 'not present'
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$PlyG 'Bacillus phage Gamma' 347962 viruses . Bacillus "phage Gamma"
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
$PlyG 'recombinant technology' . Escherichia coli 'XL1 blue' pBAD18
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '1.0 mM PlyG(1-165) U-15N/13C, 20 mM BisTris'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$PlyG 1 mM '[U-100% 13C; U-100% 15N]'
Bis-Tris 10 mM '[U-99% 2H]'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_Xplor-NIH
_Saveframe_category software
_Name 'X-PLOR NIH'
_Version 2.9.3
loop_
_Vendor
_Address
_Electronic_address
SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_TopSpin
_Saveframe_category software
_Name TOPSPIN
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_nmrPipe
_Saveframe_category software
_Name NMRPipe
_Version 2007
loop_
_Vendor
_Address
_Electronic_address
'Delagio,F. et al.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_XEASY
_Saveframe_category software
_Name XEASY
_Version 1.3
loop_
_Vendor
_Address
_Electronic_address
'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_GARANT
_Saveframe_category software
_Name GARANT
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'C. Bartels' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_Cyana
_Saveframe_category software
_Name CYANA
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
'structural calculation'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 3D_15N-separated_NOESY
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name 3D_13C-separated_NOESY
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_(AROMATIC)_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D_13C-separated_NOESY (AROMATIC)'
_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' 13 . mM
pH 6.0 . pH
pressure 1 . atm
temperature 303 . 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 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
3D_15N-separated_NOESY
3D_13C-separated_NOESY
'3D_13C-separated_NOESY (AROMATIC)'
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 PlyG
_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 MET HA H 4.121 0.02 1
2 1 1 MET HB2 H 1.952 0.02 2
3 1 1 MET HB3 H 2.194 0.02 2
4 1 1 MET HE H 1.891 0.02 1
5 1 1 MET HG2 H 2.494 0.02 2
6 1 1 MET HG3 H 2.367 0.02 2
7 1 1 MET CA C 54.905 0.1 1
8 1 1 MET CB C 33.155 0.1 1
9 1 1 MET CE C 16.746 0.1 1
10 1 1 MET CG C 30.700 0.1 1
11 2 2 GLU H H 8.820 0.02 1
12 2 2 GLU HA H 4.427 0.001 1
13 2 2 GLU HB2 H 2.013 0.02 2
14 2 2 GLU HB3 H 2.013 0.02 2
15 2 2 GLU HG2 H 2.286 0.02 2
16 2 2 GLU HG3 H 2.167 0.02 2
17 2 2 GLU CA C 56.301 0.003 1
18 2 2 GLU CB C 30.700 0.1 1
19 2 2 GLU CG C 36.200 0.1 1
20 2 2 GLU N N 126.936 0.1 1
21 3 3 ILE H H 8.807 0.02 1
22 3 3 ILE HA H 4.254 0.02 1
23 3 3 ILE HB H 1.849 0.02 1
24 3 3 ILE HD1 H 0.870 0.02 1
25 3 3 ILE HG12 H 1.763 0.02 2
26 3 3 ILE HG13 H 1.763 0.02 2
27 3 3 ILE HG2 H 0.844 0.02 1
28 3 3 ILE CA C 61.720 0.1 1
29 3 3 ILE CB C 37.960 0.1 1
30 3 3 ILE CD1 C 13.438 0.1 1
31 3 3 ILE CG1 C 28.106 0.1 1
32 3 3 ILE CG2 C 19.119 0.1 1
33 3 3 ILE N N 126.547 0.1 1
34 4 4 GLN H H 8.855 0.02 1
35 4 4 GLN HA H 4.524 0.02 1
36 4 4 GLN HB2 H 2.121 0.02 2
37 4 4 GLN HB3 H 2.175 0.02 2
38 4 4 GLN HE21 H 7.701 0.02 2
39 4 4 GLN HE22 H 6.836 0.02 2
40 4 4 GLN HG2 H 2.537 0.02 2
41 4 4 GLN HG3 H 2.375 0.02 2
42 4 4 GLN CA C 55.300 0.1 1
43 4 4 GLN CB C 30.400 0.1 1
44 4 4 GLN CG C 34.600 0.1 1
45 4 4 GLN N N 129.353 0.1 1
46 4 4 GLN NE2 N 111.449 0.1 1
47 5 5 LYS H H 8.955 0.02 1
48 5 5 LYS HA H 4.586 0.02 1
49 5 5 LYS HB2 H 1.914 0.02 2
50 5 5 LYS HB3 H 1.656 0.02 2
51 5 5 LYS HD2 H 1.698 0.02 2
52 5 5 LYS HD3 H 1.698 0.02 2
53 5 5 LYS HE2 H 3.093 0.02 2
54 5 5 LYS HE3 H 3.093 0.02 2
55 5 5 LYS HG2 H 1.568 0.02 2
56 5 5 LYS HG3 H 1.335 0.02 2
57 5 5 LYS CA C 57.857 0.1 1
58 5 5 LYS CB C 33.939 0.1 1
59 5 5 LYS CD C 30.127 0.1 1
60 5 5 LYS CE C 42.416 0.1 1
61 5 5 LYS CG C 26.233 0.1 1
62 5 5 LYS N N 123.231 0.1 1
63 6 6 LYS H H 8.854 0.02 1
64 6 6 LYS HA H 4.327 0.02 1
65 6 6 LYS HB2 H 1.404 0.02 2
66 6 6 LYS HB3 H 1.750 0.02 2
67 6 6 LYS HD2 H 1.635 0.02 2
68 6 6 LYS HD3 H 1.635 0.02 2
69 6 6 LYS HE2 H 2.948 0.02 2
70 6 6 LYS HE3 H 2.948 0.02 2
71 6 6 LYS HG2 H 1.383 0.02 2
72 6 6 LYS HG3 H 1.323 0.02 2
73 6 6 LYS CA C 55.791 0.1 1
74 6 6 LYS CB C 32.980 0.1 1
75 6 6 LYS CD C 29.700 0.1 1
76 6 6 LYS CE C 42.339 0.1 1
77 6 6 LYS CG C 24.880 0.1 1
78 6 6 LYS N N 131.494 0.1 1
79 7 7 LEU H H 7.619 0.02 1
80 7 7 LEU HA H 4.151 0.02 1
81 7 7 LEU HB2 H 1.759 0.02 2
82 7 7 LEU HB3 H 1.523 0.02 2
83 7 7 LEU HD1 H 0.937 0.02 2
84 7 7 LEU HD2 H 0.554 0.02 2
85 7 7 LEU HG H 1.628 0.02 1
86 7 7 LEU CA C 55.663 0.1 1
87 7 7 LEU CB C 43.685 0.1 1
88 7 7 LEU CD1 C 26.100 0.1 1
89 7 7 LEU CD2 C 22.900 0.1 1
90 7 7 LEU CG C 27.434 0.1 1
91 7 7 LEU N N 116.263 0.1 1
92 8 8 VAL H H 8.177 0.02 1
93 8 8 VAL HA H 4.027 0.02 1
94 8 8 VAL HB H 2.149 0.02 1
95 8 8 VAL HG1 H 1.125 0.02 2
96 8 8 VAL HG2 H 1.270 0.02 2
97 8 8 VAL CA C 60.887 0.1 1
98 8 8 VAL CB C 32.538 0.1 1
99 8 8 VAL CG1 C 21.416 0.1 1
100 8 8 VAL CG2 C 23.070 0.1 1
101 8 8 VAL N N 120.084 0.1 1
102 9 9 ASP H H 8.359 0.02 1
103 9 9 ASP HA H 4.722 0.02 1
104 9 9 ASP HB2 H 2.679 0.02 2
105 9 9 ASP HB3 H 2.475 0.02 2
106 9 9 ASP CA C 53.605 0.1 1
107 9 9 ASP CB C 43.329 0.1 1
108 9 9 ASP N N 128.543 0.1 1
109 10 10 PRO HA H 2.608 0.02 1
110 10 10 PRO HB2 H 1.551 0.02 2
111 10 10 PRO HB3 H 1.679 0.02 2
112 10 10 PRO HD2 H 3.549 0.02 2
113 10 10 PRO HD3 H 3.908 0.02 2
114 10 10 PRO HG2 H 1.961 0.02 2
115 10 10 PRO HG3 H 1.746 0.02 2
116 10 10 PRO CA C 64.440 0.1 1
117 10 10 PRO CB C 32.141 0.1 1
118 10 10 PRO CD C 51.422 0.1 1
119 10 10 PRO CG C 27.711 0.1 1
120 11 11 SER H H 8.590 0.02 1
121 11 11 SER HA H 4.143 0.02 1
122 11 11 SER HB2 H 3.934 0.02 2
123 11 11 SER HB3 H 3.934 0.02 2
124 11 11 SER CA C 61.388 0.1 1
125 11 11 SER CB C 62.765 0.1 1
126 11 11 SER N N 114.587 0.1 1
127 12 12 LYS H H 8.269 0.02 1
128 12 12 LYS HA H 4.774 0.02 1
129 12 12 LYS HB2 H 1.856 0.02 2
130 12 12 LYS HB3 H 2.081 0.02 2
131 12 12 LYS HD2 H 1.700 0.02 2
132 12 12 LYS HD3 H 1.700 0.02 2
133 12 12 LYS HE2 H 2.972 0.02 2
134 12 12 LYS HE3 H 2.972 0.02 2
135 12 12 LYS HG2 H 1.445 0.02 2
136 12 12 LYS HG3 H 1.539 0.02 2
137 12 12 LYS CA C 55.899 0.1 1
138 12 12 LYS CB C 33.297 0.1 1
139 12 12 LYS CD C 29.651 0.1 1
140 12 12 LYS CE C 42.931 0.1 1
141 12 12 LYS CG C 25.500 0.1 1
142 12 12 LYS N N 120.792 0.1 1
143 13 13 TYR H H 7.847 0.02 1
144 13 13 TYR HA H 4.741 0.02 1
145 13 13 TYR HB2 H 3.187 0.02 2
146 13 13 TYR HB3 H 2.954 0.02 2
147 13 13 TYR HD1 H 6.726 0.02 1
148 13 13 TYR HD2 H 6.726 0.02 1
149 13 13 TYR HE1 H 6.610 0.02 1
150 13 13 TYR HE2 H 6.610 0.02 1
151 13 13 TYR CA C 58.244 0.1 1
152 13 13 TYR CB C 36.107 0.1 1
153 13 13 TYR CD1 C 131.241 0.1 1
154 13 13 TYR CE1 C 117.638 0.1 1
155 13 13 TYR N N 122.178 0.1 1
156 14 14 GLY H H 8.726 0.02 1
157 14 14 GLY HA2 H 3.734 0.02 2
158 14 14 GLY HA3 H 3.890 0.02 2
159 14 14 GLY CA C 47.207 0.1 1
160 14 14 GLY N N 104.155 0.1 1
161 15 15 THR H H 7.266 0.02 1
162 15 15 THR HA H 4.408 0.02 1
163 15 15 THR HB H 4.026 0.02 1
164 15 15 THR HG2 H 1.142 0.02 1
165 15 15 THR CA C 64.389 0.1 1
166 15 15 THR CB C 70.796 0.1 1
167 15 15 THR CG2 C 22.747 0.1 1
168 15 15 THR N N 113.454 0.1 1
169 16 16 LYS H H 7.864 0.02 1
170 16 16 LYS HA H 4.450 0.02 1
