data_7022
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Letter to the Editor: 1H, 13C and 15N backbone resonance assignments of DUF589
domain from human HSPC144 protein
;
_BMRB_accession_number 7022
_BMRB_flat_file_name bmr7022.str
_Entry_type original
_Submission_date 2006-03-15
_Accession_date 2006-03-16
_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 Shi Yanhong . .
2 Song Aixin . .
3 Chang Yonggang . .
4 Hu Hongyu . .
5 Lin Donghai . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 731
"13C chemical shifts" 606
"15N chemical shifts" 151
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-02-08 update BMRB 'complete entry citation'
2006-08-07 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
1H, 13C and 15N backbone resonance assignments of the DUF589 domain from
human HSPC144 protein.
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16865415
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Shi Yan-hong . .
2 Song Ai-xin . .
3 Chang Yong-gang . .
4 Hu Hong-yu . .
5 Lin Dong-hai . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 36
_Journal_issue 'Suppl. 5'
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 57
_Page_last 57
_Year 2006
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name DUF589_monomer
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'DUF589 monomer' $DUF589
stop_
_System_molecular_weight 20734
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_DUF589
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common DUF589
_Molecular_mass 20734
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 176
_Mol_residue_sequence
;
MSHWLMKSEPESRLEKGVDV
KFSIEDLKAQPKQTTCWDGV
RNYQARNFLRAMKLGEEAFF
YHSNCKEPGIAGLMKIVKEA
YPDHTQFEKNNPHYDPSSKE
DNPKWSMVDVQFVRMMKRFI
PLAELKSYHQAHKATGGPLK
NMVLFTRQRLSIQPLTQEEF
DFVLSLEELEHHHHHH
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 SER 3 HIS 4 TRP 5 LEU
6 MET 7 LYS 8 SER 9 GLU 10 PRO
11 GLU 12 SER 13 ARG 14 LEU 15 GLU
16 LYS 17 GLY 18 VAL 19 ASP 20 VAL
21 LYS 22 PHE 23 SER 24 ILE 25 GLU
26 ASP 27 LEU 28 LYS 29 ALA 30 GLN
31 PRO 32 LYS 33 GLN 34 THR 35 THR
36 CYS 37 TRP 38 ASP 39 GLY 40 VAL
41 ARG 42 ASN 43 TYR 44 GLN 45 ALA
46 ARG 47 ASN 48 PHE 49 LEU 50 ARG
51 ALA 52 MET 53 LYS 54 LEU 55 GLY
56 GLU 57 GLU 58 ALA 59 PHE 60 PHE
61 TYR 62 HIS 63 SER 64 ASN 65 CYS
66 LYS 67 GLU 68 PRO 69 GLY 70 ILE
71 ALA 72 GLY 73 LEU 74 MET 75 LYS
76 ILE 77 VAL 78 LYS 79 GLU 80 ALA
81 TYR 82 PRO 83 ASP 84 HIS 85 THR
86 GLN 87 PHE 88 GLU 89 LYS 90 ASN
91 ASN 92 PRO 93 HIS 94 TYR 95 ASP
96 PRO 97 SER 98 SER 99 LYS 100 GLU
101 ASP 102 ASN 103 PRO 104 LYS 105 TRP
106 SER 107 MET 108 VAL 109 ASP 110 VAL
111 GLN 112 PHE 113 VAL 114 ARG 115 MET
116 MET 117 LYS 118 ARG 119 PHE 120 ILE
121 PRO 122 LEU 123 ALA 124 GLU 125 LEU
126 LYS 127 SER 128 TYR 129 HIS 130 GLN
131 ALA 132 HIS 133 LYS 134 ALA 135 THR
136 GLY 137 GLY 138 PRO 139 LEU 140 LYS
141 ASN 142 MET 143 VAL 144 LEU 145 PHE
146 THR 147 ARG 148 GLN 149 ARG 150 LEU
151 SER 152 ILE 153 GLN 154 PRO 155 LEU
156 THR 157 GLN 158 GLU 159 GLU 160 PHE
161 ASP 162 PHE 163 VAL 164 LEU 165 SER
166 LEU 167 GLU 168 GLU 169 LEU 170 GLU
171 HIS 172 HIS 173 HIS 174 HIS 175 HIS
176 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 3EOP "Crystal Structure Of The Duf55 Domain Of Human Thymocyte Nuclear Protein 1" 100.00 176 100.00 100.00 8.37e-129
GB AAF29108 "HSPC144 [Homo sapiens]" 96.02 225 99.41 99.41 1.27e-122
GB AAG14949 "MDS012 [Homo sapiens]" 60.23 166 100.00 100.00 3.65e-74
GB AAG43118 "My005 protein [Homo sapiens]" 94.89 225 100.00 100.00 2.61e-122
GB AAH06978 "Thymocyte nuclear protein 1 [Homo sapiens]" 60.23 166 100.00 100.00 3.65e-74
GB AAH93074 "Thymocyte nuclear protein 1 [Homo sapiens]" 96.02 225 99.41 99.41 1.31e-122
REF NP_001032381 "thymocyte nuclear protein 1 isoform 2 [Homo sapiens]" 60.23 166 100.00 100.00 3.65e-74
REF NP_001032382 "thymocyte nuclear protein 1 isoform 1 [Homo sapiens]" 96.02 225 99.41 99.41 1.27e-122
REF NP_054893 "thymocyte nuclear protein 1 isoform 1 [Homo sapiens]" 96.02 225 99.41 99.41 1.27e-122
REF NP_954994 "thymocyte nuclear protein 1 isoform 2 [Homo sapiens]" 60.23 166 100.00 100.00 3.65e-74
REF NP_954995 "thymocyte nuclear protein 1 isoform 1 [Homo sapiens]" 96.02 225 99.41 99.41 1.27e-122
SP Q9P016 "RecName: Full=Thymocyte nuclear protein 1; AltName: Full=Thymocyte protein Thy28 [Homo sapiens]" 96.02 225 99.41 99.41 1.27e-122
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Details
$DUF589 Human 9606 Eukaryota Metazoa Homo sapiens 'CD34+ hematopietic stem/progenitor cell'
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
$DUF589 'recombinant technology' 'E. coli' . . BL21(DE3) .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '15 mM Sodium phosphate (pH6.5), 100 mM NaCl, 5mM DTT, 0.05% NaN3'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$DUF589 1 mM .
Na2HPO4 15 mM .
NaH2PO4 15 mM .
NaCl 100 mM .
DTT 5 mM .
NaN3 0.05 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details '15 mM Sodium phosphate (pH6.5), 100 mM NaCl, 5mM DTT, 0.05% NaN3'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$DUF589 1 mM '[U-13C; U-15N]'
Na2HPO4 15 mM .
NaH2PO4 15 mM .
NaCl 100 mM .
DTT 5 mM .
NaN3 0.05 % .
H20 100 % .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details '15 mM Sodium phosphate (pH6.5), 100 mM NaCl, 5mM DTT, 0.05% NaN3'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$DUF589 1 mM '[U-13C; U-15N]'
Na2HPO4 15 mM .
NaH2PO4 15 mM .
NaCl 100 mM .
DTT 5 mM .
NaN3 0.05 % .
D20 100 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name 'SPARKY 3'
_Version .
loop_
_Vendor
_Address
_Electronic_address
'T. D. Goddard and D. G. Kneller' . .
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_600MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model 'UNITY INOVA'
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1H15N-HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H15N-HSQC
_Sample_label $sample_1
save_
save_HNCACB_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label $sample_1
save_
save_CBCA(C0)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(C0)NH
_Sample_label $sample_1
save_
save_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label $sample_1
save_
save_HN(CO)CA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_Sample_label $sample_1
save_
save_HBHA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHA(CO)NH
_Sample_label $sample_1
save_
save_HCCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label $sample_1
save_
save_HCCH-COSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-COSY
_Sample_label $sample_1
save_
save_1H15N-HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H15N-HSQC
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HNCACB
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_CBCA(C0)NH
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(C0)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HNCA
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HN(CO)CA
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HBHA(CO)NH
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHA(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HCCH-TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HCCH-COSY
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-COSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details '15 mM Sodium phosphate (pH 6.5), 100 mM NaCl, 5mM DTT, 0.05% NaN3'
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 0 pH
temperature 298 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.0 internal indirect . . . 0.251449530
DSS H 1 'methylene protons' ppm 0.0 internal direct . . . 1.0
DSS N 15 'methylene protons' ppm 0.0 internal 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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name 'DUF589 monomer'
_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 2 2 SER HA H 3.882 0.017 1
2 2 2 SER HB2 H 3.665 0.009 2
3 2 2 SER HB3 H 3.362 0.009 2
4 2 2 SER C C 168.904 0.000 1
5 2 2 SER CA C 57.821 0.059 1
6 2 2 SER CB C 63.357 0.033 1
7 3 3 HIS H H 7.015 0.003 1
8 3 3 HIS HA H 4.688 0.018 1
9 3 3 HIS HB2 H 2.455 0.028 2
10 3 3 HIS HB3 H 2.316 0.009 2
11 3 3 HIS C C 173.775 0.000 1
12 3 3 HIS CA C 55.523 0.181 1
13 3 3 HIS CB C 33.017 0.216 1
14 3 3 HIS N N 117.691 0.043 1
15 4 4 TRP H H 7.611 0.008 1
16 4 4 TRP HA H 5.585 0.007 1
17 4 4 TRP HB2 H 2.943 0.015 2
18 4 4 TRP HB3 H 2.600 0.027 2
19 4 4 TRP HE1 H 10.484 0.016 1
20 4 4 TRP C C 173.809 0.000 1
21 4 4 TRP CA C 56.144 0.123 1
22 4 4 TRP CB C 34.960 0.077 1
23 4 4 TRP N N 117.931 0.114 1
24 4 4 TRP NE1 N 128.817 0.013 1
25 5 5 LEU H H 9.360 0.009 1
26 5 5 LEU HA H 4.912 0.006 1
27 5 5 LEU HG H 1.553 0.020 1
28 5 5 LEU HD1 H 0.322 0.014 2
29 5 5 LEU HD2 H 0.794 0.013 2
30 5 5 LEU C C 174.514 0.000 1
31 5 5 LEU CA C 55.889 0.106 1
32 5 5 LEU CB C 46.028 0.000 1
33 5 5 LEU CG C 28.508 0.016 1
34 5 5 LEU CD1 C 23.922 0.062 2
35 5 5 LEU CD2 C 26.928 0.013 2
36 5 5 LEU N N 123.555 0.065 1
37 6 6 MET H H 8.801 0.007 1
38 6 6 MET HA H 4.994 0.000 1
39 6 6 MET C C 173.487 0.000 1
40 6 6 MET CA C 54.708 0.090 1
41 6 6 MET CB C 35.678 0.000 1
42 6 6 MET N N 125.413 0.072 1
43 7 7 LYS H H 8.721 0.010 1
44 7 7 LYS HA H 5.435 0.001 1
45 7 7 LYS C C 176.596 0.000 1
46 7 7 LYS CA C 56.355 0.049 1
47 7 7 LYS CB C 35.378 0.000 1
48 7 7 LYS N N 120.466 0.057 1
49 8 8 SER H H 9.423 0.010 1
50 8 8 SER HA H 4.413 0.006 1
51 8 8 SER HB2 H 3.824 0.018 1
52 8 8 SER HB3 H 3.824 0.018 1
53 8 8 SER CA C 58.029 0.283 1
54 8 8 SER CB C 63.912 0.000 1
55 8 8 SER N N 117.145 0.061 1
56 11 11 GLU HA H 4.268 0.000 1
57 11 11 GLU C C 175.808 0.000 1
58 11 11 GLU CA C 56.603 0.000 1
59 11 11 GLU CB C 30.434 0.000 1
60 12 12 SER H H 7.938 0.005 1
61 12 12 SER CA C 59.783 0.068 1
62 12 12 SER CB C 64.914 0.000 1
63 12 12 SER N N 121.972 0.054 1
64 14 14 LEU HA H 4.350 0.011 1
65 14 14 LEU HB2 H 1.663 0.007 2
66 14 14 LEU HB3 H 1.506 0.007 2
67 14 14 LEU HG H 1.608 0.006 1
68 14 14 LEU HD1 H 0.856 0.007 2
69 14 14 LEU HD2 H 0.905 0.003 2
70 14 14 LEU C C 176.280 0.000 1
71 14 14 LEU CA C 55.231 0.124 1
72 14 14 LEU CB C 42.791 0.141 1
73 14 14 LEU CG C 27.109 0.070 1
74 14 14 LEU CD1 C 23.630 0.000 2
75 14 14 LEU CD2 C 25.211 0.000 2
76 15 15 GLU H H 7.841 0.004 1
77 15 15 GLU CA C 57.782 0.064 1
78 15 15 GLU CB C 31.331 0.000 1
79 15 15 GLU N N 126.153 0.067 1
80 17 17 GLY HA2 H 4.083 0.007 2
81 17 17 GLY HA3 H 3.586 0.007 2
82 17 17 GLY C C 173.661 0.000 1
83 17 17 GLY CA C 45.340 0.078 1
84 18 18 VAL H H 7.729 0.004 1
85 18 18 VAL HA H 4.192 0.013 1
86 18 18 VAL HB H 1.978 0.008 1
87 18 18 VAL HG1 H 0.830 0.009 2
88 18 18 VAL HG2 H 0.830 0.009 2
89 18 18 VAL C C 174.490 0.000 1
90 18 18 VAL CA C 61.287 0.155 1
91 18 18 VAL CB C 34.243 0.122 1
92 18 18 VAL CG1 C 21.005 0.050 2
93 18 18 VAL CG2 C 21.005 0.050 2
94 18 18 VAL N N 120.207 0.056 1
95 20 20 VAL HA H 4.639 0.009 1
96 20 20 VAL HB H 1.519 0.018 1
97 20 20 VAL HG1 H 0.798 0.009 2
98 20 20 VAL HG2 H 0.660 0.009 2
99 20 20 VAL CA C 54.684 0.020 1
100 20 20 VAL CB C 27.472 0.050 1
101 20 20 VAL CG1 C 24.940 0.022 2
102 20 20 VAL CG2 C 23.124 0.018 2
103 24 24 ILE HA H 3.058 0.026 1
104 24 24 ILE HB H 2.030 0.022 1
105 24 24 ILE HG12 H 1.172 0.011 2
106 24 24 ILE HG13 H 1.070 0.006 2
107 24 24 ILE HG2 H 0.818 0.010 1
108 24 24 ILE C C 176.219 0.000 1
109 24 24 ILE CA C 63.775 0.153 1
110 24 24 ILE CB C 34.263 0.000 1
111 24 24 ILE CG1 C 30.081 0.014 1
112 24 24 ILE CG2 C 18.268 0.006 1
113 25 25 GLU H H 7.550 0.012 1
114 25 25 GLU HA H 3.770 0.012 1
115 25 25 GLU HB2 H 1.893 0.000 2
116 25 25 GLU HB3 H 1.620 0.010 2
117 25 25 GLU HG2 H 2.256 0.013 2
118 25 25 GLU HG3 H 2.198 0.028 2
119 25 25 GLU C C 179.363 0.000 1
120 25 25 GLU CA C 58.395 0.134 1
121 25 25 GLU CB C 28.494 0.095 1
122 25 25 GLU CG C 35.952 0.018 1
123 25 25 GLU N N 119.823 0.119 1
124 26 26 ASP H H 7.271 0.007 1
125 26 26 ASP HA H 4.234 0.020 1
126 26 26 ASP C C 179.027 0.000 1
127 26 26 ASP CA C 57.110 0.062 1
128 26 26 ASP CB C 40.230 0.000 1
129 26 26 ASP N N 121.106 0.075 1
130 27 27 LEU H H 7.053 0.017 1
131 27 27 LEU HA H 4.077 0.011 1
132 27 27 LEU C C 178.036 0.000 1
133 27 27 LEU CA C 58.332 0.051 1
134 27 27 LEU CB C 40.617 0.000 1
135 27 27 LEU N N 120.980 0.119 1
136 28 28 LYS H H 7.405 0.011 1
137 28 28 LYS HA H 3.278 0.016 1
138 28 28 LYS HB2 H 1.463 0.016 2
139 28 28 LYS HB3 H 1.214 0.016 2
140 28 28 LYS HG2 H 0.677 0.003 1
141 28 28 LYS HG3 H 0.677 0.003 1
142 28 28 LYS HD2 H 1.203 0.012 2
143 28 28 LYS HD3 H 1.121 0.034 2
144 28 28 LYS HE2 H 2.607 0.011 1
145 28 28 LYS HE3 H 2.607 0.011 1
146 28 28 LYS C C 176.140 0.000 1
147 28 28 LYS CA C 59.049 0.103 1
148 28 28 LYS CB C 32.251 0.104 1
149 28 28 LYS CG C 24.063 0.000 1
150 28 28 LYS CD C 30.095 0.065 1
151 28 28 LYS CE C 41.206 0.050 1
152 28 28 LYS N N 115.602 0.087 1
153 29 29 ALA H H 7.035 0.011 1
154 29 29 ALA HA H 4.316 0.009 1
155 29 29 ALA HB H 1.471 0.000 1
156 29 29 ALA C C 178.206 0.000 1
157 29 29 ALA CA C 52.055 0.105 1
158 29 29 ALA CB C 19.450 0.087 1
159 29 29 ALA N N 117.449 0.052 1
160 30 30 GLN H H 7.422 0.009 1
161 30 30 GLN HA H 4.328 0.020 1
162 30 30 GLN C C 175.047 0.000 1
163 30 30 GLN CA C 54.122 0.061 1
164 30 30 GLN CB C 28.825 0.000 1
165 30 30 GLN N N 118.381 0.102 1
166 31 31 PRO HA H 4.077 0.000 1
167 31 31 PRO C C 176.417 0.000 1
168 31 31 PRO CA C 61.615 0.133 1
169 32 32 LYS H H 8.280 0.002 1
170 32 32 LYS HA H 4.155 0.016 1
171 32 32 LYS C C 176.659 0.000 1
172 32 32 LYS CA C 57.003 0.105 1
173 32 32 LYS CB C 33.042 0.000 1
174 32 32 LYS N N 124.751 0.043 1
175 33 33 GLN H H 9.068 0.012 1
176 33 33 GLN HA H 4.178 0.022 1
177 33 33 GLN C C 173.473 0.000 1
178 33 33 GLN CA C 56.820 0.119 1
179 33 33 GLN CB C 27.992 0.115 1
180 33 33 GLN N N 117.510 0.062 1
181 34 34 THR H H 7.178 0.023 1
182 34 34 THR HA H 5.837 0.007 1
183 34 34 THR HB H 3.808 0.008 1
184 34 34 THR HG2 H 1.147 0.014 1