171 16 16 LYS HB2 H 1.940 0.02 2
172 16 16 LYS HB3 H 1.699 0.02 2
173 16 16 LYS HD2 H 1.528 0.02 2
174 16 16 LYS HD3 H 1.528 0.02 2
175 16 16 LYS HE2 H 3.159 0.02 2
176 16 16 LYS HE3 H 3.159 0.02 2
177 16 16 LYS HG2 H 1.513 0.02 2
178 16 16 LYS HG3 H 1.513 0.02 2
179 16 16 LYS CA C 56.385 0.1 1
180 16 16 LYS CB C 35.200 0.1 1
181 16 16 LYS CD C 29.730 0.1 1
182 16 16 LYS CE C 43.980 0.1 1
183 16 16 LYS CG C 25.200 0.1 1
184 16 16 LYS N N 114.964 0.1 1
185 17 17 CYS H H 8.633 0.02 1
186 17 17 CYS HA H 4.635 0.02 1
187 17 17 CYS HB2 H 2.921 0.02 2
188 17 17 CYS HB3 H 2.830 0.02 2
189 17 17 CYS CA C 54.335 0.1 1
190 17 17 CYS CB C 28.439 0.1 1
191 17 17 CYS N N 111.680 0.1 1
192 18 18 PRO HA H 3.869 0.02 1
193 18 18 PRO HB2 H 2.263 0.02 2
194 18 18 PRO HB3 H 1.126 0.02 2
195 18 18 PRO HD2 H 3.305 0.02 2
196 18 18 PRO HD3 H 3.144 0.02 2
197 18 18 PRO HG2 H 1.742 0.02 2
198 18 18 PRO HG3 H 2.352 0.02 2
199 18 18 PRO CA C 64.934 0.1 1
200 18 18 PRO CB C 32.369 0.1 1
201 18 18 PRO CD C 50.774 0.1 1
202 18 18 PRO CG C 27.792 0.1 1
203 19 19 TYR H H 8.009 0.02 1
204 19 19 TYR HA H 5.008 0.02 1
205 19 19 TYR HB2 H 3.139 0.02 2
206 19 19 TYR HB3 H 2.414 0.02 2
207 19 19 TYR HD1 H 6.866 0.02 1
208 19 19 TYR HD2 H 6.866 0.02 1
209 19 19 TYR HE1 H 6.967 0.02 1
210 19 19 TYR HE2 H 6.967 0.02 1
211 19 19 TYR CA C 55.960 0.1 1
212 19 19 TYR CB C 40.100 0.1 1
213 19 19 TYR CD1 C 133.277 0.1 1
214 19 19 TYR CE1 C 118.101 0.1 1
215 19 19 TYR N N 117.857 0.008 1
216 20 20 THR H H 8.220 0.02 1
217 20 20 THR HA H 4.576 0.02 1
218 20 20 THR HB H 4.339 0.02 1
219 20 20 THR HG2 H 1.292 0.02 1
220 20 20 THR CA C 62.385 0.1 1
221 20 20 THR CB C 70.290 0.1 1
222 20 20 THR CG2 C 22.305 0.1 1
223 20 20 THR N N 111.703 0.1 1
224 21 21 MET H H 8.288 0.02 1
225 21 21 MET HA H 4.535 0.02 1
226 21 21 MET HB2 H 1.480 0.02 2
227 21 21 MET HB3 H 1.382 0.02 2
228 21 21 MET HE H 1.332 0.02 1
229 21 21 MET HG2 H 2.170 0.02 2
230 21 21 MET HG3 H 1.517 0.02 2
231 21 21 MET CA C 55.762 0.1 1
232 21 21 MET CB C 38.362 0.1 1
233 21 21 MET CE C 16.099 0.1 1
234 21 21 MET CG C 31.600 0.1 1
235 21 21 MET N N 123.423 0.1 1
236 22 22 LYS H H 8.057 0.02 1
237 22 22 LYS HA H 4.832 0.02 1
238 22 22 LYS HB2 H 1.798 0.02 2
239 22 22 LYS HB3 H 1.711 0.02 2
240 22 22 LYS HD2 H 1.846 0.02 2
241 22 22 LYS HD3 H 1.688 0.02 2
242 22 22 LYS HE2 H 3.011 0.02 2
243 22 22 LYS HE3 H 3.011 0.02 2
244 22 22 LYS HG2 H 1.433 0.02 2
245 22 22 LYS HG3 H 1.360 0.02 2
246 22 22 LYS CA C 52.393 0.1 1
247 22 22 LYS CB C 32.300 0.1 1
248 22 22 LYS CD C 29.695 0.1 1
249 22 22 LYS CE C 42.400 0.1 1
250 22 22 LYS CG C 24.555 0.1 1
251 22 22 LYS N N 126.574 0.1 1
252 23 23 PRO HA H 3.845 0.02 1
253 23 23 PRO HB2 H 1.444 0.02 2
254 23 23 PRO HB3 H 1.752 0.02 2
255 23 23 PRO HD2 H 3.737 0.02 2
256 23 23 PRO HD3 H 3.318 0.02 2
257 23 23 PRO HG2 H 1.391 0.02 2
258 23 23 PRO HG3 H 0.753 0.02 2
259 23 23 PRO CA C 64.334 0.1 1
260 23 23 PRO CB C 32.980 0.1 1
261 23 23 PRO CD C 51.098 0.1 1
262 23 23 PRO CG C 26.820 0.1 1
263 24 24 LYS H H 8.549 0.02 1
264 24 24 LYS HA H 4.401 0.02 1
265 24 24 LYS HB2 H 1.575 0.02 2
266 24 24 LYS HB3 H 1.575 0.02 2
267 24 24 LYS HD2 H 1.630 0.02 2
268 24 24 LYS HD3 H 1.630 0.02 2
269 24 24 LYS HE2 H 2.935 0.02 2
270 24 24 LYS HE3 H 2.935 0.02 2
271 24 24 LYS HG2 H 1.089 0.02 2
272 24 24 LYS HG3 H 1.408 0.02 2
273 24 24 LYS CA C 55.825 0.1 1
274 24 24 LYS CB C 36.816 0.1 1
275 24 24 LYS CD C 29.100 0.1 1
276 24 24 LYS CE C 42.358 0.1 1
277 24 24 LYS CG C 25.200 0.1 1
278 24 24 LYS N N 121.101 0.1 1
279 25 25 TYR H H 7.800 0.02 1
280 25 25 TYR HA H 5.402 0.02 1
281 25 25 TYR HB2 H 3.483 0.02 2
282 25 25 TYR HB3 H 2.416 0.02 2
283 25 25 TYR HD1 H 6.981 0.02 1
284 25 25 TYR HD2 H 6.981 0.02 1
285 25 25 TYR HE1 H 6.863 0.02 1
286 25 25 TYR HE2 H 6.863 0.02 1
287 25 25 TYR CA C 55.661 0.1 1
288 25 25 TYR CB C 43.600 0.1 1
289 25 25 TYR CD1 C 133.862 0.1 1
290 25 25 TYR CE1 C 118.584 0.1 1
291 25 25 TYR N N 113.565 0.1 1
292 26 26 ILE H H 8.960 0.02 1
293 26 26 ILE HA H 5.088 0.02 1
294 26 26 ILE HB H 1.806 0.02 1
295 26 26 ILE HD1 H 0.956 0.02 1
296 26 26 ILE HG12 H 1.043 0.02 2
297 26 26 ILE HG13 H 1.762 0.02 2
298 26 26 ILE HG2 H 1.111 0.02 1
299 26 26 ILE CA C 60.569 0.1 1
300 26 26 ILE CB C 42.929 0.1 1
301 26 26 ILE CD1 C 17.233 0.1 1
302 26 26 ILE CG1 C 29.100 0.1 1
303 26 26 ILE CG2 C 17.905 0.1 1
304 26 26 ILE N N 122.396 0.1 1
305 27 27 THR H H 9.862 0.02 1
306 27 27 THR HA H 5.406 0.02 1
307 27 27 THR HB H 4.084 0.02 1
308 27 27 THR HG1 H 6.230 0.02 1
309 27 27 THR HG2 H 0.846 0.02 1
310 27 27 THR CA C 61.453 0.1 1
311 27 27 THR CB C 68.991 0.1 1
312 27 27 THR CG2 C 22.726 0.1 1
313 27 27 THR N N 125.284 0.1 1
314 28 28 VAL H H 8.850 0.02 1
315 28 28 VAL HA H 4.571 0.02 1
316 28 28 VAL HB H 2.090 0.02 1
317 28 28 VAL HG1 H 1.109 0.02 2
318 28 28 VAL HG2 H 0.845 0.02 2
319 28 28 VAL CA C 63.065 0.1 1
320 28 28 VAL CB C 33.109 0.1 1
321 28 28 VAL CG1 C 22.166 0.1 1
322 28 28 VAL CG2 C 22.942 0.1 1
323 28 28 VAL N N 128.933 0.1 1
324 29 29 HIS H H 8.695 0.02 1
325 29 29 HIS HA H 5.498 0.02 1
326 29 29 HIS HB2 H 2.835 0.02 2
327 29 29 HIS HB3 H 2.794 0.02 2
328 29 29 HIS HD2 H 6.964 0.02 1
329 29 29 HIS HE1 H 7.378 0.02 1
330 29 29 HIS HE2 H 11.708 0.02 1
331 29 29 HIS CA C 54.335 0.1 1
332 29 29 HIS CB C 36.208 0.1 1
333 29 29 HIS CD2 C 120.336 0.1 1
334 29 29 HIS CE1 C 139.187 0.1 1
335 29 29 HIS N N 121.100 0.1 1
336 29 29 HIS NE2 N 166.171 0.1 1
337 30 30 ASN H H 7.713 0.02 1
338 30 30 ASN HA H 5.713 0.02 1
339 30 30 ASN HB2 H 3.060 0.02 2
340 30 30 ASN HB3 H 3.702 0.02 2
341 30 30 ASN HD21 H 7.155 0.02 2
342 30 30 ASN HD22 H 6.666 0.02 2
343 30 30 ASN CA C 52.269 0.1 1
344 30 30 ASN CB C 43.329 0.1 1
345 30 30 ASN N N 120.442 0.1 1
346 30 30 ASN ND2 N 107.508 0.1 1
347 31 31 THR H H 8.221 0.02 1
348 31 31 THR HA H 3.980 0.02 1
349 31 31 THR HB H 4.428 0.02 1
350 31 31 THR HG2 H 1.120 0.02 1
351 31 31 THR CA C 64.346 0.1 1
352 31 31 THR CB C 71.144 0.1 1
353 31 31 THR CG2 C 23.907 0.1 1
354 31 31 THR N N 113.388 0.1 1
355 32 32 TYR H H 8.949 0.02 1
356 32 32 TYR HA H 3.953 0.02 1
357 32 32 TYR HB2 H 3.586 0.02 2
358 32 32 TYR HB3 H 2.914 0.02 2
359 32 32 TYR HD1 H 6.747 0.02 1
360 32 32 TYR HD2 H 6.747 0.02 1
361 32 32 TYR HE1 H 6.610 0.02 1
362 32 32 TYR HE2 H 6.610 0.02 1
363 32 32 TYR CA C 59.191 0.1 1
364 32 32 TYR CB C 37.826 0.1 1
365 32 32 TYR CD1 C 133.072 0.1 1
366 32 32 TYR CE1 C 117.638 0.1 1
367 32 32 TYR N N 117.929 0.1 1
368 33 33 ASN H H 8.223 0.02 1
369 33 33 ASN HA H 4.907 0.02 1
370 33 33 ASN HB2 H 2.872 0.02 2
371 33 33 ASN HB3 H 2.822 0.02 2
372 33 33 ASN CA C 51.622 0.1 1
373 33 33 ASN CB C 41.711 0.1 1
374 33 33 ASN N N 114.872 0.1 1
375 34 34 ASP H H 8.329 0.02 1
376 34 34 ASP HA H 5.350 0.02 1
377 34 34 ASP HB2 H 3.195 0.02 2
378 34 34 ASP HB3 H 2.504 0.02 2
379 34 34 ASP CA C 53.859 0.1 1
380 34 34 ASP CB C 41.645 0.1 1
381 34 34 ASP N N 121.984 0.1 1
382 35 35 ALA H H 7.282 0.02 1
383 35 35 ALA HA H 5.054 0.02 1
384 35 35 ALA HB H 1.377 0.02 1
385 35 35 ALA CA C 49.156 0.1 1
386 35 35 ALA CB C 20.370 0.1 1
387 35 35 ALA N N 122.768 0.1 1
388 36 36 PRO HA H 4.400 0.02 1
389 36 36 PRO HB2 H 2.294 0.02 2
390 36 36 PRO HB3 H 2.682 0.02 2
391 36 36 PRO HD2 H 3.680 0.02 2
392 36 36 PRO HD3 H 3.996 0.02 2
393 36 36 PRO HG2 H 1.926 0.02 2
394 36 36 PRO HG3 H 2.319 0.02 2
395 36 36 PRO CA C 62.541 0.1 1
396 36 36 PRO CB C 33.310 0.1 1