185 34 34 THR C C 173.209 0.000 1
186 34 34 THR CA C 61.408 0.106 1
187 34 34 THR CB C 72.864 0.159 1
188 34 34 THR CG2 C 20.215 0.096 1
189 34 34 THR N N 112.583 0.039 1
190 35 35 THR H H 8.769 0.009 1
191 35 35 THR HA H 4.870 0.010 1
192 35 35 THR HB H 3.987 0.011 1
193 35 35 THR HG2 H 1.166 0.010 1
194 35 35 THR C C 171.736 0.000 1
195 35 35 THR CA C 60.591 0.113 1
196 35 35 THR CB C 71.405 0.026 1
197 35 35 THR CG2 C 19.346 0.114 1
198 35 35 THR N N 116.938 0.072 1
199 36 36 CYS H H 7.899 0.002 1
200 36 36 CYS HA H 5.541 0.009 1
201 36 36 CYS HB2 H 3.311 0.011 2
202 36 36 CYS HB3 H 3.093 0.008 2
203 36 36 CYS C C 174.204 0.000 1
204 36 36 CYS CA C 54.601 0.100 1
205 36 36 CYS CB C 29.920 0.063 1
206 36 36 CYS N N 121.122 0.050 1
207 37 37 TRP H H 9.571 0.008 1
208 37 37 TRP HA H 4.548 0.003 1
209 37 37 TRP HB2 H 3.526 0.000 2
210 37 37 TRP HB3 H 2.563 0.009 2
211 37 37 TRP HE1 H 10.524 0.007 1
212 37 37 TRP C C 173.932 0.000 1
213 37 37 TRP CA C 55.884 0.133 1
214 37 37 TRP CB C 27.055 0.000 1
215 37 37 TRP N N 128.566 0.059 1
216 37 37 TRP NE1 N 131.021 0.039 1
217 38 38 ASP H H 8.140 0.007 1
218 38 38 ASP HA H 4.297 0.009 1
219 38 38 ASP HB2 H 2.563 0.011 1
220 38 38 ASP HB3 H 2.563 0.011 1
221 38 38 ASP C C 176.389 0.000 1
222 38 38 ASP CA C 53.938 0.090 1
223 38 38 ASP CB C 42.647 0.048 1
224 38 38 ASP N N 120.861 0.095 1
225 39 39 GLY H H 8.281 0.020 1
226 39 39 GLY HA2 H 3.424 0.026 2
227 39 39 GLY HA3 H 2.578 0.023 2
228 39 39 GLY C C 173.807 0.000 1
229 39 39 GLY CA C 46.010 0.067 1
230 39 39 GLY N N 104.920 0.067 1
231 40 40 VAL H H 8.858 0.008 1
232 40 40 VAL HA H 3.617 0.012 1
233 40 40 VAL HB H 2.313 0.011 1
234 40 40 VAL HG1 H 1.016 0.009 2
235 40 40 VAL HG2 H 0.977 0.016 2
236 40 40 VAL C C 178.727 0.000 1
237 40 40 VAL CA C 64.541 0.119 1
238 40 40 VAL CB C 30.156 0.088 1
239 40 40 VAL CG1 C 22.211 0.043 2
240 40 40 VAL CG2 C 22.667 0.090 2
241 40 40 VAL N N 121.833 0.066 1
242 41 41 ARG H H 8.501 0.010 1
243 41 41 ARG HB2 H 2.338 0.037 1
244 41 41 ARG HB3 H 2.338 0.037 1
245 41 41 ARG C C 172.823 0.000 1
246 41 41 ARG CA C 52.168 0.137 1
247 41 41 ARG CB C 28.855 0.072 1
248 41 41 ARG N N 132.587 0.031 1
249 42 42 ASN H H 6.141 0.048 1
250 42 42 ASN HA H 5.054 0.012 1
251 42 42 ASN HB2 H 2.805 0.009 2
252 42 42 ASN HB3 H 2.630 0.010 2
253 42 42 ASN HD21 H 7.867 0.003 2
254 42 42 ASN HD22 H 7.151 0.000 2
255 42 42 ASN C C 175.818 0.000 1
256 42 42 ASN CA C 51.666 0.073 1
257 42 42 ASN CB C 42.732 0.063 1
258 42 42 ASN CG C 175.428 0.016 1
259 42 42 ASN N N 119.404 0.043 1
260 42 42 ASN ND2 N 113.914 0.051 1
261 43 43 TYR HA H 4.170 0.010 1
262 43 43 TYR HB2 H 3.040 0.018 2
263 43 43 TYR HB3 H 3.003 0.019 2
264 43 43 TYR C C 176.651 0.000 1
265 43 43 TYR CA C 63.305 0.118 1
266 43 43 TYR CB C 38.354 0.045 1
267 44 44 GLN H H 8.158 0.005 1
268 44 44 GLN HA H 3.888 0.013 1
269 44 44 GLN HB2 H 2.252 0.017 2
270 44 44 GLN HB3 H 2.051 0.014 2
271 44 44 GLN HG2 H 2.297 0.017 1
272 44 44 GLN HG3 H 2.297 0.017 1
273 44 44 GLN HE21 H 7.258 0.018 2
274 44 44 GLN HE22 H 6.986 0.003 2
275 44 44 GLN C C 178.586 0.000 1
276 44 44 GLN CA C 59.488 0.109 1
277 44 44 GLN CB C 28.216 0.072 1
278 44 44 GLN CG C 34.723 0.049 1
279 44 44 GLN CD C 179.930 0.014 1
280 44 44 GLN N N 119.389 0.095 1
281 44 44 GLN NE2 N 112.287 0.094 1
282 45 45 ALA H H 8.489 0.006 1
283 45 45 ALA HA H 4.334 0.012 1
284 45 45 ALA HB H 1.610 0.011 1
285 45 45 ALA C C 179.247 0.000 1
286 45 45 ALA CA C 55.464 0.094 1
287 45 45 ALA CB C 19.583 0.064 1
288 45 45 ALA N N 121.960 0.059 1
289 46 46 ARG H H 8.802 0.012 1
290 46 46 ARG HA H 3.930 0.008 1
291 46 46 ARG C C 178.192 0.000 1
292 46 46 ARG CA C 59.178 0.072 1
293 46 46 ARG CB C 29.626 0.000 1
294 46 46 ARG N N 118.898 0.094 1
295 47 47 ASN H H 8.299 0.014 1
296 47 47 ASN HA H 4.285 0.015 1
297 47 47 ASN HB2 H 2.825 0.010 2
298 47 47 ASN HB3 H 2.671 0.012 2
299 47 47 ASN C C 179.027 0.000 1
300 47 47 ASN CA C 55.647 0.115 1
301 47 47 ASN CB C 36.195 0.055 1
302 47 47 ASN N N 119.594 0.075 1
303 48 48 PHE H H 7.687 0.005 1
304 48 48 PHE HA H 4.759 0.015 1
305 48 48 PHE HB2 H 3.163 0.018 1
306 48 48 PHE HB3 H 3.163 0.018 1
307 48 48 PHE C C 177.561 0.000 1
308 48 48 PHE CA C 59.900 0.108 1
309 48 48 PHE CB C 37.897 0.106 1
310 48 48 PHE N N 120.995 0.067 1
311 49 49 LEU H H 8.162 0.008 1
312 49 49 LEU HA H 4.201 0.010 1
313 49 49 LEU HB2 H 2.281 0.007 2
314 49 49 LEU HB3 H 1.149 0.015 2
315 49 49 LEU HG H 1.953 0.026 1
316 49 49 LEU HD1 H 0.776 0.012 2
317 49 49 LEU HD2 H 0.947 0.019 2
318 49 49 LEU C C 180.422 0.000 1
319 49 49 LEU CA C 57.923 0.114 1
320 49 49 LEU CB C 42.133 0.098 1
321 49 49 LEU CG C 26.825 0.089 1
322 49 49 LEU CD1 C 25.236 0.069 2
323 49 49 LEU CD2 C 27.699 0.100 2
324 49 49 LEU N N 119.503 0.096 1
325 50 50 ARG H H 7.991 0.006 1
326 50 50 ARG HA H 3.877 0.009 1
327 50 50 ARG C C 175.111 0.000 1
328 50 50 ARG CA C 58.618 0.061 1
329 50 50 ARG CB C 30.396 0.000 1
330 50 50 ARG N N 115.039 0.062 1
331 51 51 ALA H H 7.597 0.006 1
332 51 51 ALA HA H 4.494 0.010 1
333 51 51 ALA HB H 1.820 0.011 1
334 51 51 ALA C C 178.061 0.000 1
335 51 51 ALA CA C 52.037 0.081 1
336 51 51 ALA CB C 19.971 0.080 1
337 51 51 ALA N N 121.603 0.075 1
338 52 52 MET H H 6.874 0.005 1
339 52 52 MET HA H 4.248 0.022 1
340 52 52 MET C C 175.995 0.031 1
341 52 52 MET CA C 57.634 0.079 1
342 52 52 MET CB C 33.394 0.000 1
343 52 52 MET N N 119.373 0.070 1
344 53 53 LYS H H 8.330 0.005 1
345 53 53 LYS HA H 4.926 0.008 1
346 53 53 LYS HB2 H 1.808 0.015 2
347 53 53 LYS HB3 H 1.446 0.013 2
348 53 53 LYS HG2 H 1.493 0.000 1
349 53 53 LYS HG3 H 1.493 0.000 1
350 53 53 LYS HD2 H 1.708 0.034 1
351 53 53 LYS HD3 H 1.708 0.034 1
352 53 53 LYS HE2 H 3.097 0.027 1
353 53 53 LYS HE3 H 3.097 0.027 1
354 53 53 LYS C C 176.015 0.000 1
355 53 53 LYS CA C 52.418 0.098 1
356 53 53 LYS CB C 35.652 0.053 1
357 53 53 LYS CG C 24.455 0.063 1
358 53 53 LYS CD C 28.340 0.067 1
359 53 53 LYS CE C 42.004 0.009 1
360 53 53 LYS N N 121.461 0.044 1
361 54 54 LEU H H 9.445 0.006 1
362 54 54 LEU HA H 3.664 0.010 1
363 54 54 LEU HB2 H 1.615 0.010 2
364 54 54 LEU HB3 H 1.474 0.011 2
365 54 54 LEU HG H 1.765 0.015 1
366 54 54 LEU HD1 H 0.911 0.014 2
367 54 54 LEU HD2 H 0.819 0.018 2
368 54 54 LEU C C 178.611 0.026 1
369 54 54 LEU CA C 56.353 0.088 1
370 54 54 LEU CB C 42.637 0.044 1
371 54 54 LEU CG C 26.532 0.020 1
372 54 54 LEU CD1 C 25.230 0.016 2
373 54 54 LEU CD2 C 24.066 0.090 2
374 54 54 LEU N N 120.238 0.073 1
375 55 55 GLY H H 9.155 0.016 1
376 55 55 GLY HA2 H 4.329 0.011 2
377 55 55 GLY HA3 H 3.447 0.011 2
378 55 55 GLY C C 174.542 0.026 1
379 55 55 GLY CA C 45.166 0.060 1
380 55 55 GLY N N 111.740 0.037 1
381 56 56 GLU H H 8.031 0.008 1
382 56 56 GLU HA H 4.284 0.017 1
383 56 56 GLU HB2 H 1.784 0.005 2
384 56 56 GLU HB3 H 1.619 0.000 2
385 56 56 GLU HG2 H 2.372 0.000 1
386 56 56 GLU HG3 H 2.372 0.000 1
387 56 56 GLU C C 175.671 0.019 1
388 56 56 GLU CA C 57.202 0.120 1