397 36 36 PRO CD C 51.098 0.1 1
398 36 36 PRO CG C 27.554 0.1 1
399 37 37 ALA H H 10.386 0.02 1
400 37 37 ALA HA H 3.697 0.02 1
401 37 37 ALA HB H 1.226 0.02 1
402 37 37 ALA CA C 56.332 0.1 1
403 37 37 ALA CB C 18.366 0.1 1
404 37 37 ALA N N 125.552 0.1 1
405 38 38 GLU H H 10.154 0.02 1
406 38 38 GLU HA H 3.811 0.02 1
407 38 38 GLU HB2 H 2.000 0.02 2
408 38 38 GLU HB3 H 2.000 0.02 2
409 38 38 GLU HG2 H 2.316 0.02 2
410 38 38 GLU HG3 H 2.316 0.02 2
411 38 38 GLU CA C 60.374 0.1 1
412 38 38 GLU CB C 29.100 0.1 1
413 38 38 GLU CG C 36.200 0.1 1
414 38 38 GLU N N 117.400 0.1 1
415 39 39 ASN H H 7.059 0.02 1
416 39 39 ASN HA H 4.517 0.02 1
417 39 39 ASN HB2 H 2.735 0.02 2
418 39 39 ASN HB3 H 2.904 0.02 2
419 39 39 ASN HD21 H 7.633 0.02 2
420 39 39 ASN HD22 H 6.999 0.02 2
421 39 39 ASN CA C 56.263 0.1 1
422 39 39 ASN CB C 38.046 0.1 1
423 39 39 ASN N N 120.148 0.1 1
424 39 39 ASN ND2 N 111.210 0.1 1
425 40 40 GLU H H 8.055 0.02 1
426 40 40 GLU HA H 4.387 0.02 1
427 40 40 GLU HB2 H 2.162 0.02 2
428 40 40 GLU HB3 H 1.934 0.02 2
429 40 40 GLU HG2 H 2.392 0.02 2
430 40 40 GLU HG3 H 2.172 0.02 2
431 40 40 GLU CA C 59.348 0.1 1
432 40 40 GLU CB C 29.400 0.1 1
433 40 40 GLU CG C 34.900 0.1 1
434 40 40 GLU N N 120.335 0.1 1
435 41 41 VAL H H 8.510 0.02 1
436 41 41 VAL HA H 3.619 0.02 1
437 41 41 VAL HB H 1.951 0.02 1
438 41 41 VAL HG1 H 0.965 0.02 2
439 41 41 VAL HG2 H 1.112 0.02 2
440 41 41 VAL CA C 67.957 0.1 1
441 41 41 VAL CB C 32.225 0.1 1
442 41 41 VAL CG1 C 22.963 0.1 1
443 41 41 VAL CG2 C 24.578 0.1 1
444 41 41 VAL N N 119.168 0.1 1
445 42 42 SER H H 8.199 0.02 1
446 42 42 SER HA H 4.062 0.02 1
447 42 42 SER HB2 H 3.971 0.02 2
448 42 42 SER HB3 H 3.971 0.02 2
449 42 42 SER CA C 62.860 0.1 1
450 42 42 SER CB C 62.860 0.1 1
451 42 42 SER N N 114.972 0.1 1
452 43 43 TYR H H 8.233 0.02 1
453 43 43 TYR HA H 4.303 0.02 1
454 43 43 TYR HB2 H 3.036 0.02 2
455 43 43 TYR HB3 H 3.298 0.02 2
456 43 43 TYR HD1 H 7.262 0.02 1
457 43 43 TYR HD2 H 7.262 0.02 1
458 43 43 TYR HE1 H 6.844 0.011 1
459 43 43 TYR HE2 H 6.844 0.011 1
460 43 43 TYR CA C 61.128 0.1 1
461 43 43 TYR CB C 38.025 0.1 1
462 43 43 TYR CD1 C 133.862 0.1 1
463 43 43 TYR CE1 C 118.073 0.034 1
464 43 43 TYR N N 121.023 0.1 1
465 44 44 MET H H 7.624 0.02 1
466 44 44 MET HA H 3.962 0.02 1
467 44 44 MET HB2 H 2.166 0.02 2
468 44 44 MET HB3 H 2.294 0.02 2
469 44 44 MET HE H 1.332 0.02 1
470 44 44 MET HG2 H 2.426 0.02 2
471 44 44 MET HG3 H 2.300 0.02 2
472 44 44 MET CA C 59.117 0.1 1
473 44 44 MET CB C 29.700 0.1 1
474 44 44 MET CE C 16.099 0.1 1
475 44 44 MET CG C 30.700 0.1 1
476 44 44 MET N N 120.305 0.1 1
477 45 45 ILE H H 8.393 0.02 1
478 45 45 ILE HA H 4.062 0.02 1
479 45 45 ILE HB H 2.141 0.02 1
480 45 45 ILE HD1 H 0.778 0.02 1
481 45 45 ILE HG12 H 1.557 0.02 2
482 45 45 ILE HG13 H 1.376 0.02 2
483 45 45 ILE HG2 H 1.047 0.02 1
484 45 45 ILE CA C 64.451 0.1 1
485 45 45 ILE CB C 38.779 0.1 1
486 45 45 ILE CD1 C 13.715 0.1 1
487 45 45 ILE CG1 C 26.200 0.1 1
488 45 45 ILE CG2 C 18.144 0.1 1
489 45 45 ILE N N 110.879 0.1 1
490 46 46 SER H H 7.465 0.02 1
491 46 46 SER HA H 4.522 0.02 1
492 46 46 SER HB2 H 3.950 0.02 2
493 46 46 SER HB3 H 3.995 0.02 2
494 46 46 SER CA C 59.794 0.1 1
495 46 46 SER CB C 64.753 0.1 1
496 46 46 SER N N 114.760 0.1 1
497 47 47 ASN H H 7.068 0.02 1
498 47 47 ASN HA H 4.758 0.02 1
499 47 47 ASN HB2 H 2.922 0.02 2
500 47 47 ASN HB3 H 2.412 0.02 2
501 47 47 ASN HD21 H 7.575 0.02 2
502 47 47 ASN HD22 H 5.770 0.02 2
503 47 47 ASN CA C 52.980 0.1 1
504 47 47 ASN CB C 39.324 0.1 1
505 47 47 ASN N N 118.452 0.1 1
506 47 47 ASN ND2 N 119.664 0.1 1
507 48 48 ASN H H 8.705 0.02 1
508 48 48 ASN HA H 5.001 0.02 1
509 48 48 ASN HB2 H 3.063 0.02 2
510 48 48 ASN HB3 H 2.667 0.02 2
511 48 48 ASN HD21 H 7.510 0.02 2
512 48 48 ASN HD22 H 6.874 0.02 2
513 48 48 ASN CA C 53.006 0.1 1
514 48 48 ASN CB C 39.106 0.1 1
515 48 48 ASN N N 118.642 0.1 1
516 48 48 ASN ND2 N 113.034 0.1 1
517 49 49 ASN H H 8.568 0.02 1
518 49 49 ASN HA H 4.774 0.02 1
519 49 49 ASN HB2 H 2.798 0.02 2
520 49 49 ASN HB3 H 2.798 0.02 2
521 49 49 ASN CA C 52.980 0.1 1
522 49 49 ASN CB C 39.219 0.1 1
523 49 49 ASN N N 118.630 0.1 1
524 50 50 GLU H H 8.863 0.02 1
525 50 50 GLU HA H 4.489 0.02 1
526 50 50 GLU HB2 H 1.808 0.02 2
527 50 50 GLU HB3 H 1.808 0.02 2
528 50 50 GLU HG2 H 2.237 0.02 2
529 50 50 GLU HG3 H 2.237 0.02 2
530 50 50 GLU CA C 56.657 0.1 1
531 50 50 GLU CB C 28.300 0.1 1
532 50 50 GLU CG C 36.971 0.1 1
533 50 50 GLU N N 123.783 0.1 1
534 51 51 VAL H H 7.858 0.02 1
535 51 51 VAL HA H 4.660 0.02 1
536 51 51 VAL HB H 1.914 0.02 1
537 51 51 VAL HG1 H 1.023 0.02 2
538 51 51 VAL HG2 H 1.023 0.02 2
539 51 51 VAL CA C 62.674 0.1 1
540 51 51 VAL CB C 35.062 0.1 1
541 51 51 VAL CG1 C 21.666 0.1 1
542 51 51 VAL N N 119.820 0.1 1
543 52 52 SER H H 8.242 0.02 1
544 52 52 SER HA H 4.467 0.02 1
545 52 52 SER HB2 H 4.129 0.02 2
546 52 52 SER HB3 H 3.763 0.02 2
547 52 52 SER CA C 56.385 0.1 1
548 52 52 SER CB C 65.711 0.1 1
549 52 52 SER N N 118.646 0.009 1
550 53 53 PHE H H 6.609 0.02 1
551 53 53 PHE HA H 4.189 0.02 1
552 53 53 PHE HB2 H 2.535 0.02 2
553 53 53 PHE HB3 H 3.231 0.02 2
554 53 53 PHE HD1 H 6.922 0.02 1
555 53 53 PHE HD2 H 6.922 0.02 1
556 53 53 PHE HE1 H 7.218 0.02 1
557 53 53 PHE HE2 H 7.218 0.02 1
558 53 53 PHE HZ H 6.791 0.02 1
559 53 53 PHE CA C 56.257 0.1 1
560 53 53 PHE CB C 39.270 0.1 1
561 53 53 PHE CD1 C 133.553 0.1 1
562 53 53 PHE CE1 C 131.127 0.1 1
563 53 53 PHE CZ C 128.136 0.1 1
564 53 53 PHE N N 109.044 0.1 1
565 54 54 HIS H H 7.526 0.02 1
566 54 54 HIS HA H 4.441 0.02 1
567 54 54 HIS HB2 H 3.056 0.02 2
568 54 54 HIS HB3 H 3.348 0.02 2
569 54 54 HIS HD2 H 6.991 0.02 1
570 54 54 HIS HE1 H 7.978 0.02 1
571 54 54 HIS HE2 H 12.266 0.02 1
572 54 54 HIS CA C 63.550 0.1 1
573 54 54 HIS CB C 32.564 0.1 1
574 54 54 HIS CD2 C 119.554 0.1 1
575 54 54 HIS CE1 C 140.248 0.1 1
576 54 54 HIS N N 114.056 0.030 1
577 54 54 HIS NE2 N 168.612 0.1 1
578 55 55 ILE H H 8.084 0.02 1
579 55 55 ILE HA H 5.407 0.02 1
580 55 55 ILE HB H 1.573 0.02 1
581 55 55 ILE HD1 H 0.933 0.02 1
582 55 55 ILE HG12 H 0.910 0.02 2
583 55 55 ILE HG13 H 1.720 0.02 2
584 55 55 ILE HG2 H 0.852 0.02 1
585 55 55 ILE CA C 59.616 0.1 1
586 55 55 ILE CB C 45.592 0.1 1
587 55 55 ILE CD1 C 16.061 0.1 1
588 55 55 ILE CG1 C 28.820 0.1 1
589 55 55 ILE CG2 C 18.163 0.1 1
590 55 55 ILE N N 118.070 0.1 1
591 56 56 ALA H H 9.292 0.02 1
592 56 56 ALA HA H 5.494 0.02 1
593 56 56 ALA HB H 1.323 0.02 1
594 56 56 ALA CA C 50.260 0.1 1
595 56 56 ALA CB C 21.966 0.1 1
596 56 56 ALA N N 127.946 0.1 1
597 57 57 VAL H H 9.160 0.02 1
598 57 57 VAL HA H 5.067 0.02 1
599 57 57 VAL HB H 2.020 0.02 1
600 57 57 VAL HG1 H 1.179 0.02 2
601 57 57 VAL HG2 H 0.999 0.02 2
602 57 57 VAL CA C 61.075 0.1 1
603 57 57 VAL CB C 35.181 0.1 1
604 57 57 VAL CG1 C 22.659 0.1 1
605 57 57 VAL CG2 C 23.200 0.1 1
606 57 57 VAL N N 121.795 0.1 1
607 58 58 ASP H H 9.386 0.02 1
608 58 58 ASP HA H 5.156 0.02 1
609 58 58 ASP HB2 H 3.413 0.02 2
610 58 58 ASP HB3 H 2.920 0.02 2
611 58 58 ASP CA C 52.194 0.1 1
612 58 58 ASP CB C 41.910 0.1 1
613 58 58 ASP N N 128.516 0.1 1
614 59 59 ASP H H 9.760 0.02 1
615 59 59 ASP HA H 3.872 0.02 1
616 59 59 ASP HB2 H 2.682 0.02 2
617 59 59 ASP HB3 H 3.272 0.02 2
618 59 59 ASP CA C 56.443 0.1 1
619 59 59 ASP CB C 39.160 0.1 1
620 59 59 ASP N N 113.493 0.1 1
621 60 60 LYS H H 9.387 0.02 1
622 60 60 LYS HA H 4.603 0.02 1