389 56 56 GLU CB C 29.800 0.154 1
390 56 56 GLU CG C 36.335 0.117 1
391 56 56 GLU N N 120.260 0.074 1
392 57 57 GLU H H 8.619 0.018 1
393 57 57 GLU HA H 4.934 0.014 1
394 57 57 GLU HB2 H 1.791 0.000 2
395 57 57 GLU HB3 H 1.571 0.041 2
396 57 57 GLU HG2 H 2.347 0.012 2
397 57 57 GLU HG3 H 2.146 0.019 2
398 57 57 GLU C C 175.509 0.009 1
399 57 57 GLU CA C 55.681 0.145 1
400 57 57 GLU CB C 33.165 0.000 1
401 57 57 GLU CG C 37.731 0.045 1
402 57 57 GLU N N 118.390 0.062 1
403 58 58 ALA H H 8.712 0.020 1
404 58 58 ALA HA H 5.407 0.009 1
405 58 58 ALA HB H 0.933 0.019 1
406 58 58 ALA C C 177.219 0.000 1
407 58 58 ALA CA C 48.691 0.104 1
408 58 58 ALA CB C 24.646 0.064 1
409 58 58 ALA N N 119.576 0.053 1
410 59 59 PHE H H 9.060 0.005 1
411 59 59 PHE HA H 5.456 0.013 1
412 59 59 PHE HB2 H 3.255 0.009 2
413 59 59 PHE HB3 H 2.914 0.030 2
414 59 59 PHE C C 174.347 0.000 1
415 59 59 PHE CA C 57.159 0.176 1
416 59 59 PHE CB C 41.261 0.067 1
417 59 59 PHE N N 119.413 0.049 1
418 60 60 PHE H H 9.135 0.013 1
419 60 60 PHE HA H 4.747 0.007 1
420 60 60 PHE C C 173.735 0.000 1
421 60 60 PHE CA C 57.079 0.062 1
422 60 60 PHE CB C 40.893 0.000 1
423 60 60 PHE N N 125.945 0.081 1
424 61 61 TYR H H 8.967 0.005 1
425 61 61 TYR HA H 5.112 0.010 1
426 61 61 TYR C C 173.628 0.000 1
427 61 61 TYR CA C 56.729 0.132 1
428 61 61 TYR CB C 40.951 0.000 1
429 61 61 TYR N N 132.422 0.046 1
430 62 62 HIS H H 9.223 0.010 1
431 62 62 HIS CA C 53.900 0.107 1
432 62 62 HIS N N 129.422 0.139 1
433 66 66 LYS HA H 4.040 0.012 1
434 66 66 LYS HB2 H 1.855 0.016 1
435 66 66 LYS HB3 H 1.855 0.016 1
436 66 66 LYS HG2 H 1.602 0.021 2
437 66 66 LYS HG3 H 1.504 0.023 2
438 66 66 LYS HD2 H 1.725 0.016 1
439 66 66 LYS HD3 H 1.725 0.016 1
440 66 66 LYS HE2 H 2.991 0.007 1
441 66 66 LYS HE3 H 2.991 0.007 1
442 66 66 LYS C C 177.232 0.000 1
443 66 66 LYS CA C 59.592 0.106 1
444 66 66 LYS CB C 32.603 0.049 1
445 66 66 LYS CG C 25.147 0.074 1
446 66 66 LYS CD C 29.018 0.058 1
447 66 66 LYS CE C 41.965 0.018 1
448 67 67 GLU H H 8.052 0.003 1
449 67 67 GLU HA H 4.918 0.013 1
450 67 67 GLU HB2 H 1.943 0.023 2
451 67 67 GLU HB3 H 1.721 0.020 2
452 67 67 GLU HG2 H 2.169 0.021 2
453 67 67 GLU HG3 H 2.089 0.024 2
454 67 67 GLU CA C 52.916 0.079 1
455 67 67 GLU CB C 30.553 0.064 1
456 67 67 GLU CG C 36.472 0.075 1
457 67 67 GLU N N 116.416 0.036 1
458 68 68 PRO HA H 4.603 0.005 1
459 68 68 PRO C C 178.699 0.000 1
460 68 68 PRO CA C 62.525 0.000 1
461 68 68 PRO CB C 33.301 0.000 1
462 69 69 GLY H H 7.895 0.006 1
463 69 69 GLY HA2 H 4.482 0.004 2
464 69 69 GLY HA3 H 3.371 0.005 2
465 69 69 GLY C C 171.356 0.000 1
466 69 69 GLY CA C 46.038 0.074 1
467 69 69 GLY N N 107.404 0.060 1
468 70 70 ILE H H 8.408 0.006 1
469 70 70 ILE HA H 3.925 0.023 1
470 70 70 ILE HB H 1.393 0.013 1
471 70 70 ILE HG12 H 1.654 0.011 2
472 70 70 ILE HG13 H 0.792 0.021 2
473 70 70 ILE HG2 H 0.649 0.014 1
474 70 70 ILE HD1 H 0.324 0.017 1
475 70 70 ILE C C 173.148 0.000 1
476 70 70 ILE CA C 62.463 0.164 1
477 70 70 ILE CB C 39.885 0.079 1
478 70 70 ILE CG1 C 29.903 0.104 1
479 70 70 ILE CG2 C 17.436 0.193 1
480 70 70 ILE CD1 C 14.660 0.053 1
481 70 70 ILE N N 117.733 0.072 1
482 71 71 ALA H H 8.274 0.009 1
483 71 71 ALA HA H 4.909 0.020 1
484 71 71 ALA HB H 1.119 0.020 1
485 71 71 ALA C C 179.564 0.000 1
486 71 71 ALA CA C 51.806 0.111 1
487 71 71 ALA CB C 21.475 0.159 1
488 71 71 ALA N N 125.792 0.057 1
489 72 72 GLY H H 7.636 0.004 1
490 72 72 GLY HA2 H 4.314 0.007 1
491 72 72 GLY HA3 H 4.314 0.007 1
492 72 72 GLY C C 169.180 0.000 1
493 72 72 GLY CA C 46.387 0.048 1
494 72 72 GLY N N 102.552 0.050 1
495 73 73 LEU H H 9.232 0.005 1
496 73 73 LEU HA H 5.366 0.016 1
497 73 73 LEU HB2 H 1.567 0.012 2
498 73 73 LEU HB3 H 1.354 0.012 2
499 73 73 LEU HG H 1.655 0.019 1
500 73 73 LEU HD1 H 0.885 0.008 2
501 73 73 LEU HD2 H 0.850 0.024 2
502 73 73 LEU C C 174.798 0.000 1
503 73 73 LEU CA C 54.484 0.099 1
504 73 73 LEU CB C 48.316 0.046 1
505 73 73 LEU CG C 28.287 0.127 1
506 73 73 LEU CD1 C 25.449 0.053 2
507 73 73 LEU N N 122.269 0.060 1
508 74 74 MET H H 9.412 0.013 1
509 74 74 MET HA H 5.290 0.021 1
510 74 74 MET HB2 H 2.058 0.013 2
511 74 74 MET HB3 H 1.916 0.030 2
512 74 74 MET HG2 H 2.510 0.015 2
513 74 74 MET HG3 H 2.381 0.023 2
514 74 74 MET C C 172.765 0.000 1
515 74 74 MET CA C 54.265 0.101 1
516 74 74 MET CB C 38.351 0.031 1
517 74 74 MET CG C 31.535 0.052 1
518 74 74 MET N N 120.761 0.074 1
519 75 75 LYS H H 9.065 0.017 1
520 75 75 LYS HA H 5.630 0.008 1
521 75 75 LYS HB2 H 1.615 0.022 2
522 75 75 LYS HB3 H 1.529 0.025 2
523 75 75 LYS HG2 H 1.258 0.011 2
524 75 75 LYS HG3 H 1.178 0.023 2
525 75 75 LYS HD2 H 1.587 0.009 1
526 75 75 LYS HD3 H 1.587 0.009 1
527 75 75 LYS HE2 H 2.853 0.008 1
528 75 75 LYS HE3 H 2.853 0.008 1
529 75 75 LYS C C 175.452 0.000 1
530 75 75 LYS CA C 53.881 0.094 1
531 75 75 LYS CB C 36.816 0.077 1
532 75 75 LYS CG C 24.213 0.068 1
533 75 75 LYS CD C 29.622 0.158 1
534 75 75 LYS CE C 41.939 0.063 1
535 75 75 LYS N N 117.052 0.116 1
536 76 76 ILE H H 8.707 0.007 1
537 76 76 ILE HA H 4.335 0.018 1
538 76 76 ILE HB H 2.250 0.026 1
539 76 76 ILE HG12 H 1.625 0.006 2
540 76 76 ILE HG13 H 1.136 0.021 2
541 76 76 ILE HG2 H 0.661 0.017 1
542 76 76 ILE HD1 H 0.585 0.022 1
543 76 76 ILE C C 177.674 0.000 1
544 76 76 ILE CA C 61.488 0.194 1
545 76 76 ILE CB C 36.321 0.091 1
546 76 76 ILE CG1 C 29.336 0.107 1
547 76 76 ILE CG2 C 18.601 0.091 1
548 76 76 ILE CD1 C 11.991 0.053 1
549 76 76 ILE N N 122.730 0.102 1
550 77 77 VAL H H 8.712 0.006 1
551 77 77 VAL HA H 4.709 0.010 1
552 77 77 VAL HB H 2.507 0.014 1
553 77 77 VAL HG1 H 0.715 0.012 2
554 77 77 VAL HG2 H 0.925 0.013 2
555 77 77 VAL C C 175.453 0.000 1
556 77 77 VAL CA C 61.354 0.147 1
557 77 77 VAL CB C 33.237 0.049 1
558 77 77 VAL CG1 C 19.311 0.050 2
559 77 77 VAL CG2 C 22.885 0.051 2
560 77 77 VAL N N 119.606 0.086 1
561 78 78 LYS H H 7.384 0.008 1
562 78 78 LYS HA H 4.221 0.024 1
563 78 78 LYS HB2 H 1.733 0.013 1
564 78 78 LYS HB3 H 1.733 0.013 1
565 78 78 LYS HG2 H 1.587 0.021 2
566 78 78 LYS HG3 H 1.283 0.025 2
567 78 78 LYS HD2 H 1.345 0.009 2
568 78 78 LYS HD3 H 1.208 0.021 2
569 78 78 LYS HE2 H 2.257 0.019 2
570 78 78 LYS HE3 H 1.974 0.022 2
571 78 78 LYS C C 175.169 0.026 1
572 78 78 LYS CA C 59.053 0.098 1
573 78 78 LYS CB C 37.280 0.038 1
574 78 78 LYS CG C 25.033 0.040 1
575 78 78 LYS CD C 29.839 0.063 1
576 78 78 LYS CE C 41.447 0.062 1
577 78 78 LYS N N 123.602 0.062 1
578 79 79 GLU H H 8.445 0.009 1
579 79 79 GLU HA H 3.885 0.003 1
580 79 79 GLU C C 175.120 0.000 1
581 79 79 GLU CA C 56.708 0.091 1
582 79 79 GLU CB C 30.183 0.000 1
583 79 79 GLU N N 123.912 0.073 1
584 80 80 ALA H H 8.826 0.005 1
585 80 80 ALA HA H 4.704 0.020 1
586 80 80 ALA HB H 1.201 0.014 1
587 80 80 ALA C C 176.404 0.000 1
588 80 80 ALA CA C 52.786 0.133 1
589 80 80 ALA CB C 19.700 0.087 1
590 80 80 ALA N N 118.025 0.052 1
591 81 81 TYR H H 9.083 0.006 1
592 81 81 TYR HA H 5.100 0.017 1
593 81 81 TYR HB2 H 3.181 0.000 1
594 81 81 TYR HB3 H 3.181 0.000 1
595 81 81 TYR C C 172.595 0.000 1
596 81 81 TYR CA C 55.267 0.083 1
597 81 81 TYR CB C 36.674 0.058 1
598 81 81 TYR N N 120.896 0.061 1
599 82 82 PRO HA H 4.377 0.004 1
600 82 82 PRO HB2 H 2.112 0.006 2
601 82 82 PRO HB3 H 2.373 0.015 2
602 82 82 PRO C C 175.751 0.000 1
603 82 82 PRO CA C 64.416 0.140 1
604 82 82 PRO CB C 32.500 0.000 1
605 83 83 ASP H H 6.807 0.035 1
606 83 83 ASP HA H 4.867 0.020 1
607 83 83 ASP HB2 H 2.982 0.010 2
608 83 83 ASP HB3 H 2.762 0.014 2
609 83 83 ASP C C 178.754 0.000 1
610 83 83 ASP CA C 52.063 0.077 1
611 83 83 ASP CB C 41.733 0.182 1
612 83 83 ASP N N 117.503 0.065 1
613 84 84 HIS H H 7.983 0.003 1
614 84 84 HIS HA H 4.643 0.008 1
615 84 84 HIS HB2 H 3.458 0.010 2
616 84 84 HIS HB3 H 3.314 0.009 2
617 84 84 HIS C C 177.548 0.000 1
618 84 84 HIS CA C 59.889 0.108 1
619 84 84 HIS CB C 30.076 0.098 1
620 84 84 HIS N N 128.838 0.047 1
621 85 85 THR H H 8.012 0.004 1
622 85 85 THR HA H 3.832 0.017 1
623 85 85 THR HB H 3.976 0.015 1
624 85 85 THR HG2 H 0.920 0.014 1
625 85 85 THR C C 176.344 0.000 1
626 85 85 THR CA C 64.843 0.127 1
627 85 85 THR CB C 69.665 0.057 1
628 85 85 THR CG2 C 21.612 0.038 1
629 85 85 THR N N 113.515 0.087 1
630 86 86 GLN H H 6.857 0.012 1
631 86 86 GLN HA H 4.406 0.012 1
632 86 86 GLN C C 173.873 0.000 1
633 86 86 GLN CA C 56.558 0.054 1
634 86 86 GLN CB C 29.902 0.000 1
635 86 86 GLN N N 115.357 0.084 1
636 87 87 PHE H H 7.016 0.015 1
637 87 87 PHE HA H 5.276 0.014 1
638 87 87 PHE HB2 H 3.804 0.019 2
639 87 87 PHE HB3 H 2.863 0.007 2
640 87 87 PHE C C 175.610 0.000 1
641 87 87 PHE CA C 56.515 0.063 1
642 87 87 PHE CB C 40.439 0.060 1
643 87 87 PHE N N 115.735 0.075 1
644 88 88 GLU H H 7.121 0.006 1
645 88 88 GLU HA H 4.375 0.015 1
646 88 88 GLU HB2 H 2.056 0.017 1
647 88 88 GLU HB3 H 2.056 0.017 1
648 88 88 GLU HG2 H 2.433 0.010 2
649 88 88 GLU HG3 H 2.218 0.007 2
650 88 88 GLU C C 174.965 0.000 1
651 88 88 GLU CA C 55.575 0.110 1
652 88 88 GLU CB C 30.505 0.065 1
653 88 88 GLU CG C 36.374 0.045 1
654 88 88 GLU N N 121.842 0.088 1
655 89 89 LYS H H 8.163 0.004 1
656 89 89 LYS HA H 2.087 0.013 1
657 89 89 LYS HB2 H 1.376 0.012 1
658 89 89 LYS HB3 H 1.376 0.012 1
659 89 89 LYS HG2 H 1.198 0.012 2
660 89 89 LYS HG3 H 1.057 0.015 2
661 89 89 LYS HD2 H 1.569 0.011 1
662 89 89 LYS HD3 H 1.569 0.011 1
663 89 89 LYS HE2 H 2.992 0.014 1
664 89 89 LYS HE3 H 2.992 0.014 1
665 89 89 LYS C C 176.678 0.000 1
666 89 89 LYS CA C 58.418 0.091 1
667 89 89 LYS CB C 32.406 0.060 1
668 89 89 LYS CG C 25.466 0.086 1
669 89 89 LYS CD C 29.409 0.085 1
670 89 89 LYS CE C 42.051 0.016 1
671 89 89 LYS N N 125.841 0.055 1
672 90 90 ASN H H 8.250 0.004 1
673 90 90 ASN HA H 4.618 0.018 1
674 90 90 ASN HB2 H 2.801 0.020 1
675 90 90 ASN HB3 H 2.801 0.020 1
676 90 90 ASN HD21 H 7.550 0.034 2
677 90 90 ASN HD22 H 6.887 0.003 2
678 90 90 ASN C C 174.491 0.050 1
679 90 90 ASN CA C 52.818 0.075 1
680 90 90 ASN CB C 38.007 0.051 1
681 90 90 ASN CG C 177.570 0.026 1
682 90 90 ASN N N 113.800 0.044 1
683 90 90 ASN ND2 N 112.428 0.097 1
684 91 91 ASN H H 8.037 0.011 1
685 91 91 ASN HA H 4.929 0.019 1
686 91 91 ASN HB2 H 3.089 0.022 2
687 91 91 ASN HB3 H 3.026 0.021 2
688 91 91 ASN HD21 H 8.005 0.008 2
689 91 91 ASN HD22 H 7.151 0.001 2
690 91 91 ASN C C 174.993 0.000 1
691 91 91 ASN CA C 52.266 0.156 1
692 91 91 ASN CB C 41.954 0.115 1
693 91 91 ASN CG C 176.621 0.002 1
694 91 91 ASN N N 122.604 0.078 1
695 91 91 ASN ND2 N 115.026 0.084 1
696 92 92 PRO HA H 4.257 0.020 1
697 92 92 PRO HB2 H 1.226 0.012 2
698 92 92 PRO HB3 H 2.148 0.012 2
699 92 92 PRO HG2 H 1.819 0.011 2
700 92 92 PRO HG3 H 1.383 0.011 2
701 92 92 PRO HD2 H 3.624 0.041 2
702 92 92 PRO HD3 H 3.492 0.008 2
703 92 92 PRO C C 176.556 0.000 1
704 92 92 PRO CA C 64.791 0.118 1
705 92 92 PRO CB C 32.212 0.082 1
706 92 92 PRO CG C 27.318 0.057 1
707 92 92 PRO CD C 51.008 0.268 1
708 93 93 HIS H H 9.306 0.004 1
709 93 93 HIS HA H 4.929 0.014 1
710 93 93 HIS HB2 H 2.778 0.000 2
711 93 93 HIS HB3 H 2.639 0.000 2
712 93 93 HIS C C 175.061 0.044 1
713 93 93 HIS CA C 53.105 0.133 1
714 93 93 HIS CB C 27.504 0.075 1
715 93 93 HIS N N 114.800 0.068 1
716 94 94 TYR H H 7.623 0.006 1
717 94 94 TYR HA H 4.346 0.024 1
718 94 94 TYR HB2 H 4.034 0.000 2
719 94 94 TYR HB3 H 2.595 0.000 2
720 94 94 TYR C C 175.913 0.000 1
721 94 94 TYR CA C 57.910 0.117 1
722 94 94 TYR CB C 39.323 0.031 1
723 94 94 TYR N N 124.505 0.039 1
724 95 95 ASP H H 8.696 0.008 1
725 95 95 ASP HA H 5.097 0.008 1
726 95 95 ASP HB2 H 3.046 0.020 2
727 95 95 ASP HB3 H 2.412 0.030 2
728 95 95 ASP CA C 49.873 0.058 1
729 95 95 ASP CB C 42.718 0.084 1
730 95 95 ASP N N 127.403 0.053 1
731 96 96 PRO HA H 4.125 0.015 1
732 96 96 PRO HB2 H 2.383 0.018 2
733 96 96 PRO HB3 H 2.064 0.028 2
734 96 96 PRO C C 176.791 0.000 1
735 96 96 PRO CA C 63.553 0.137 1
736 96 96 PRO CB C 32.003 0.125 1
737 97 97 SER H H 8.385 0.005 1
738 97 97 SER HA H 4.443 0.021 1
739 97 97 SER HB2 H 4.009 0.016 2
740 97 97 SER HB3 H 3.849 0.021 2
741 97 97 SER C C 174.292 0.027 1
742 97 97 SER CA C 59.009 0.103 1
743 97 97 SER CB C 64.415 0.048 1
744 97 97 SER N N 114.214 0.061 1
745 98 98 SER H H 7.380 0.005 1
746 98 98 SER HA H 4.515 0.011 1
747 98 98 SER HB2 H 3.880 0.012 2
748 98 98 SER HB3 H 3.563 0.019 2
749 98 98 SER C C 174.322 0.000 1
750 98 98 SER CA C 57.096 0.094 1
751 98 98 SER CB C 63.587 0.048 1
752 98 98 SER N N 117.768 0.053 1
753 99 99 LYS H H 9.313 0.006 1
754 99 99 LYS HA H 4.727 0.009 1
755 99 99 LYS HB2 H 1.983 0.018 2
756 99 99 LYS HB3 H 1.776 0.020 2
757 99 99 LYS HG2 H 1.587 0.017 2
758 99 99 LYS HG3 H 1.469 0.014 2
759 99 99 LYS HD2 H 1.726 0.014 1
760 99 99 LYS HD3 H 1.726 0.014 1
761 99 99 LYS HE2 H 3.019 0.009 1
762 99 99 LYS HE3 H 3.019 0.009 1
763 99 99 LYS C C 177.837 0.000 1
764 99 99 LYS CA C 54.619 0.065 1
765 99 99 LYS CB C 34.347 0.089 1
766 99 99 LYS CG C 24.689 0.105 1
767 99 99 LYS CD C 28.573 0.083 1
768 99 99 LYS CE C 42.116 0.053 1
769 99 99 LYS N N 128.174 0.062 1
770 100 100 GLU H H 8.999 0.004 1
771 100 100 GLU HA H 3.511 0.020 1
772 100 100 GLU HB2 H 1.630 0.030 1
773 100 100 GLU HB3 H 1.630 0.030 1
774 100 100 GLU HG2 H 1.536 0.021 1
775 100 100 GLU HG3 H 1.536 0.021 1
776 100 100 GLU C C 176.916 0.000 1
777 100 100 GLU CA C 59.672 0.141 1
778 100 100 GLU CB C 29.386 0.075 1
779 100 100 GLU CG C 36.508 0.068 1
780 100 100 GLU N N 122.026 0.068 1
781 101 101 ASP H H 8.137 0.004 1
782 101 101 ASP HA H 4.380 0.015 1
783 101 101 ASP HB2 H 2.682 0.017 2
784 101 101 ASP HB3 H 2.585 0.017 2
785 101 101 ASP C C 176.413 0.000 1
786 101 101 ASP CA C 54.392 0.069 1
787 101 101 ASP CB C 40.047 0.061 1
788 101 101 ASP N N 113.652 0.085 1
789 102 102 ASN H H 7.357 0.012 1
790 102 102 ASN HA H 4.813 0.022 1
791 102 102 ASN HB2 H 2.628 0.012 1
792 102 102 ASN HB3 H 2.628 0.012 1
793 102 102 ASN HD21 H 7.494 0.013 2
794 102 102 ASN HD22 H 6.688 0.053 2
795 102 102 ASN C C 176.383 0.000 1