623 60 60 LYS HB2 H 1.837 0.02 2
624 60 60 LYS HB3 H 1.931 0.02 2
625 60 60 LYS HD2 H 1.411 0.02 2
626 60 60 LYS HD3 H 1.411 0.02 2
627 60 60 LYS HE2 H 3.017 0.02 2
628 60 60 LYS HE3 H 3.017 0.02 2
629 60 60 LYS HG2 H 1.665 0.02 2
630 60 60 LYS HG3 H 1.723 0.02 2
631 60 60 LYS CA C 56.900 0.1 1
632 60 60 LYS CB C 36.952 0.1 1
633 60 60 LYS CD C 25.200 0.1 1
634 60 60 LYS CE C 42.653 0.1 1
635 60 60 LYS CG C 29.600 0.1 1
636 60 60 LYS N N 121.431 0.1 1
637 61 61 LYS H H 9.247 0.02 1
638 61 61 LYS HA H 4.852 0.02 1
639 61 61 LYS HB2 H 1.882 0.02 2
640 61 61 LYS HB3 H 1.716 0.02 2
641 61 61 LYS HD2 H 1.688 0.02 2
642 61 61 LYS HD3 H 1.688 0.02 2
643 61 61 LYS HE2 H 2.994 0.02 2
644 61 61 LYS HE3 H 2.994 0.02 2
645 61 61 LYS HG2 H 1.588 0.02 2
646 61 61 LYS HG3 H 1.351 0.02 2
647 61 61 LYS CA C 55.600 0.1 1
648 61 61 LYS CB C 37.140 0.1 1
649 61 61 LYS CD C 29.500 0.1 1
650 61 61 LYS CE C 42.200 0.1 1
651 61 61 LYS CG C 24.192 0.1 1
652 61 61 LYS N N 121.022 0.1 1
653 62 62 ALA H H 8.441 0.02 1
654 62 62 ALA HA H 5.380 0.02 1
655 62 62 ALA HB H 1.314 0.02 1
656 62 62 ALA CA C 50.778 0.1 1
657 62 62 ALA CB C 22.205 0.1 1
658 62 62 ALA N N 121.540 0.1 1
659 63 63 ILE H H 9.077 0.02 1
660 63 63 ILE HA H 4.923 0.02 1
661 63 63 ILE HB H 1.710 0.02 1
662 63 63 ILE HD1 H 0.765 0.02 1
663 63 63 ILE HG12 H 1.214 0.02 2
664 63 63 ILE HG13 H 1.214 0.02 2
665 63 63 ILE HG2 H 0.806 0.02 1
666 63 63 ILE CA C 58.812 0.1 1
667 63 63 ILE CB C 40.250 0.1 1
668 63 63 ILE CD1 C 12.125 0.1 1
669 63 63 ILE CG1 C 27.172 0.1 1
670 63 63 ILE CG2 C 18.945 0.1 1
671 63 63 ILE N N 121.225 0.1 1
672 64 64 GLN H H 9.481 0.02 1
673 64 64 GLN HA H 5.227 0.02 1
674 64 64 GLN HB2 H 1.795 0.02 2
675 64 64 GLN HB3 H 1.994 0.02 2
676 64 64 GLN HE21 H 7.562 0.02 2
677 64 64 GLN HE22 H 6.946 0.02 2
678 64 64 GLN HG2 H 2.414 0.02 2
679 64 64 GLN HG3 H 2.014 0.02 2
680 64 64 GLN CA C 53.750 0.1 1
681 64 64 GLN CB C 30.928 0.1 1
682 64 64 GLN CG C 33.300 0.1 1
683 64 64 GLN N N 129.406 0.005 1
684 64 64 GLN NE2 N 110.678 0.1 1
685 65 65 GLY H H 8.816 0.02 1
686 65 65 GLY HA2 H 5.141 0.02 2
687 65 65 GLY HA3 H 3.121 0.02 2
688 65 65 GLY CA C 45.383 0.1 1
689 65 65 GLY N N 111.278 0.1 1
690 66 66 ILE H H 7.115 0.02 1
691 66 66 ILE HA H 4.866 0.02 1
692 66 66 ILE HB H 1.642 0.02 1
693 66 66 ILE HD1 H 0.570 0.02 1
694 66 66 ILE HG12 H 1.374 0.02 2
695 66 66 ILE HG13 H 0.707 0.02 2
696 66 66 ILE HG2 H 0.867 0.02 1
697 66 66 ILE CA C 55.300 0.1 1
698 66 66 ILE CB C 41.063 0.1 1
699 66 66 ILE CD1 C 10.983 0.1 1
700 66 66 ILE CG1 C 27.792 0.1 1
701 66 66 ILE CG2 C 15.838 0.1 1
702 66 66 ILE N N 120.349 0.1 1
703 67 67 PRO HA H 4.076 0.02 1
704 67 67 PRO HB2 H 2.546 0.02 2
705 67 67 PRO HB3 H 1.575 0.02 2
706 67 67 PRO HD2 H 3.571 0.02 2
707 67 67 PRO HD3 H 3.696 0.02 2
708 67 67 PRO HG2 H 1.895 0.02 2
709 67 67 PRO HG3 H 2.010 0.02 2
710 67 67 PRO CA C 64.010 0.1 1
711 67 67 PRO CB C 33.000 0.1 1
712 67 67 PRO CD C 51.745 0.1 1
713 67 67 PRO CG C 28.152 0.1 1
714 68 68 LEU H H 8.067 0.02 1
715 68 68 LEU HA H 3.930 0.02 1
716 68 68 LEU HB2 H 1.328 0.02 2
717 68 68 LEU HB3 H 1.932 0.02 2
718 68 68 LEU HD1 H 1.071 0.02 2
719 68 68 LEU HD2 H 0.809 0.02 2
720 68 68 LEU HG H 1.957 0.02 1
721 68 68 LEU CA C 57.250 0.1 1
722 68 68 LEU CB C 40.262 0.1 1
723 68 68 LEU CD1 C 26.950 0.1 1
724 68 68 LEU CD2 C 23.169 0.1 1
725 68 68 LEU CG C 27.200 0.1 1
726 68 68 LEU N N 121.020 0.1 1
727 69 69 GLU H H 7.185 0.02 1
728 69 69 GLU HA H 4.498 0.02 1
729 69 69 GLU HB2 H 1.808 0.02 2
730 69 69 GLU HB3 H 2.558 0.02 2
731 69 69 GLU HG2 H 2.225 0.02 2
732 69 69 GLU HG3 H 2.225 0.02 2
733 69 69 GLU CA C 54.900 0.1 1
734 69 69 GLU CB C 28.110 0.1 1
735 69 69 GLU CG C 36.850 0.1 1
736 69 69 GLU N N 108.915 0.1 1
737 70 70 ARG H H 7.824 0.02 1
738 70 70 ARG HA H 4.980 0.02 1
739 70 70 ARG HB2 H 1.272 0.02 2
740 70 70 ARG HB3 H 1.737 0.02 2
741 70 70 ARG HD2 H 2.890 0.02 2
742 70 70 ARG HD3 H 2.332 0.02 2
743 70 70 ARG HE H 7.007 0.02 1
744 70 70 ARG HG2 H 1.161 0.02 2
745 70 70 ARG HG3 H 1.283 0.02 2
746 70 70 ARG CA C 54.659 0.1 1
747 70 70 ARG CB C 35.113 0.1 1
748 70 70 ARG CD C 42.682 0.1 1
749 70 70 ARG CG C 29.757 0.1 1
750 70 70 ARG N N 120.335 0.1 1
751 70 70 ARG NE N 83.902 0.1 1
752 71 71 ASN H H 8.336 0.02 1
753 71 71 ASN HA H 4.609 0.02 1
754 71 71 ASN HB2 H 3.433 0.02 2
755 71 71 ASN HB3 H 2.165 0.02 2
756 71 71 ASN HD21 H 5.149 0.02 2
757 71 71 ASN HD22 H 2.578 0.02 2
758 71 71 ASN CA C 53.675 0.1 1
759 71 71 ASN CB C 38.944 0.1 1
760 71 71 ASN N N 121.213 0.1 1
761 71 71 ASN ND2 N 104.255 0.1 1
762 72 72 ALA H H 8.220 0.02 1
763 72 72 ALA HA H 4.299 0.02 1
764 72 72 ALA HB H 0.494 0.02 1
765 72 72 ALA CA C 50.400 0.1 1
766 72 72 ALA CB C 21.266 0.1 1
767 72 72 ALA N N 114.577 0.1 1
768 73 73 TRP H H 7.537 0.02 1
769 73 73 TRP HA H 5.143 0.02 1
770 73 73 TRP HB2 H 3.133 0.02 2
771 73 73 TRP HB3 H 3.221 0.02 2
772 73 73 TRP HD1 H 7.260 0.02 1
773 73 73 TRP HE1 H 9.849 0.02 1
774 73 73 TRP HE3 H 7.574 0.02 1
775 73 73 TRP HH2 H 7.476 0.02 1
776 73 73 TRP HZ2 H 7.612 0.02 1
777 73 73 TRP HZ3 H 7.169 0.02 1
778 73 73 TRP CA C 53.300 0.1 1
779 73 73 TRP CB C 29.700 0.1 1
780 73 73 TRP CD1 C 130.132 0.1 1
781 73 73 TRP CE3 C 121.107 0.1 1
782 73 73 TRP CH2 C 124.444 0.1 1
783 73 73 TRP CZ2 C 114.644 0.1 1
784 73 73 TRP CZ3 C 121.488 0.1 1
785 73 73 TRP N N 122.038 0.1 1
786 73 73 TRP NE1 N 128.667 0.1 1
787 74 74 ALA H H 7.713 0.02 1
788 74 74 ALA HA H 4.994 0.02 1
789 74 74 ALA HB H 1.634 0.02 1
790 74 74 ALA CA C 52.649 0.1 1
791 74 74 ALA CB C 23.459 0.1 1
792 74 74 ALA N N 125.752 0.1 1
793 75 75 CYS H H 9.514 0.02 1
794 75 75 CYS HA H 3.839 0.02 1
795 75 75 CYS HB2 H 2.691 0.02 2
796 75 75 CYS HB3 H 2.571 0.02 2
797 75 75 CYS CA C 60.062 0.1 1
798 75 75 CYS CB C 30.279 0.1 1
799 75 75 CYS N N 113.965 0.1 1
800 76 76 GLY H H 8.467 0.02 1
801 76 76 GLY HA2 H 4.126 0.02 2
802 76 76 GLY HA3 H 4.406 0.02 2
803 76 76 GLY CA C 47.304 0.1 1
804 76 76 GLY N N 107.839 0.1 1
805 77 77 ASP H H 8.242 0.02 1
806 77 77 ASP HA H 4.946 0.02 1
807 77 77 ASP HB2 H 3.114 0.02 2
808 77 77 ASP HB3 H 2.080 0.02 2
809 77 77 ASP CA C 51.600 0.1 1
810 77 77 ASP CB C 39.800 0.1 1
811 77 77 ASP N N 118.642 0.029 1
812 78 78 GLY H H 8.541 0.02 1
813 78 78 GLY HA2 H 3.690 0.02 2
814 78 78 GLY HA3 H 3.867 0.02 2
815 78 78 GLY CA C 48.104 0.1 1
816 78 78 GLY N N 112.671 0.1 1
817 79 79 ASN H H 8.746 0.02 1
818 79 79 ASN HA H 5.253 0.02 1
819 79 79 ASN HB2 H 2.990 0.02 2
820 79 79 ASN HB3 H 2.539 0.02 2
821 79 79 ASN HD21 H 7.527 0.02 2
822 79 79 ASN HD22 H 6.850 0.02 2
823 79 79 ASN CA C 53.424 0.1 1
824 79 79 ASN CB C 38.370 0.1 1
825 79 79 ASN N N 125.128 0.1 1
826 79 79 ASN ND2 N 113.989 0.1 1
827 80 80 GLY H H 8.206 0.02 1
828 80 80 GLY HA2 H 3.862 0.02 2
829 80 80 GLY HA3 H 4.124 0.02 2
830 80 80 GLY CA C 44.676 0.1 1
831 80 80 GLY N N 107.759 0.1 1
832 81 81 SER H H 8.008 0.02 1
833 81 81 SER HA H 3.661 0.02 1
834 81 81 SER HB2 H 3.413 0.02 2
835 81 81 SER HB3 H 3.413 0.02 2
836 81 81 SER CA C 63.163 0.1 1
837 81 81 SER CB C 65.020 0.1 1
838 81 81 SER N N 111.777 0.027 1
839 82 82 GLY H H 9.574 0.02 1
840 82 82 GLY HA2 H 1.989 0.02 2
841 82 82 GLY HA3 H 1.848 0.02 2
842 82 82 GLY CA C 46.336 0.1 1
843 82 82 GLY N N 118.128 0.1 1
844 83 83 ASN H H 9.723 0.02 1
845 83 83 ASN HA H 4.953 0.02 1
846 83 83 ASN HB2 H 3.219 0.02 2
847 83 83 ASN HB3 H 2.870 0.02 2
848 83 83 ASN HD21 H 8.813 0.02 2