796 102 102 ASN CA C 51.825 0.098 1
797 102 102 ASN CB C 38.012 0.045 1
798 102 102 ASN CG C 178.073 0.019 1
799 102 102 ASN N N 114.654 0.048 1
800 102 102 ASN ND2 N 110.984 0.127 1
801 103 103 PRO HA H 4.383 0.022 1
802 103 103 PRO HB2 H 2.355 0.023 2
803 103 103 PRO HB3 H 1.918 0.046 2
804 103 103 PRO C C 177.717 0.000 1
805 103 103 PRO CA C 63.918 0.155 1
806 103 103 PRO CB C 32.436 0.033 1
807 103 103 PRO CG C 24.601 0.000 1
808 103 103 PRO CD C 49.936 0.000 1
809 104 104 LYS H H 7.625 0.004 1
810 104 104 LYS HA H 3.620 0.019 1
811 104 104 LYS HB2 H 0.872 0.013 2
812 104 104 LYS HB3 H 0.400 0.014 2
813 104 104 LYS HG2 H 1.081 0.010 2
814 104 104 LYS HG3 H 0.481 0.019 2
815 104 104 LYS HD2 H 1.347 0.013 1
816 104 104 LYS HD3 H 1.347 0.013 1
817 104 104 LYS HE2 H 2.794 0.012 2
818 104 104 LYS HE3 H 2.696 0.022 2
819 104 104 LYS C C 176.203 0.000 1
820 104 104 LYS CA C 59.206 0.130 1
821 104 104 LYS CB C 32.984 0.068 1
822 104 104 LYS CG C 25.201 0.090 1
823 104 104 LYS CD C 29.381 0.080 1
824 104 104 LYS CE C 41.886 0.048 1
825 104 104 LYS N N 124.549 0.063 1
826 105 105 TRP H H 7.816 0.003 1
827 105 105 TRP HA H 5.196 0.034 1
828 105 105 TRP HB2 H 3.512 0.022 2
829 105 105 TRP HB3 H 2.534 0.028 2
830 105 105 TRP HE1 H 11.973 0.002 1
831 105 105 TRP C C 178.247 0.000 1
832 105 105 TRP CA C 55.284 0.120 1
833 105 105 TRP CB C 32.814 0.000 1
834 105 105 TRP N N 112.615 0.051 1
835 105 105 TRP NE1 N 133.718 0.016 1
836 106 106 SER H H 8.030 0.006 1
837 106 106 SER HA H 5.278 0.008 1
838 106 106 SER HB2 H 3.897 0.010 2
839 106 106 SER HB3 H 3.142 0.014 2
840 106 106 SER C C 171.632 0.000 1
841 106 106 SER CA C 58.190 0.094 1
842 106 106 SER CB C 67.276 0.078 1
843 106 106 SER N N 117.713 0.075 1
844 107 107 MET H H 9.734 0.007 1
845 107 107 MET HA H 4.686 0.021 1
846 107 107 MET C C 171.050 0.000 1
847 107 107 MET CA C 54.624 0.080 1
848 107 107 MET CB C 37.310 0.000 1
849 107 107 MET N N 120.965 0.045 1
850 108 108 VAL H H 6.346 0.010 1
851 108 108 VAL HA H 4.702 0.014 1
852 108 108 VAL HB H 2.625 0.011 1
853 108 108 VAL HG1 H 0.603 0.015 2
854 108 108 VAL HG2 H 0.895 0.015 2
855 108 108 VAL C C 174.408 0.000 1
856 108 108 VAL CA C 58.869 0.176 1
857 108 108 VAL CB C 35.437 0.091 1
858 108 108 VAL CG1 C 17.108 0.071 2
859 108 108 VAL CG2 C 21.611 0.125 2
860 108 108 VAL N N 106.067 0.067 1
861 109 109 ASP H H 8.154 0.008 1
862 109 109 ASP HA H 6.059 0.011 1
863 109 109 ASP HB2 H 2.586 0.018 2
864 109 109 ASP HB3 H 2.287 0.021 2
865 109 109 ASP C C 176.579 0.000 1
866 109 109 ASP CA C 53.385 0.122 1
867 109 109 ASP CB C 41.922 0.057 1
868 109 109 ASP N N 117.993 0.078 1
869 110 110 VAL H H 8.943 0.008 1
870 110 110 VAL HA H 5.474 0.017 1
871 110 110 VAL HB H 2.051 0.019 1
872 110 110 VAL HG1 H 1.233 0.010 2
873 110 110 VAL HG2 H 0.638 0.012 2
874 110 110 VAL C C 173.356 0.000 1
875 110 110 VAL CA C 58.265 0.184 1
876 110 110 VAL CB C 36.109 0.089 1
877 110 110 VAL CG1 C 20.414 0.131 2
878 110 110 VAL CG2 C 22.260 0.089 2
879 110 110 VAL N N 113.940 0.057 1
880 111 111 GLN H H 9.205 0.005 1
881 111 111 GLN HA H 5.635 0.014 1
882 111 111 GLN HG2 H 2.577 0.000 1
883 111 111 GLN HG3 H 2.577 0.000 1
884 111 111 GLN C C 176.112 0.000 1
885 111 111 GLN CA C 53.269 0.096 1
886 111 111 GLN CB C 34.840 0.000 1
887 111 111 GLN CG C 33.861 0.000 1
888 111 111 GLN N N 120.246 0.062 1
889 112 112 PHE H H 8.893 0.005 1
890 112 112 PHE HA H 4.069 0.011 1
891 112 112 PHE HB2 H 3.002 0.017 1
892 112 112 PHE HB3 H 3.002 0.017 1
893 112 112 PHE C C 173.259 0.000 1
894 112 112 PHE CA C 60.342 0.081 1
895 112 112 PHE CB C 41.117 0.009 1
896 112 112 PHE N N 126.126 0.049 1
897 113 113 VAL H H 8.294 0.010 1
898 113 113 VAL HA H 3.905 0.013 1
899 113 113 VAL HB H 1.409 0.018 1
900 113 113 VAL HG1 H 0.895 0.011 2
901 113 113 VAL HG2 H 0.821 0.025 2
902 113 113 VAL C C 174.699 0.000 1
903 113 113 VAL CA C 64.182 0.211 1
904 113 113 VAL CB C 33.711 0.069 1
905 113 113 VAL CG1 C 21.435 0.091 2
906 113 113 VAL CG2 C 20.506 0.080 2
907 113 113 VAL N N 126.938 0.056 1
908 114 114 ARG H H 6.812 0.014 1
909 114 114 ARG HA H 4.228 0.004 1
910 114 114 ARG C C 174.731 0.000 1
911 114 114 ARG CA C 55.990 0.108 1
912 114 114 ARG CB C 30.847 0.000 1
913 114 114 ARG N N 109.044 0.068 1
914 115 115 MET H H 8.775 0.004 1
915 115 115 MET HA H 5.038 0.005 1
916 115 115 MET C C 179.777 0.000 1
917 115 115 MET CA C 53.619 0.067 1
918 115 115 MET CB C 31.274 0.000 1
919 115 115 MET N N 117.963 0.059 1
920 116 116 MET H H 7.294 0.008 1
921 116 116 MET HA H 4.779 0.010 1
922 116 116 MET C C 178.518 0.000 1
923 116 116 MET CA C 54.582 0.066 1
924 116 116 MET CB C 32.398 0.000 1
925 116 116 MET N N 121.230 0.074 1
926 117 117 LYS H H 10.631 0.006 1
927 117 117 LYS HA H 3.861 0.010 1
928 117 117 LYS HB2 H 1.828 0.015 2
929 117 117 LYS HB3 H 1.733 0.010 2
930 117 117 LYS HG2 H 1.333 0.024 1
931 117 117 LYS HG3 H 1.333 0.024 1
932 117 117 LYS HD2 H 1.652 0.015 2
933 117 117 LYS HD3 H 1.544 0.019 2
934 117 117 LYS HE2 H 2.867 0.014 2
935 117 117 LYS HE3 H 2.783 0.003 2
936 117 117 LYS C C 177.015 0.000 1
937 117 117 LYS CA C 59.945 0.134 1
938 117 117 LYS CB C 32.645 0.077 1
939 117 117 LYS CG C 25.152 0.088 1
940 117 117 LYS CD C 29.483 0.080 1
941 117 117 LYS CE C 41.643 0.030 1
942 117 117 LYS N N 125.074 0.028 1
943 118 118 ARG H H 7.187 0.010 1
944 118 118 ARG HA H 4.396 0.014 1
945 118 118 ARG C C 172.331 0.000 1
946 118 118 ARG CA C 53.809 0.057 1
947 118 118 ARG CB C 32.572 0.157 1
948 118 118 ARG N N 110.346 0.064 1
949 119 119 PHE H H 8.384 0.010 1
950 119 119 PHE HA H 4.271 0.020 1
951 119 119 PHE C C 175.694 0.000 1
952 119 119 PHE CA C 59.032 0.154 1
953 119 119 PHE CB C 40.120 0.177 1
954 119 119 PHE N N 121.752 0.037 1
955 120 120 ILE H H 7.066 0.021 1
956 120 120 ILE HA H 4.576 0.016 1
957 120 120 ILE HB H 1.648 0.012 1
958 120 120 ILE HG12 H 1.315 0.014 2
959 120 120 ILE HG13 H 1.083 0.009 2
960 120 120 ILE HG2 H 0.652 0.011 1
961 120 120 ILE HD1 H 0.496 0.012 1
962 120 120 ILE CA C 56.457 0.103 1
963 120 120 ILE CB C 38.258 0.101 1
964 120 120 ILE CG1 C 26.307 0.087 1
965 120 120 ILE CG2 C 17.136 0.092 1
966 120 120 ILE CD1 C 12.588 0.064 1
967 120 120 ILE N N 127.184 0.044 1
968 121 121 PRO HA H 4.621 0.017 1
969 121 121 PRO HB2 H 2.723 0.015 2
970 121 121 PRO HB3 H 2.184 0.015 2
971 121 121 PRO HG2 H 2.185 0.019 1
972 121 121 PRO HG3 H 2.185 0.019 1
973 121 121 PRO HD2 H 3.716 0.018 1
974 121 121 PRO HD3 H 3.716 0.018 1
975 121 121 PRO C C 177.881 0.000 1
976 121 121 PRO CA C 62.578 0.209 1
977 121 121 PRO CB C 33.492 0.064 1
978 121 121 PRO CG C 27.939 0.055 1
979 121 121 PRO CD C 50.287 0.036 1
980 122 122 LEU H H 8.710 0.006 1
981 122 122 LEU HA H 4.160 0.013 1
982 122 122 LEU HB2 H 1.849 0.000 1
983 122 122 LEU HB3 H 1.849 0.000 1
984 122 122 LEU HG H 1.790 0.017 1
985 122 122 LEU HD1 H 1.204 0.010 2
986 122 122 LEU HD2 H 1.124 0.018 2
987 122 122 LEU C C 177.969 0.000 1
988 122 122 LEU CA C 58.352 0.062 1