849 83 83 ASN HD22 H 6.998 0.02 2
850 83 83 ASN CA C 54.659 0.1 1
851 83 83 ASN CB C 39.445 0.1 1
852 83 83 ASN N N 125.936 0.1 1
853 83 83 ASN ND2 N 110.935 0.1 1
854 84 84 ARG H H 8.390 0.02 1
855 84 84 ARG HA H 4.522 0.02 1
856 84 84 ARG HB2 H 1.702 0.02 2
857 84 84 ARG HB3 H 1.702 0.02 2
858 84 84 ARG HD2 H 4.062 0.02 2
859 84 84 ARG HD3 H 3.025 0.02 2
860 84 84 ARG HE H 7.801 0.02 1
861 84 84 ARG CA C 53.325 0.1 1
862 84 84 ARG CB C 29.500 0.1 1
863 84 84 ARG CD C 43.006 0.1 1
864 84 84 ARG N N 112.774 0.1 1
865 84 84 ARG NE N 80.905 0.1 1
866 85 85 GLN H H 8.100 0.02 1
867 85 85 GLN HA H 4.709 0.02 1
868 85 85 GLN HB2 H 2.584 0.02 2
869 85 85 GLN HB3 H 2.420 0.02 2
870 85 85 GLN HE21 H 7.686 0.02 2
871 85 85 GLN HE22 H 6.956 0.02 2
872 85 85 GLN HG2 H 2.126 0.02 2
873 85 85 GLN HG3 H 2.421 0.02 2
874 85 85 GLN CB C 32.932 0.1 1
875 85 85 GLN CG C 35.521 0.1 1
876 85 85 GLN N N 115.308 0.1 1
877 85 85 GLN NE2 N 112.626 0.1 1
878 86 86 SER H H 7.316 0.02 1
879 86 86 SER HA H 5.868 0.02 1
880 86 86 SER HB2 H 3.796 0.02 2
881 86 86 SER HB3 H 3.796 0.02 2
882 86 86 SER CA C 55.306 0.1 1
883 86 86 SER CB C 68.754 0.1 1
884 86 86 SER N N 117.764 0.1 1
885 87 87 ILE H H 8.396 0.02 1
886 87 87 ILE HA H 4.092 0.02 1
887 87 87 ILE HB H 1.605 0.02 1
888 87 87 ILE HD1 H 0.598 0.02 1
889 87 87 ILE HG12 H 0.372 0.02 2
890 87 87 ILE HG13 H 1.446 0.02 2
891 87 87 ILE HG2 H 0.672 0.02 1
892 87 87 ILE CA C 60.100 0.1 1
893 87 87 ILE CB C 40.400 0.1 1
894 87 87 ILE CD1 C 15.291 0.1 1
895 87 87 ILE CG1 C 27.792 0.1 1
896 87 87 ILE CG2 C 18.428 0.1 1
897 87 87 ILE N N 123.849 0.1 1
898 88 88 SER H H 11.857 0.02 1
899 88 88 SER HA H 5.774 0.02 1
900 88 88 SER HB2 H 4.096 0.02 2
901 88 88 SER HB3 H 3.667 0.02 2
902 88 88 SER CA C 61.287 0.1 1
903 88 88 SER CB C 65.334 0.1 1
904 88 88 SER N N 130.369 0.1 1
905 89 89 VAL H H 9.331 0.02 1
906 89 89 VAL HA H 4.925 0.02 1
907 89 89 VAL HB H 2.027 0.02 1
908 89 89 VAL HG1 H 0.901 0.02 2
909 89 89 VAL HG2 H 0.902 0.02 2
910 89 89 VAL CA C 61.222 0.1 1
911 89 89 VAL CB C 34.908 0.1 1
912 89 89 VAL CG1 C 21.989 0.1 1
913 89 89 VAL CG2 C 21.060 0.1 1
914 89 89 VAL N N 127.306 0.1 1
915 90 90 GLU H H 9.506 0.02 1
916 90 90 GLU HA H 4.446 0.02 1
917 90 90 GLU HB2 H 1.060 0.02 2
918 90 90 GLU HB3 H 1.469 0.02 2
919 90 90 GLU HG2 H 0.555 0.02 2
920 90 90 GLU HG3 H 0.555 0.02 2
921 90 90 GLU CA C 55.450 0.1 1
922 90 90 GLU CB C 31.450 0.1 1
923 90 90 GLU CG C 31.860 0.1 1
924 90 90 GLU N N 127.275 0.1 1
925 91 91 ILE H H 7.617 0.02 1
926 91 91 ILE HA H 4.664 0.02 1
927 91 91 ILE HB H 1.947 0.02 1
928 91 91 ILE HD1 H 0.736 0.02 1
929 91 91 ILE HG12 H 0.704 0.02 2
930 91 91 ILE HG13 H 2.066 0.02 2
931 91 91 ILE HG2 H 0.967 0.02 1
932 91 91 ILE CA C 62.380 0.1 1
933 91 91 ILE CB C 39.260 0.1 1
934 91 91 ILE CD1 C 15.191 0.1 1
935 91 91 ILE CG1 C 27.500 0.1 1
936 91 91 ILE CG2 C 19.399 0.1 1
937 91 91 ILE N N 122.023 0.1 1
938 92 92 CYS H H 8.197 0.02 1
939 92 92 CYS HA H 4.713 0.02 1
940 92 92 CYS HB2 H 2.488 0.02 2
941 92 92 CYS HB3 H 2.926 0.02 2
942 92 92 CYS CA C 60.485 0.1 1
943 92 92 CYS CB C 31.029 0.1 1
944 92 92 CYS N N 125.154 0.1 1
945 93 93 TYR H H 6.603 0.02 1
946 93 93 TYR HA H 5.068 0.02 1
947 93 93 TYR HB2 H 3.749 0.02 2
948 93 93 TYR HB3 H 3.373 0.02 2
949 93 93 TYR HD1 H 6.767 0.02 1
950 93 93 TYR HD2 H 6.767 0.02 1
951 93 93 TYR HE1 H 6.859 0.02 1
952 93 93 TYR HE2 H 6.859 0.02 1
953 93 93 TYR CA C 61.564 0.1 1
954 93 93 TYR CB C 33.255 0.1 1
955 93 93 TYR CD1 C 131.627 0.1 1
956 93 93 TYR CE1 C 118.584 0.1 1
957 93 93 TYR N N 103.016 0.1 1
958 94 94 SER H H 7.655 0.02 1
959 94 94 SER HA H 3.496 0.02 1
960 94 94 SER CA C 62.712 0.1 1
961 94 94 SER N N 112.950 0.1 1
962 95 95 LYS H H 7.262 0.02 1
963 95 95 LYS HA H 3.928 0.02 1
964 95 95 LYS HB2 H 1.152 0.02 2
965 95 95 LYS HB3 H 1.729 0.02 2
966 95 95 LYS HD2 H 1.577 0.02 2
967 95 95 LYS HD3 H 1.469 0.02 2
968 95 95 LYS HE2 H 2.868 0.02 2
969 95 95 LYS HE3 H 2.868 0.02 2
970 95 95 LYS HG2 H 1.104 0.02 2
971 95 95 LYS HG3 H 1.220 0.02 2
972 95 95 LYS CA C 61.241 0.1 1
973 95 95 LYS CB C 30.700 0.1 1
974 95 95 LYS CD C 29.410 0.1 1
975 95 95 LYS CE C 42.358 0.1 1
976 95 95 LYS CG C 24.878 0.1 1
977 95 95 LYS N N 126.352 0.1 1
978 96 96 SER H H 10.076 0.02 1
979 96 96 SER HA H 4.672 0.02 1
980 96 96 SER HB2 H 4.105 0.02 2
981 96 96 SER HB3 H 3.780 0.02 2
982 96 96 SER CA C 59.500 0.1 1
983 96 96 SER CB C 62.100 0.1 1
984 96 96 SER N N 114.865 0.1 1
985 97 97 GLY H H 7.509 0.02 1
986 97 97 GLY HA2 H 3.744 0.02 2
987 97 97 GLY HA3 H 3.164 0.02 2
988 97 97 GLY CA C 45.667 0.1 1
989 97 97 GLY N N 108.967 0.1 1
990 98 98 GLY H H 9.096 0.02 1
991 98 98 GLY HA2 H 4.031 0.02 2
992 98 98 GLY HA3 H 4.308 0.02 2
993 98 98 GLY CA C 44.394 0.1 1
994 98 98 GLY N N 112.529 0.1 1
995 99 99 ASP H H 8.567 0.02 1
996 99 99 ASP HA H 4.498 0.02 1
997 99 99 ASP HB2 H 2.698 0.02 2
998 99 99 ASP HB3 H 2.698 0.02 2
999 99 99 ASP CA C 58.543 0.1 1
1000 99 99 ASP CB C 41.210 0.1 1
1001 99 99 ASP N N 119.266 0.1 1
1002 100 100 ARG H H 8.613 0.02 1
1003 100 100 ARG HA H 3.973 0.02 1
1004 100 100 ARG HB2 H 1.360 0.02 2
1005 100 100 ARG HB3 H 1.299 0.02 2
1006 100 100 ARG HD2 H 2.665 0.02 2
1007 100 100 ARG HD3 H 1.724 0.02 2
1008 100 100 ARG HE H 6.931 0.02 1
1009 100 100 ARG HG2 H 1.291 0.02 2
1010 100 100 ARG HG3 H 1.361 0.02 2
1011 100 100 ARG CA C 59.500 0.1 1
1012 100 100 ARG CB C 29.700 0.1 1
1013 100 100 ARG CD C 43.329 0.1 1
1014 100 100 ARG CG C 25.849 0.1 1
1015 100 100 ARG N N 116.042 0.1 1
1016 100 100 ARG NE N 85.970 0.1 1
1017 101 101 TYR H H 6.822 0.02 1
1018 101 101 TYR HA H 4.159 0.02 1
1019 101 101 TYR HB2 H 3.087 0.02 2
1020 101 101 TYR HB3 H 2.323 0.02 2
1021 101 101 TYR HD1 H 7.118 0.011 1
1022 101 101 TYR HD2 H 7.118 0.011 1
1023 101 101 TYR HE1 H 6.379 0.02 1
1024 101 101 TYR HE2 H 6.379 0.02 1
1025 101 101 TYR HH H 10.498 0.02 1
1026 101 101 TYR CA C 61.100 0.1 1
1027 101 101 TYR CB C 37.745 0.1 1
1028 101 101 TYR CD1 C 133.561 0.086 1
1029 101 101 TYR CE1 C 117.967 0.1 1
1030 101 101 TYR N N 117.929 0.1 1
1031 102 102 TYR H H 7.564 0.02 1
1032 102 102 TYR HA H 3.783 0.02 1
1033 102 102 TYR HB2 H 2.791 0.02 2
1034 102 102 TYR HB3 H 3.268 0.02 2
1035 102 102 TYR HD1 H 7.124 0.014 1
1036 102 102 TYR HD2 H 7.124 0.014 1
1037 102 102 TYR HE1 H 6.836 0.02 1
1038 102 102 TYR HE2 H 6.836 0.02 1
1039 102 102 TYR CA C 62.157 0.1 1
1040 102 102 TYR CB C 36.400 0.1 1
1041 102 102 TYR CD1 C 133.645 0.132 1
1042 102 102 TYR CE1 C 117.837 0.084 1
1043 102 102 TYR N N 118.729 0.1 1
1044 103 103 LYS H H 8.185 0.02 1
1045 103 103 LYS HA H 4.216 0.02 1
1046 103 103 LYS HB2 H 1.911 0.02 2
1047 103 103 LYS HB3 H 1.911 0.02 2
1048 103 103 LYS HD2 H 1.793 0.02 2
1049 103 103 LYS HD3 H 1.793 0.02 2
1050 103 103 LYS HE2 H 3.074 0.02 2
1051 103 103 LYS HE3 H 3.074 0.02 2
1052 103 103 LYS HG2 H 1.643 0.02 2
1053 103 103 LYS HG3 H 1.643 0.02 2
1054 103 103 LYS CA C 58.900 0.1 1
1055 103 103 LYS CB C 32.509 0.1 1
1056 103 103 LYS CD C 29.100 0.1 1
1057 103 103 LYS CE C 42.666 0.1 1
1058 103 103 LYS CG C 25.850 0.1 1
1059 103 103 LYS N N 119.675 0.1 1
1060 104 104 ALA H H 7.585 0.02 1
1061 104 104 ALA HA H 4.015 0.02 1
1062 104 104 ALA HB H 1.561 0.02 1
1063 104 104 ALA CA C 55.608 0.1 1
1064 104 104 ALA CB C 18.666 0.1 1
1065 104 104 ALA N N 124.279 0.1 1
1066 105 105 GLU H H 8.627 0.02 1
1067 105 105 GLU HA H 3.673 0.02 1
1068 105 105 GLU HB2 H 1.712 0.02 2
1069 105 105 GLU HB3 H 2.051 0.02 2
1070 105 105 GLU HG2 H 2.314 0.02 2
1071 105 105 GLU HG3 H 2.194 0.02 2
1072 105 105 GLU CA C 60.454 0.1 1
1073 105 105 GLU CB C 30.700 0.1 1
1074 105 105 GLU CG C 38.400 0.1 1
1075 105 105 GLU N N 120.068 0.1 1
1076 106 106 ASP H H 7.815 0.02 1
1077 106 106 ASP HA H 4.570 0.02 1
1078 106 106 ASP HB2 H 2.662 0.02 2
1079 106 106 ASP HB3 H 2.846 0.02 2
1080 106 106 ASP CA C 57.920 0.1 1
1081 106 106 ASP CB C 40.414 0.1 1
1082 106 106 ASP N N 118.935 0.1 1
1083 107 107 ASN H H 8.446 0.02 1
1084 107 107 ASN HA H 4.572 0.02 1
1085 107 107 ASN HB2 H 3.163 0.02 2
1086 107 107 ASN HB3 H 2.646 0.02 2
1087 107 107 ASN HD21 H 7.978 0.02 2
1088 107 107 ASN HD22 H 5.868 0.02 2
1089 107 107 ASN CA C 55.460 0.1 1
1090 107 107 ASN CB C 37.800 0.1 1
1091 107 107 ASN N N 121.657 0.1 1
1092 107 107 ASN ND2 N 109.110 0.1 1
1093 108 108 ALA H H 8.809 0.02 1
1094 108 108 ALA HA H 4.017 0.02 1
1095 108 108 ALA HB H 1.697 0.02 1
1096 108 108 ALA CA C 55.408 0.1 1
1097 108 108 ALA CB C 17.766 0.1 1
1098 108 108 ALA N N 123.695 0.1 1
1099 109 109 VAL H H 7.860 0.02 1
1100 109 109 VAL HA H 3.166 0.02 1
1101 109 109 VAL HB H 2.489 0.02 1
1102 109 109 VAL HG1 H 0.574 0.02 2
1103 109 109 VAL HG2 H 0.964 0.02 2
1104 109 109 VAL CA C 66.964 0.1 1
1105 109 109 VAL CB C 31.845 0.1 1
1106 109 109 VAL CG1 C 20.966 0.1 1
1107 109 109 VAL CG2 C 23.900 0.1 1
1108 109 109 VAL N N 120.160 0.1 1
1109 110 110 ASP H H 6.750 0.02 1
1110 110 110 ASP HA H 4.327 0.02 1
1111 110 110 ASP HB2 H 2.949 0.02 2
1112 110 110 ASP HB3 H 2.839 0.02 2
1113 110 110 ASP CA C 57.608 0.1 1
1114 110 110 ASP CB C 42.358 0.1 1
1115 110 110 ASP N N 118.188 0.1 1
1116 111 111 VAL H H 7.798 0.02 1
1117 111 111 VAL HA H 3.536 0.02 1
1118 111 111 VAL HB H 2.199 0.02 1
1119 111 111 VAL HG1 H 0.991 0.02 2
1120 111 111 VAL HG2 H 0.913 0.02 2
1121 111 111 VAL CA C 67.234 0.1 1
1122 111 111 VAL CB C 32.300 0.1 1
1123 111 111 VAL CG1 C 23.670 0.1 1
1124 111 111 VAL CG2 C 21.594 0.1 1
1125 111 111 VAL N N 119.182 0.070 1
1126 112 112 VAL H H 9.041 0.02 1
1127 112 112 VAL HA H 3.542 0.02 1
1128 112 112 VAL HB H 2.321 0.02 1
1129 112 112 VAL HG1 H 1.031 0.02 2
1130 112 112 VAL HG2 H 1.227 0.02 2
1131 112 112 VAL CA C 68.665 0.1 1
1132 112 112 VAL CB C 31.400 0.1 1
1133 112 112 VAL CG1 C 23.554 0.1 1
1134 112 112 VAL CG2 C 24.136 0.1 1
1135 112 112 VAL N N 119.777 0.1 1
1136 113 113 ARG H H 8.421 0.02 1
1137 113 113 ARG HA H 4.082 0.02 1
1138 113 113 ARG HB2 H 2.013 0.02 2
1139 113 113 ARG HB3 H 2.013 0.02 2
1140 113 113 ARG HD2 H 3.224 0.02 2
1141 113 113 ARG HD3 H 3.338 0.02 2
1142 113 113 ARG HE H 7.216 0.02 1
1143 113 113 ARG HG2 H 1.793 0.02 2
1144 113 113 ARG HG3 H 1.793 0.02 2
1145 113 113 ARG CA C 60.485 0.1 1
1146 113 113 ARG CB C 30.381 0.1 1
1147 113 113 ARG CD C 43.977 0.1 1
1148 113 113 ARG CG C 29.086 0.1 1
1149 113 113 ARG N N 119.554 0.1 1
1150 113 113 ARG NE N 82.672 0.1 1
1151 114 114 GLN H H 8.207 0.02 1
1152 114 114 GLN HA H 4.107 0.02 1
1153 114 114 GLN HB2 H 2.191 0.02 2
1154 114 114 GLN HB3 H 2.342 0.02 2
1155 114 114 GLN HE21 H 7.309 0.02 2
1156 114 114 GLN HE22 H 7.186 0.02 2
1157 114 114 GLN HG2 H 2.351 0.02 2
1158 114 114 GLN HG3 H 2.646 0.02 2
1159 114 114 GLN CA C 60.162 0.1 1
1160 114 114 GLN CB C 29.410 0.1 1
1161 114 114 GLN CG C 35.237 0.1 1
1162 114 114 GLN N N 119.331 0.1 1
1163 114 114 GLN NE2 N 111.963 0.1 1
1164 115 115 LEU H H 8.329 0.02 1
1165 115 115 LEU HA H 4.197 0.02 1
1166 115 115 LEU HB2 H 2.251 0.02 2
1167 115 115 LEU HB3 H 1.244 0.02 2
1168 115 115 LEU HD1 H 0.953 0.02 2
1169 115 115 LEU HD2 H 0.806 0.02 2
1170 115 115 LEU HG H 2.167 0.02 1
1171 115 115 LEU CA C 58.220 0.1 1
1172 115 115 LEU CB C 43.329 0.1 1
1173 115 115 LEU CD1 C 22.936 0.1 1
1174 115 115 LEU CD2 C 27.144 0.1 1
1175 115 115 LEU CG C 26.173 0.1 1
1176 115 115 LEU N N 120.956 0.1 1
1177 116 116 MET H H 8.661 0.02 1
1178 116 116 MET HA H 3.879 0.02 1
1179 116 116 MET HB2 H 2.181 0.02 2
1180 116 116 MET HB3 H 2.450 0.02 2
1181 116 116 MET HE H 1.967 0.02 1
1182 116 116 MET HG2 H 2.530 0.02 2
1183 116 116 MET HG3 H 2.308 0.02 2
1184 116 116 MET CA C 60.485 0.1 1
1185 116 116 MET CB C 34.613 0.1 1
1186 116 116 MET CE C 15.452 0.1 1
1187 116 116 MET CG C 31.029 0.1 1
1188 116 116 MET N N 118.386 0.1 1
1189 117 117 SER H H 7.588 0.02 1
1190 117 117 SER HA H 4.339 0.02 1
1191 117 117 SER HB2 H 3.992 0.02 2
1192 117 117 SER HB3 H 3.992 0.02 2
1193 117 117 SER CA C 60.809 0.1 1
1194 117 117 SER CB C 63.722 0.1 1
1195 117 117 SER N N 112.324 0.1 1
1196 118 118 MET H H 8.055 0.02 1
1197 118 118 MET HA H 3.857 0.02 1
1198 118 118 MET HB2 H 1.987 0.02 2
1199 118 118 MET HB3 H 1.548 0.02 2
1200 118 118 MET HE H 2.028 0.02 1
1201 118 118 MET HG2 H 2.090 0.02 2
1202 118 118 MET HG3 H 2.458 0.02 2
1203 118 118 MET CA C 59.300 0.1 1
1204 118 118 MET CB C 34.900 0.1 1
1205 118 118 MET CE C 16.746 0.1 1
1206 118 118 MET CG C 32.049 0.1 1
1207 118 118 MET N N 120.185 0.1 1
1208 119 119 TYR H H 7.303 0.02 1
1209 119 119 TYR HA H 4.636 0.02 1
1210 119 119 TYR HB2 H 2.323 0.02 2
1211 119 119 TYR HB3 H 3.393 0.02 2
1212 119 119 TYR HD1 H 7.112 0.02 1
1213 119 119 TYR HD2 H 7.112 0.02 1
1214 119 119 TYR HE1 H 6.720 0.02 1
1215 119 119 TYR HE2 H 6.720 0.02 1
1216 119 119 TYR CA C 58.900 0.1 1
1217 119 119 TYR CB C 39.850 0.1 1
1218 119 119 TYR CD1 C 132.973 0.1 1
1219 119 119 TYR CE1 C 118.231 0.1 1
1220 119 119 TYR N N 111.777 0.1 1
1221 120 120 ASN H H 7.730 0.02 1
1222 120 120 ASN HA H 4.395 0.02 1
1223 120 120 ASN HB2 H 2.758 0.02 2
1224 120 120 ASN HB3 H 3.111 0.02 2
1225 120 120 ASN CA C 54.618 0.1 1
1226 120 120 ASN CB C 36.925 0.1 1
1227 120 120 ASN N N 120.782 0.1 1
1228 121 121 ILE H H 8.034 0.02 1
1229 121 121 ILE HA H 4.438 0.02 1
1230 121 121 ILE HB H 1.527 0.02 1
1231 121 121 ILE HD1 H 0.514 0.02 1
1232 121 121 ILE HG12 H 0.747 0.02 2
1233 121 121 ILE HG13 H 1.466 0.02 2
1234 121 121 ILE HG2 H 0.935 0.02 1
1235 121 121 ILE CA C 58.543 0.1 1
1236 121 121 ILE CB C 41.387 0.1 1
1237 121 121 ILE CD1 C 13.349 0.1 1
1238 121 121 ILE CG1 C 28.139 0.1 1
1239 121 121 ILE CG2 C 16.486 0.1 1
1240 121 121 ILE N N 121.289 0.1 1
1241 122 122 PRO HA H 4.642 0.02 1
1242 122 122 PRO HB2 H 2.418 0.02 2
1243 122 122 PRO HB3 H 2.262 0.02 2
1244 122 122 PRO HD2 H 3.734 0.02 2
1245 122 122 PRO HD3 H 3.946 0.02 2
1246 122 122 PRO HG2 H 1.687 0.02 2
1247 122 122 PRO HG3 H 2.091 0.02 2
1248 122 122 PRO CA C 62.505 0.1 1
1249 122 122 PRO CB C 32.796 0.1 1
1250 122 122 PRO CD C 51.422 0.1 1
1251 122 122 PRO CG C 27.150 0.1 1
1252 123 123 ILE H H 8.762 0.02 1
1253 123 123 ILE HA H 4.082 0.02 1
1254 123 123 ILE HB H 1.857 0.02 1
1255 123 123 ILE HD1 H 0.936 0.02 1
1256 123 123 ILE HG12 H 1.433 0.02 2
1257 123 123 ILE HG13 H 1.229 0.02 2
1258 123 123 ILE HG2 H 0.989 0.02 1
1259 123 123 ILE CA C 61.842 0.1 1
1260 123 123 ILE CB C 38.833 0.1 1
1261 123 123 ILE CD1 C 15.101 0.1 1
1262 123 123 ILE CG1 C 29.622 0.1 1
1263 123 123 ILE CG2 C 19.066 0.1 1
1264 123 123 ILE N N 121.370 0.1 1
1265 124 124 GLU H H 9.319 0.02 1
1266 124 124 GLU HA H 4.341 0.02 1
1267 124 124 GLU HB2 H 2.104 0.02 2
1268 124 124 GLU HB3 H 2.157 0.02 2
1269 124 124 GLU HG2 H 2.367 0.02 2
1270 124 124 GLU HG3 H 2.484 0.02 2
1271 124 124 GLU CA C 59.200 0.1 1
1272 124 124 GLU CB C 28.200 0.1 1
1273 124 124 GLU CG C 36.549 0.1 1
1274 124 124 GLU N N 120.993 0.1 1
1275 125 125 ASN H H 8.513 0.02 1