989 122 122 LEU CB C 41.460 0.087 1
990 122 122 LEU CG C 27.458 0.023 1
991 122 122 LEU CD1 C 22.718 0.002 2
992 122 122 LEU CD2 C 25.289 0.083 2
993 122 122 LEU N N 125.256 0.053 1
994 123 123 ALA H H 8.885 0.008 1
995 123 123 ALA HA H 4.071 0.011 1
996 123 123 ALA HB H 1.486 0.008 1
997 123 123 ALA C C 180.090 0.000 1
998 123 123 ALA CA C 55.566 0.090 1
999 123 123 ALA CB C 18.754 0.070 1
1000 123 123 ALA N N 117.331 0.068 1
1001 124 124 GLU H H 7.114 0.012 1
1002 124 124 GLU HA H 4.027 0.017 1
1003 124 124 GLU C C 178.554 0.000 1
1004 124 124 GLU CA C 58.743 0.082 1
1005 124 124 GLU CB C 30.707 0.000 1
1006 124 124 GLU N N 118.773 0.049 1
1007 125 125 LEU H H 7.578 0.013 1
1008 125 125 LEU HA H 4.038 0.018 1
1009 125 125 LEU HB2 H 2.451 0.007 2
1010 125 125 LEU HB3 H 1.591 0.022 2
1011 125 125 LEU HD1 H 0.767 0.007 2
1012 125 125 LEU HD2 H 0.767 0.007 2
1013 125 125 LEU C C 177.980 0.000 1
1014 125 125 LEU CA C 58.428 0.135 1
1015 125 125 LEU CB C 42.037 0.122 1
1016 125 125 LEU CD1 C 23.630 0.000 1
1017 125 125 LEU CD2 C 23.630 0.000 1
1018 125 125 LEU N N 118.233 0.097 1
1019 126 126 LYS H H 9.296 0.006 1
1020 126 126 LYS HA H 3.142 0.014 1
1021 126 126 LYS HB2 H 1.862 0.019 1
1022 126 126 LYS HB3 H 1.862 0.019 1
1023 126 126 LYS HG2 H 1.570 0.004 2
1024 126 126 LYS HG3 H 1.474 0.017 2
1025 126 126 LYS HD2 H 1.727 0.027 2
1026 126 126 LYS HD3 H 1.590 0.020 2
1027 126 126 LYS HE2 H 3.007 0.019 1
1028 126 126 LYS HE3 H 3.007 0.019 1
1029 126 126 LYS C C 177.861 0.000 1
1030 126 126 LYS CA C 59.555 0.103 1
1031 126 126 LYS CB C 32.611 0.088 1
1032 126 126 LYS CG C 25.289 0.183 1
1033 126 126 LYS CD C 29.315 0.092 1
1034 126 126 LYS CE C 41.932 0.042 1
1035 126 126 LYS N N 119.141 0.054 1
1036 127 127 SER H H 7.488 0.012 1
1037 127 127 SER HA H 4.091 0.012 1
1038 127 127 SER HB2 H 3.801 0.013 1
1039 127 127 SER HB3 H 3.801 0.013 1
1040 127 127 SER C C 178.070 0.000 1
1041 127 127 SER CA C 61.558 0.126 1
1042 127 127 SER CB C 62.349 0.036 1
1043 127 127 SER N N 114.546 0.043 1
1044 128 128 TYR H H 7.542 0.005 1
1045 128 128 TYR HA H 3.920 0.008 1
1046 128 128 TYR HB2 H 2.767 0.011 2
1047 128 128 TYR HB3 H 2.296 0.025 2
1048 128 128 TYR C C 176.338 0.000 1
1049 128 128 TYR CA C 62.691 0.134 1
1050 128 128 TYR CB C 39.277 0.120 1
1051 128 128 TYR N N 119.622 0.108 1
1052 129 129 HIS H H 8.599 0.007 1
1053 129 129 HIS HA H 3.629 0.016 1
1054 129 129 HIS HB2 H 2.528 0.027 2
1055 129 129 HIS C C 175.958 0.000 1
1056 129 129 HIS CA C 60.450 0.096 1
1057 129 129 HIS CB C 28.619 0.000 1
1058 129 129 HIS N N 118.593 0.085 1
1059 130 130 GLN H H 8.117 0.010 1
1060 130 130 GLN HA H 3.452 0.009 1
1061 130 130 GLN HB2 H 2.029 0.020 2
1062 130 130 GLN HB3 H 1.951 0.023 2
1063 130 130 GLN HG2 H 2.448 0.017 2
1064 130 130 GLN HG3 H 2.283 0.016 2
1065 130 130 GLN C C 178.928 0.000 1
1066 130 130 GLN HE21 H 7.426 0.027 2
1067 130 130 GLN HE22 H 6.946 0.002 2
1068 130 130 GLN CA C 59.041 0.117 1
1069 130 130 GLN CB C 28.305 0.066 1
1070 130 130 GLN CG C 34.395 0.070 1
1071 130 130 GLN CD C 179.876 0.012 1
1072 130 130 GLN N N 114.765 0.060 1
1073 130 130 GLN NE2 N 111.071 0.137 1
1074 131 131 ALA H H 7.444 0.006 1
1075 131 131 ALA HA H 4.151 0.011 1
1076 131 131 ALA HB H 1.462 0.010 1
1077 131 131 ALA C C 180.343 0.000 1
1078 131 131 ALA CA C 54.941 0.093 1
1079 131 131 ALA CB C 17.954 0.083 1
1080 131 131 ALA N N 122.256 0.039 1
1081 132 132 HIS H H 8.948 0.006 1
1082 132 132 HIS HA H 4.542 0.009 1
1083 132 132 HIS C C 178.945 0.000 1
1084 132 132 HIS CA C 55.897 0.127 1
1085 132 132 HIS CB C 31.370 0.000 1
1086 132 132 HIS N N 117.444 0.059 1
1087 133 133 LYS H H 8.230 0.007 1
1088 133 133 LYS HA H 3.852 0.012 1
1089 133 133 LYS HB2 H 1.644 0.018 1
1090 133 133 LYS HB3 H 1.644 0.018 1
1091 133 133 LYS HG2 H 1.309 0.017 1
1092 133 133 LYS HG3 H 1.309 0.017 1
1093 133 133 LYS HD2 H 1.540 0.011 1
1094 133 133 LYS HD3 H 1.540 0.011 1
1095 133 133 LYS HE2 H 2.845 0.015 2
1096 133 133 LYS HE3 H 2.760 0.014 2
1097 133 133 LYS C C 177.764 0.000 1
1098 133 133 LYS CA C 59.928 0.102 1
1099 133 133 LYS CB C 32.054 0.069 1
1100 133 133 LYS CG C 25.017 0.008 1
1101 133 133 LYS CD C 29.514 0.095 1
1102 133 133 LYS CE C 41.627 0.119 1
1103 133 133 LYS N N 120.178 0.079 1
1104 134 134 ALA H H 7.273 0.006 1
1105 134 134 ALA HA H 4.388 0.013 1
1106 134 134 ALA HB H 1.563 0.011 1
1107 134 134 ALA C C 179.629 0.000 1
1108 134 134 ALA CA C 54.041 0.106 1
1109 134 134 ALA CB C 19.450 0.076 1
1110 134 134 ALA N N 118.798 0.042 1
1111 135 135 THR H H 7.770 0.004 1
1112 135 135 THR HA H 4.498 0.013 1
1113 135 135 THR HB H 4.491 0.011 1
1114 135 135 THR HG2 H 1.210 0.010 1
1115 135 135 THR C C 175.726 0.000 1
1116 135 135 THR CA C 61.487 0.142 1
1117 135 135 THR CB C 70.844 0.147 1
1118 135 135 THR CG2 C 21.712 0.084 1
1119 135 135 THR N N 104.787 0.038 1
1120 136 136 GLY H H 8.078 0.005 1
1121 136 136 GLY HA2 H 4.203 0.010 2
1122 136 136 GLY HA3 H 3.699 0.016 2
1123 136 136 GLY C C 174.776 0.000 1
1124 136 136 GLY CA C 46.281 0.050 1
1125 136 136 GLY N N 112.886 0.087 1
1126 137 137 GLY H H 8.025 0.003 1
1127 137 137 GLY HA2 H 3.793 0.026 2
1128 137 137 GLY HA3 H 3.010 0.014 2
1129 137 137 GLY C C 172.697 0.000 1
1130 137 137 GLY CA C 44.966 0.024 1
1131 137 137 GLY N N 107.528 0.049 1
1132 138 138 PRO HA H 4.035 0.008 1
1133 138 138 PRO HB2 H 2.107 0.020 2
1134 138 138 PRO HB3 H 1.239 0.025 2
1135 138 138 PRO HG2 H 1.860 0.007 2
1136 138 138 PRO HG3 H 1.482 0.008 2
1137 138 138 PRO HD2 H 3.126 0.017 2
1138 138 138 PRO C C 177.823 0.000 1
1139 138 138 PRO CA C 65.828 0.118 1
1140 138 138 PRO CB C 33.343 0.079 1
1141 138 138 PRO CG C 27.395 0.087 1
1142 138 138 PRO CD C 48.935 0.040 1
1143 139 139 LEU H H 11.118 0.008 1
1144 139 139 LEU HA H 4.683 0.013 1
1145 139 139 LEU HB2 H 1.987 0.000 2
1146 139 139 LEU HB3 H 1.854 0.019 2
1147 139 139 LEU HD1 H 1.086 0.011 2
1148 139 139 LEU HD2 H 1.086 0.011 2
1149 139 139 LEU C C 179.426 0.000 1
1150 139 139 LEU CA C 54.405 0.092 1
1151 139 139 LEU CB C 39.512 0.019 1
1152 139 139 LEU CD1 C 25.640 0.000 1
1153 139 139 LEU CD2 C 25.640 0.000 1
1154 139 139 LEU N N 115.838 0.074 1
1155 140 140 LYS H H 7.700 0.005 1
1156 140 140 LYS HA H 3.678 0.016 1
1157 140 140 LYS HB2 H 1.856 0.016 2
1158 140 140 LYS HB3 H 1.664 0.014 2
1159 140 140 LYS HG2 H 1.208 0.017 1
1160 140 140 LYS HG3 H 1.208 0.017 1
1161 140 140 LYS HD2 H 1.378 0.020 1
1162 140 140 LYS HD3 H 1.378 0.020 1
1163 140 140 LYS HE2 H 2.973 0.019 1
1164 140 140 LYS HE3 H 2.973 0.019 1
1165 140 140 LYS C C 173.870 0.000 1
1166 140 140 LYS CA C 60.644 0.079 1
1167 140 140 LYS CB C 32.828 0.074 1
1168 140 140 LYS CG C 23.897 0.127 1
1169 140 140 LYS CD C 23.889 0.129 1
1170 140 140 LYS CE C 42.101 0.007 1
1171 140 140 LYS N N 121.603 0.114 1
1172 141 141 ASN H H 9.239 0.006 1
1173 141 141 ASN HA H 5.260 0.014 1
1174 141 141 ASN HB2 H 3.066 0.018 2
1175 141 141 ASN HB3 H 2.509 0.020 2
1176 141 141 ASN HD21 H 7.709 0.001 2