1276 125 125 ASN HA H 4.885 0.02 1
1277 125 125 ASN HB2 H 2.916 0.02 2
1278 125 125 ASN HB3 H 3.752 0.02 2
1279 125 125 ASN HD21 H 6.574 0.02 2
1280 125 125 ASN HD22 H 6.871 0.02 2
1281 125 125 ASN CA C 53.116 0.1 1
1282 125 125 ASN CB C 38.291 0.1 1
1283 125 125 ASN N N 121.886 0.1 1
1284 125 125 ASN ND2 N 107.759 0.1 1
1285 126 126 VAL H H 7.645 0.02 1
1286 126 126 VAL HA H 4.918 0.02 1
1287 126 126 VAL HB H 2.445 0.02 1
1288 126 126 VAL HG1 H 1.072 0.02 2
1289 126 126 VAL HG2 H 1.051 0.02 2
1290 126 126 VAL CA C 63.821 0.1 1
1291 126 126 VAL CB C 30.870 0.1 1
1292 126 126 VAL CG1 C 22.141 0.1 1
1293 126 126 VAL CG2 C 21.891 0.1 1
1294 126 126 VAL N N 124.550 0.1 1
1295 127 127 ARG H H 9.723 0.02 1
1296 127 127 ARG HA H 5.193 0.02 1
1297 127 127 ARG HB2 H 1.538 0.02 2
1298 127 127 ARG HB3 H 1.538 0.02 2
1299 127 127 ARG HD2 H 2.821 0.02 2
1300 127 127 ARG HD3 H 3.147 0.02 2
1301 127 127 ARG HE H 7.473 0.02 1
1302 127 127 ARG HG2 H 1.468 0.02 2
1303 127 127 ARG HG3 H 1.468 0.02 2
1304 127 127 ARG CA C 53.076 0.1 1
1305 127 127 ARG CB C 34.408 0.1 1
1306 127 127 ARG CD C 42.400 0.1 1
1307 127 127 ARG CG C 27.140 0.1 1
1308 127 127 ARG N N 125.128 0.1 1
1309 127 127 ARG NE N 83.386 0.1 1
1310 128 128 THR H H 7.913 0.02 1
1311 128 128 THR HA H 3.987 0.02 1
1312 128 128 THR HB H 4.271 0.02 1
1313 128 128 THR HG2 H -0.369 0.02 1
1314 128 128 THR CA C 60.040 0.1 1
1315 128 128 THR CB C 70.399 0.1 1
1316 128 128 THR CG2 C 19.409 0.1 1
1317 128 128 THR N N 108.576 0.1 1
1318 129 129 HIS H H 6.541 0.02 1
1319 129 129 HIS HA H 4.396 0.02 1
1320 129 129 HIS HB2 H 2.511 0.02 2
1321 129 129 HIS HB3 H 3.447 0.02 2
1322 129 129 HIS HD2 H 7.786 0.02 1
1323 129 129 HIS HE1 H 8.243 0.02 1
1324 129 129 HIS CA C 57.978 0.1 1
1325 129 129 HIS CB C 30.700 0.1 1
1326 129 129 HIS CD2 C 118.325 0.1 1
1327 129 129 HIS CE1 C 142.128 0.1 1
1328 129 129 HIS N N 122.716 0.1 1
1329 130 130 GLN H H 8.386 0.02 1
1330 130 130 GLN HA H 4.262 0.02 1
1331 130 130 GLN HB2 H 1.819 0.02 2
1332 130 130 GLN HB3 H 2.012 0.02 2
1333 130 130 GLN HE21 H 7.820 0.02 2
1334 130 130 GLN HE22 H 6.707 0.02 2
1335 130 130 GLN HG2 H 2.004 0.02 2
1336 130 130 GLN HG3 H 2.004 0.02 2
1337 130 130 GLN CA C 60.160 0.1 1
1338 130 130 GLN CB C 29.823 0.1 1
1339 130 130 GLN CG C 33.618 0.1 1
1340 130 130 GLN N N 120.620 0.1 1
1341 130 130 GLN NE2 N 112.409 0.1 1
1342 131 131 SER H H 7.969 0.02 1
1343 131 131 SER HA H 3.953 0.02 1
1344 131 131 SER HB2 H 3.683 0.02 2
1345 131 131 SER HB3 H 3.543 0.02 2
1346 131 131 SER CA C 61.505 0.1 1
1347 131 131 SER CB C 62.792 0.1 1
1348 131 131 SER N N 115.263 0.1 1
1349 132 132 TRP H H 7.505 0.02 1
1350 132 132 TRP HA H 5.207 0.02 1
1351 132 132 TRP HB2 H 3.341 0.02 2
1352 132 132 TRP HB3 H 3.485 0.02 2
1353 132 132 TRP HD1 H 6.934 0.02 1
1354 132 132 TRP HE1 H 10.573 0.02 1
1355 132 132 TRP HE3 H 7.744 0.02 1
1356 132 132 TRP HH2 H 5.238 0.02 1
1357 132 132 TRP HZ2 H 6.373 0.02 1
1358 132 132 TRP HZ3 H 6.781 0.02 1
1359 132 132 TRP CA C 57.619 0.1 1
1360 132 132 TRP CB C 31.700 0.1 1
1361 132 132 TRP CD1 C 127.945 0.1 1
1362 132 132 TRP CE3 C 122.144 0.1 1
1363 132 132 TRP CH2 C 124.778 0.1 1
1364 132 132 TRP CZ2 C 113.027 0.1 1
1365 132 132 TRP CZ3 C 122.123 0.1 1
1366 132 132 TRP N N 119.580 0.1 1
1367 132 132 TRP NE1 N 130.132 0.1 1
1368 133 133 SER H H 7.383 0.02 1
1369 133 133 SER HA H 5.044 0.02 1
1370 133 133 SER HB2 H 3.920 0.02 2
1371 133 133 SER HB3 H 4.337 0.02 2
1372 133 133 SER CA C 58.365 0.1 1
1373 133 133 SER CB C 67.074 0.1 1
1374 133 133 SER N N 107.268 0.1 1
1375 134 134 GLY H H 9.101 0.02 1
1376 134 134 GLY HA2 H 4.431 0.02 2
1377 134 134 GLY HA3 H 3.700 0.02 2
1378 134 134 GLY CA C 45.976 0.1 1
1379 134 134 GLY N N 112.864 0.1 1
1380 135 135 LYS H H 6.692 0.02 1
1381 135 135 LYS HA H 4.051 0.02 1
1382 135 135 LYS HB2 H 1.400 0.02 2
1383 135 135 LYS HB3 H 0.704 0.02 2
1384 135 135 LYS HD2 H 1.683 0.02 2
1385 135 135 LYS HD3 H 1.486 0.02 2
1386 135 135 LYS HE2 H 3.038 0.02 2
1387 135 135 LYS HE3 H 3.038 0.02 2
1388 135 135 LYS HG2 H 1.197 0.02 2
1389 135 135 LYS HG3 H 1.052 0.02 2
1390 135 135 LYS CA C 55.944 0.1 1
1391 135 135 LYS CB C 32.496 0.1 1
1392 135 135 LYS CD C 29.174 0.1 1
1393 135 135 LYS CE C 42.200 0.1 1
1394 135 135 LYS CG C 24.800 0.1 1
1395 135 135 LYS N N 122.559 0.1 1
1396 136 136 TYR H H 8.783 0.02 1
1397 136 136 TYR HA H 4.111 0.02 1
1398 136 136 TYR HB2 H 3.257 0.02 2
1399 136 136 TYR HB3 H 2.787 0.02 2
1400 136 136 TYR HD1 H 7.128 0.010 1
1401 136 136 TYR HD2 H 7.128 0.010 1
1402 136 136 TYR HE1 H 6.837 0.02 1
1403 136 136 TYR HE2 H 6.837 0.02 1
1404 136 136 TYR CA C 58.892 0.1 1
1405 136 136 TYR CB C 35.889 0.1 1
1406 136 136 TYR CD1 C 133.677 0.122 1
1407 136 136 TYR CE1 C 118.506 0.1 1
1408 136 136 TYR N N 128.444 0.1 1
1409 137 137 CYS H H 8.102 0.02 1
1410 137 137 CYS HA H 5.227 0.02 1
1411 137 137 CYS HB2 H 3.152 0.02 2
1412 137 137 CYS HB3 H 1.952 0.02 2
1413 137 137 CYS CA C 54.659 0.1 1
1414 137 137 CYS CB C 31.352 0.1 1
1415 137 137 CYS N N 129.440 0.1 1
1416 138 138 PRO HA H 5.137 0.02 1
1417 138 138 PRO HB2 H 1.733 0.02 2
1418 138 138 PRO HB3 H 1.918 0.02 2
1419 138 138 PRO HD2 H 3.075 0.02 2
1420 138 138 PRO HD3 H 3.545 0.02 2
1421 138 138 PRO HG2 H 2.091 0.02 2
1422 138 138 PRO HG3 H 1.937 0.02 2
1423 138 138 PRO CA C 61.950 0.1 1
1424 138 138 PRO CB C 34.600 0.1 1
1425 138 138 PRO CD C 50.451 0.1 1
1426 138 138 PRO CG C 27.144 0.1 1
1427 139 139 HIS H H 9.570 0.02 1
1428 139 139 HIS HA H 3.693 0.02 1
1429 139 139 HIS HB2 H 3.330 0.02 2
1430 139 139 HIS HB3 H 3.575 0.02 2
1431 139 139 HIS HE1 H 7.540 0.02 1
1432 139 139 HIS CA C 60.800 0.1 1
1433 139 139 HIS CB C 27.744 0.1 1
1434 139 139 HIS CE1 C 138.559 0.1 1
1435 139 139 HIS N N 128.438 0.1 1
1436 140 140 ARG H H 7.145 0.02 1
1437 140 140 ARG HA H 3.811 0.02 1
1438 140 140 ARG HB2 H 0.747 0.02 2
1439 140 140 ARG HB3 H 0.961 0.02 2
1440 140 140 ARG HD2 H 2.870 0.02 2
1441 140 140 ARG HD3 H 1.224 0.02 2
1442 140 140 ARG HE H 7.116 0.02 1
1443 140 140 ARG HG2 H 1.305 0.02 2
1444 140 140 ARG HG3 H 0.845 0.02 2
1445 140 140 ARG CA C 59.200 0.1 1
1446 140 140 ARG CB C 28.763 0.1 1
1447 140 140 ARG CD C 42.034 0.1 1
1448 140 140 ARG CG C 28.115 0.1 1
1449 140 140 ARG N N 122.261 0.1 1
1450 140 140 ARG NE N 83.098 0.1 1
1451 141 141 MET H H 6.651 0.02 1
1452 141 141 MET HA H 3.834 0.02 1
1453 141 141 MET HB2 H 1.961 0.02 2
1454 141 141 MET HB3 H 1.961 0.02 2
1455 141 141 MET HE H 1.373 0.02 1
1456 141 141 MET HG2 H 2.552 0.02 2
1457 141 141 MET HG3 H 2.868 0.02 2
1458 141 141 MET CA C 59.836 0.1 1
1459 141 141 MET CB C 34.254 0.1 1
1460 141 141 MET CE C 17.717 0.1 1
1461 141 141 MET CG C 32.730 0.1 1
1462 141 141 MET N N 115.595 0.1 1
1463 142 142 LEU H H 7.988 0.02 1
1464 142 142 LEU HA H 4.167 0.02 1
1465 142 142 LEU HB2 H 1.197 0.02 2
1466 142 142 LEU HB3 H 1.082 0.02 2
1467 142 142 LEU HD1 H -0.136 0.02 2
1468 142 142 LEU HD2 H 0.552 0.02 2
1469 142 142 LEU HG H 1.329 0.02 1
1470 142 142 LEU CA C 57.500 0.1 1
1471 142 142 LEU CB C 41.232 0.1 1
1472 142 142 LEU CD1 C 24.900 0.1 1
1473 142 142 LEU CD2 C 21.653 0.1 1
1474 142 142 LEU CG C 26.500 0.1 1
1475 142 142 LEU N N 116.947 0.1 1
1476 143 143 ALA H H 8.337 0.02 1
1477 143 143 ALA HA H 4.181 0.02 1
1478 143 143 ALA HB H 1.729 0.02 1
1479 143 143 ALA CA C 56.057 0.1 1
1480 143 143 ALA CB C 19.366 0.1 1
1481 143 143 ALA N N 124.281 0.1 1
1482 144 144 GLU H H 7.914 0.02 1
1483 144 144 GLU HA H 4.431 0.02 1
1484 144 144 GLU HB2 H 1.859 0.02 2
1485 144 144 GLU HB3 H 2.438 0.02 2
1486 144 144 GLU HG2 H 2.357 0.02 2
1487 144 144 GLU HG3 H 2.622 0.02 2
1488 144 144 GLU CA C 56.306 0.1 1
1489 144 144 GLU CB C 30.060 0.1 1
1490 144 144 GLU CG C 37.500 0.1 1
1491 144 144 GLU N N 112.333 0.1 1
1492 145 145 GLY H H 7.711 0.02 1
1493 145 145 GLY HA2 H 4.270 0.02 2
1494 145 145 GLY HA3 H 4.062 0.02 2
1495 145 145 GLY CA C 47.964 0.1 1
1496 145 145 GLY N N 110.049 0.1 1
1497 146 146 ARG H H 8.737 0.02 1
1498 146 146 ARG HA H 4.556 0.02 1
1499 146 146 ARG HB2 H 2.597 0.02 2
1500 146 146 ARG HB3 H 1.587 0.02 2
1501 146 146 ARG HD2 H 3.060 0.02 2
1502 146 146 ARG HD3 H 3.060 0.02 2
1503 146 146 ARG HE H 9.661 0.02 1
1504 146 146 ARG HG2 H 1.808 0.02 2
1505 146 146 ARG HG3 H 1.808 0.02 2
1506 146 146 ARG CA C 57.076 0.1 1
1507 146 146 ARG CB C 33.491 0.1 1
1508 146 146 ARG CD C 43.086 0.1 1
1509 146 146 ARG CG C 28.705 0.1 1
1510 146 146 ARG N N 116.016 0.1 1
1511 146 146 ARG NE N 83.058 0.1 1
1512 147 147 TRP H H 8.560 0.02 1
1513 147 147 TRP HA H 4.445 0.02 1
1514 147 147 TRP HB2 H 3.012 0.02 2
1515 147 147 TRP HB3 H 3.330 0.02 2
1516 147 147 TRP HD1 H 7.150 0.02 1
1517 147 147 TRP HE1 H 10.225 0.02 1
1518 147 147 TRP HE3 H 7.208 0.02 1
1519 147 147 TRP HH2 H 6.776 0.02 1
1520 147 147 TRP HZ2 H 7.391 0.02 1
1521 147 147 TRP HZ3 H 6.378 0.02 1
1522 147 147 TRP CA C 61.100 0.1 1
1523 147 147 TRP CB C 30.056 0.1 1
1524 147 147 TRP CD1 C 127.002 0.1 1
1525 147 147 TRP CE3 C 120.323 0.1 1
1526 147 147 TRP CH2 C 123.161 0.1 1
1527 147 147 TRP CZ2 C 115.662 0.1 1
1528 147 147 TRP CZ3 C 120.397 0.1 1
1529 147 147 TRP N N 122.721 0.1 1
1530 147 147 TRP NE1 N 129.181 0.1 1
1531 148 148 GLY H H 8.520 0.02 1
1532 148 148 GLY HA2 H 3.603 0.02 2
1533 148 148 GLY HA3 H 3.893 0.02 2
1534 148 148 GLY CA C 47.500 0.1 1
1535 148 148 GLY N N 105.678 0.1 1
1536 149 149 ALA H H 8.340 0.02 1
1537 149 149 ALA HA H 4.089 0.02 1
1538 149 149 ALA HB H 1.445 0.02 1
1539 149 149 ALA CA C 54.733 0.1 1
1540 149 149 ALA CB C 18.366 0.1 1
1541 149 149 ALA N N 124.538 0.1 1
1542 150 150 PHE H H 7.922 0.02 1
1543 150 150 PHE HA H 3.940 0.02 1
1544 150 150 PHE HB2 H 2.965 0.02 2
1545 150 150 PHE HB3 H 2.965 0.02 2
1546 150 150 PHE HD1 H 6.559 0.02 1
1547 150 150 PHE HD2 H 6.559 0.02 1
1548 150 150 PHE HE1 H 7.054 0.02 1
1549 150 150 PHE HE2 H 7.054 0.02 1
1550 150 150 PHE HZ H 6.769 0.02 1
1551 150 150 PHE CA C 62.000 0.1 1
1552 150 150 PHE CB C 39.400 0.1 1
1553 150 150 PHE CD1 C 132.890 0.1 1
1554 150 150 PHE CE1 C 131.073 0.1 1
1555 150 150 PHE CZ C 127.595 0.1 1
1556 150 150 PHE N N 122.390 0.1 1
1557 151 151 ILE H H 7.821 0.02 1
1558 151 151 ILE HA H 3.326 0.02 1
1559 151 151 ILE HB H 1.941 0.02 1
1560 151 151 ILE HD1 H 0.478 0.02 1
1561 151 151 ILE HG12 H 0.719 0.02 2
1562 151 151 ILE HG13 H 0.995 0.02 2
1563 151 151 ILE HG2 H 0.728 0.02 1
1564 151 151 ILE CA C 61.157 0.1 1
1565 151 151 ILE CB C 35.400 0.1 1
1566 151 151 ILE CD1 C 8.717 0.1 1
1567 151 151 ILE CG1 C 26.173 0.1 1
1568 151 151 ILE CG2 C 17.133 0.1 1
1569 151 151 ILE N N 118.939 0.1 1
1570 152 152 GLN H H 7.778 0.02 1
1571 152 152 GLN N N 118.642 0.1 1
1572 153 153 LYS H H 7.822 0.02 1
1573 153 153 LYS HA H 3.934 0.02 1
1574 153 153 LYS HB2 H 1.854 0.02 2
1575 153 153 LYS HB3 H 1.710 0.02 2
1576 153 153 LYS HD2 H 1.743 0.02 2
1577 153 153 LYS HD3 H 1.641 0.02 2
1578 153 153 LYS HE2 H 2.894 0.02 2
1579 153 153 LYS HE3 H 2.894 0.02 2
1580 153 153 LYS HG2 H 1.371 0.02 2
1581 153 153 LYS HG3 H 1.371 0.02 2
1582 153 153 LYS CA C 59.800 0.1 1
1583 153 153 LYS CB C 33.200 0.1 1
1584 153 153 LYS CD C 30.380 0.1 1
1585 153 153 LYS CE C 42.358 0.1 1
1586 153 153 LYS CG C 26.603 0.1 1
1587 153 153 LYS N N 120.127 0.1 1
1588 154 154 VAL H H 8.005 0.02 1
1589 154 154 VAL HA H 3.175 0.02 1
1590 154 154 VAL HB H 2.020 0.02 1
1591 154 154 VAL HG1 H 0.755 0.02 2
1592 154 154 VAL HG2 H 0.431 0.02 2
1593 154 154 VAL CA C 66.363 0.1 1
1594 154 154 VAL CB C 31.528 0.1 1
1595 154 154 VAL CG1 C 24.500 0.1 1
1596 154 154 VAL CG2 C 23.500 0.1 1
1597 154 154 VAL N N 120.780 0.1 1
1598 155 155 LYS H H 8.156 0.02 1
1599 155 155 LYS HA H 3.839 0.02 1
1600 155 155 LYS HB2 H 1.786 0.02 2
1601 155 155 LYS HB3 H 1.786 0.02 2
1602 155 155 LYS HD2 H 1.634 0.02 2
1603 155 155 LYS HD3 H 1.634 0.02 2
1604 155 155 LYS HE2 H 2.942 0.02 2
1605 155 155 LYS HE3 H 2.942 0.02 2
1606 155 155 LYS HG2 H 1.464 0.02 2
1607 155 155 LYS HG3 H 1.464 0.02 2
1608 155 155 LYS CA C 59.604 0.1 1
1609 155 155 LYS CB C 33.219 0.1 1
1610 155 155 LYS CD C 29.700 0.1 1
1611 155 155 LYS CE C 42.331 0.1 1
1612 155 155 LYS CG C 25.200 0.1 1
1613 155 155 LYS N N 119.150 0.1 1
1614 156 156 ASN H H 8.056 0.02 1
1615 156 156 ASN HA H 4.669 0.02 1
1616 156 156 ASN HB2 H 2.828 0.02 2
1617 156 156 ASN HB3 H 2.828 0.02 2
1618 156 156 ASN HD21 H 6.861 0.02 2
1619 156 156 ASN HD22 H 8.704 0.02 2
1620 156 156 ASN CA C 54.289 0.1 1
1621 156 156 ASN CB C 39.487 0.1 1
1622 156 156 ASN N N 115.301 0.1 1
1623 156 156 ASN ND2 N 116.800 0.1 1
1624 157 157 GLY H H 8.115 0.02 1
1625 157 157 GLY HA2 H 3.752 0.02 2
1626 157 157 GLY HA3 H 3.915 0.02 2
1627 157 157 GLY CA C 45.620 0.1 1
1628 157 157 GLY N N 109.181 0.1 1
1629 158 158 ASN H H 8.287 0.02 1
1630 158 158 ASN HA H 4.709 0.02 1
1631 158 158 ASN HB2 H 2.829 0.02 2
1632 158 158 ASN HB3 H 2.684 0.02 2
1633 158 158 ASN CA C 53.463 0.1 1
1634 158 158 ASN CB C 38.997 0.1 1
1635 158 158 ASN N N 118.652 0.1 1
1636 159 159 VAL H H 7.954 0.02 1
1637 159 159 VAL HA H 4.132 0.02 1
1638 159 159 VAL HB H 2.108 0.02 1
1639 159 159 VAL HG1 H 0.919 0.02 2
1640 159 159 VAL HG2 H 0.915 0.02 2
1641 159 159 VAL CA C 62.456 0.1 1
1642 159 159 VAL CB C 32.793 0.1 1
1643 159 159 VAL CG1 C 21.345 0.1 1
1644 159 159 VAL CG2 C 20.346 0.1 1
1645 159 159 VAL N N 119.916 0.1 1
1646 160 160 ALA H H 8.329 0.02 1
1647 160 160 ALA HA H 4.419 0.02 1
1648 160 160 ALA HB H 1.408 0.02 1
1649 160 160 ALA CA C 52.838 0.1 1
1650 160 160 ALA CB C 19.235 0.1 1
1651 160 160 ALA N N 127.690 0.1 1
1652 161 161 THR H H 8.092 0.02 1
1653 161 161 THR HA H 4.409 0.02 1
1654 161 161 THR HB H 4.240 0.02 1
1655 161 161 THR HG2 H 1.196 0.02 1
1656 161 161 THR CA C 61.936 0.1 1
1657 161 161 THR CB C 70.181 0.1 1
1658 161 161 THR CG2 C 21.955 0.1 1
1659 161 161 THR N N 113.813 0.1 1
1660 162 162 THR H H 8.089 0.02 1
1661 162 162 THR HG2 H 1.179 0.02 1
1662 162 162 THR CG2 C 22.362 0.1 1
1663 162 162 THR N N 116.312 0.1 1
1664 163 163 SER H H 8.299 0.02 1
1665 163 163 SER HA H 4.814 0.02 1
1666 163 163 SER HB2 H 3.907 0.02 2
1667 163 163 SER HB3 H 3.828 0.02 2
1668 163 163 SER CA C 56.925 0.1 1
1669 163 163 SER CB C 63.722 0.1 1
1670 163 163 SER N N 119.924 0.1 1
1671 164 164 PRO HA H 4.521 0.02 1
1672 164 164 PRO HB2 H 2.301 0.02 2
1673 164 164 PRO HB3 H 2.033 0.02 2
1674 164 164 PRO HD2 H 3.840 0.02 2
1675 164 164 PRO HD3 H 3.780 0.02 2
1676 164 164 PRO HG2 H 2.050 0.02 2
1677 164 164 PRO HG3 H 2.050 0.02 2
1678 164 164 PRO CA C 63.700 0.1 1
1679 164 164 PRO CB C 32.083 0.1 1
1680 164 164 PRO CD C 50.800 0.1 1
1681 164 164 PRO CG C 27.468 0.1 1
1682 165 165 THR H H 7.712 0.02 1
1683 165 165 THR HA H 4.161 0.02 1
1684 165 165 THR HB H 4.237 0.02 1
1685 165 165 THR HG2 H 1.182 0.02 1
1686 165 165 THR CA C 63.399 0.1 1
1687 165 165 THR CB C 71.144 0.1 1
1688 165 165 THR CG2 C 22.126 0.1 1
1689 165 165 THR N N 118.888 0.1 1
stop_
save_