1177 141 141 ASN HD22 H 6.971 0.005 2
1178 141 141 ASN C C 175.596 0.000 1
1179 141 141 ASN CA C 51.793 0.073 1
1180 141 141 ASN CB C 40.176 0.069 1
1181 141 141 ASN CG C 177.536 0.014 1
1182 141 141 ASN N N 116.300 0.055 1
1183 141 141 ASN ND2 N 113.099 0.160 1
1184 142 142 MET H H 7.103 0.017 1
1185 142 142 MET HA H 4.341 0.010 1
1186 142 142 MET HB2 H 2.771 0.008 2
1187 142 142 MET HB3 H 2.496 0.010 2
1188 142 142 MET C C 177.067 0.000 1
1189 142 142 MET CA C 58.498 0.128 1
1190 142 142 MET CB C 33.467 0.252 1
1191 142 142 MET N N 122.799 0.072 1
1192 143 143 VAL H H 9.244 0.011 1
1193 143 143 VAL HA H 3.833 0.007 1
1194 143 143 VAL HB H 1.824 0.016 1
1195 143 143 VAL HG1 H 1.152 0.018 2
1196 143 143 VAL HG2 H 0.886 0.012 2
1197 143 143 VAL C C 176.964 0.000 1
1198 143 143 VAL CA C 65.576 0.114 1
1199 143 143 VAL CB C 31.535 0.104 1
1200 143 143 VAL CG1 C 23.701 0.051 2
1201 143 143 VAL CG2 C 22.668 0.047 2
1202 143 143 VAL N N 131.414 0.065 1
1203 144 144 LEU H H 8.034 0.009 1
1204 144 144 LEU HA H 3.782 0.017 1
1205 144 144 LEU HB2 H 1.207 0.015 2
1206 144 144 LEU HB3 H 0.662 0.013 2
1207 144 144 LEU HG H 0.586 0.027 1
1208 144 144 LEU HD1 H 0.217 0.011 2
1209 144 144 LEU HD2 H 0.337 0.016 2
1210 144 144 LEU C C 176.903 0.000 1
1211 144 144 LEU CA C 56.546 0.055 1
1212 144 144 LEU CB C 42.735 0.081 1
1213 144 144 LEU CG C 26.137 0.040 1
1214 144 144 LEU CD1 C 21.954 0.112 2
1215 144 144 LEU CD2 C 25.847 0.096 2
1216 144 144 LEU N N 122.243 0.126 1
1217 145 145 PHE H H 6.847 0.013 1
1218 145 145 PHE HA H 4.390 0.025 1
1219 145 145 PHE HB2 H 3.041 0.008 2
1220 145 145 PHE C C 175.989 0.000 1
1221 145 145 PHE CA C 58.130 0.158 1
1222 145 145 PHE CB C 40.141 0.094 1
1223 145 145 PHE N N 111.525 0.068 1
1224 146 146 THR H H 7.792 0.004 1
1225 146 146 THR HA H 4.538 0.022 1
1226 146 146 THR HB H 4.350 0.036 1
1227 146 146 THR HG2 H 1.249 0.008 1
1228 146 146 THR C C 175.318 0.000 1
1229 146 146 THR CA C 62.528 0.166 1
1230 146 146 THR CB C 70.444 0.102 1
1231 146 146 THR CG2 C 21.884 0.074 1
1232 146 146 THR N N 111.077 0.049 1
1233 147 147 ARG H H 8.387 0.006 1
1234 147 147 ARG HA H 4.692 0.011 1
1235 147 147 ARG HB2 H 1.842 0.012 1
1236 147 147 ARG HB3 H 1.842 0.012 1
1237 147 147 ARG HG2 H 1.717 0.012 1
1238 147 147 ARG HG3 H 1.717 0.012 1
1239 147 147 ARG HD2 H 3.279 0.008 1
1240 147 147 ARG HD3 H 3.279 0.008 1
1241 147 147 ARG C C 174.696 0.000 1
1242 147 147 ARG CA C 54.698 0.068 1
1243 147 147 ARG CB C 30.111 0.089 1
1244 147 147 ARG CG C 26.634 0.076 1
1245 147 147 ARG CD C 43.323 0.023 1
1246 147 147 ARG N N 122.995 0.096 1
1247 148 148 GLN H H 8.344 0.007 1
1248 148 148 GLN HA H 4.009 0.023 1
1249 148 148 GLN HB2 H 2.063 0.019 2
1250 148 148 GLN HB3 H 1.989 0.022 2
1251 148 148 GLN HG2 H 2.369 0.018 1
1252 148 148 GLN HG3 H 2.369 0.018 1
1253 148 148 GLN HE21 H 7.534 0.008 2
1254 148 148 GLN HE22 H 6.907 0.052 2
1255 148 148 GLN CA C 58.093 0.143 1
1256 148 148 GLN CB C 29.635 0.091 1
1257 148 148 GLN CG C 34.143 0.064 1
1258 148 148 GLN CD C 180.249 0.025 1
1259 148 148 GLN N N 120.482 0.066 1
1260 148 148 GLN NE2 N 111.700 0.159 1
1261 149 149 ARG HA H 4.251 0.017 1
1262 149 149 ARG HB2 H 1.975 0.022 2
1263 149 149 ARG HB3 H 1.802 0.023 2
1264 149 149 ARG HG2 H 1.605 0.010 1
1265 149 149 ARG HG3 H 1.605 0.010 1
1266 149 149 ARG HD2 H 3.206 0.019 1
1267 149 149 ARG HD3 H 3.206 0.019 1
1268 149 149 ARG C C 176.038 0.000 1
1269 149 149 ARG CA C 56.021 0.068 1
1270 149 149 ARG CB C 29.540 0.074 1
1271 149 149 ARG CG C 27.594 0.061 1
1272 149 149 ARG CD C 43.295 0.046 1
1273 150 150 LEU H H 7.217 0.005 1
1274 150 150 LEU HA H 4.499 0.017 1
1275 150 150 LEU HB2 H 1.740 0.024 2
1276 150 150 LEU HB3 H 1.593 0.015 2
1277 150 150 LEU HG H 1.653 0.016 1
1278 150 150 LEU HD1 H 1.176 0.013 2
1279 150 150 LEU HD2 H 1.114 0.015 2
1280 150 150 LEU C C 177.496 0.000 1
1281 150 150 LEU CA C 54.621 0.077 1
1282 150 150 LEU CB C 43.907 0.032 1
1283 150 150 LEU CG C 27.539 0.088 1
1284 150 150 LEU CD1 C 24.180 0.044 2
1285 150 150 LEU CD2 C 25.468 0.071 2
1286 150 150 LEU N N 121.965 0.105 1
1287 151 151 SER HA H 4.199 0.018 1
1288 151 151 SER HB2 H 4.009 0.013 1
1289 151 151 SER HB3 H 4.009 0.013 1
1290 151 151 SER CA C 59.880 0.126 1
1291 151 151 SER CB C 63.953 0.033 1
1292 152 152 ILE H H 6.819 0.009 1
1293 152 152 ILE HA H 4.739 0.035 1
1294 152 152 ILE HB H 2.111 0.011 1
1295 152 152 ILE HG12 H 1.487 0.016 2
1296 152 152 ILE HG13 H 1.593 0.013 2
1297 152 152 ILE HG2 H 0.719 0.010 1
1298 152 152 ILE HD1 H 0.817 0.031 1
1299 152 152 ILE C C 174.190 0.000 1
1300 152 152 ILE CA C 59.158 0.112 1
1301 152 152 ILE CB C 39.127 0.033 1
1302 152 152 ILE CG2 C 18.477 0.066 1
1303 152 152 ILE CD1 C 12.908 0.059 1
1304 152 152 ILE N N 121.317 0.044 1
1305 153 153 GLN H H 8.924 0.010 1
1306 153 153 GLN HA H 4.934 0.004 1
1307 153 153 GLN C C 173.081 0.000 1
1308 153 153 GLN CA C 51.139 0.134 1
1309 153 153 GLN CB C 30.828 0.000 1
1310 153 153 GLN N N 118.888 0.081 1
1311 154 154 PRO HA H 4.377 0.007 1
1312 154 154 PRO C C 176.574 0.000 1
1313 154 154 PRO CA C 61.926 0.183 1
1314 154 154 PRO CB C 31.739 0.004 1
1315 155 155 LEU H H 7.776 0.008 1
1316 155 155 LEU HA H 4.913 0.010 1
1317 155 155 LEU HB2 H 1.848 0.027 2
1318 155 155 LEU HB3 H 1.054 0.031 2
1319 155 155 LEU HG H 1.808 0.010 1
1320 155 155 LEU HD1 H 1.039 0.011 2
1321 155 155 LEU HD2 H 0.973 0.020 2
1322 155 155 LEU C C 177.512 0.000 1
1323 155 155 LEU CA C 53.614 0.096 1
1324 155 155 LEU CB C 46.148 0.046 1
1325 155 155 LEU CG C 28.821 0.023 1
1326 155 155 LEU CD1 C 26.638 0.066 2
1327 155 155 LEU CD2 C 27.965 0.064 2
1328 155 155 LEU N N 123.043 0.041 1
1329 156 156 THR H H 8.838 0.008 1
1330 156 156 THR HA H 4.363 0.007 1
1331 156 156 THR HB H 4.682 0.008 1
1332 156 156 THR HG2 H 1.239 0.015 1
1333 156 156 THR C C 175.018 0.000 1
1334 156 156 THR CA C 60.457 0.092 1
1335 156 156 THR CB C 70.591 0.019 1
1336 156 156 THR CG2 C 22.008 0.097 1
1337 156 156 THR N N 113.972 0.059 1
1338 157 157 GLN H H 8.973 0.007 1
1339 157 157 GLN HA H 3.457 0.014 1
1340 157 157 GLN HB2 H 1.982 0.009 1
1341 157 157 GLN HB3 H 1.982 0.009 1
1342 157 157 GLN HG2 H 2.351 0.000 1
1343 157 157 GLN HG3 H 2.351 0.000 1
1344 157 157 GLN C C 177.248 0.000 1
1345 157 157 GLN CA C 59.196 0.084 1
1346 157 157 GLN CB C 28.831 0.032 1
1347 157 157 GLN CG C 32.692 0.000 1
1348 157 157 GLN N N 122.226 0.073 1
1349 158 158 GLU H H 8.600 0.008 1
1350 158 158 GLU HA H 4.209 0.016 1
1351 158 158 GLU HB2 H 2.131 0.017 2
1352 158 158 GLU HB3 H 1.916 0.023 2
1353 158 158 GLU HG2 H 2.366 0.025 2
1354 158 158 GLU HG3 H 2.333 0.023 2
1355 158 158 GLU C C 180.320 0.000 1
1356 158 158 GLU CA C 59.565 0.086 1
1357 158 158 GLU CB C 29.128 0.090 1
1358 158 158 GLU CG C 36.693 0.068 1
1359 158 158 GLU N N 115.511 0.056 1
1360 159 159 GLU H H 7.699 0.009 1
1361 159 159 GLU HA H 3.791 0.012 1
1362 159 159 GLU C C 177.690 0.000 1
1363 159 159 GLU CA C 59.245 0.138 1
1364 159 159 GLU CB C 30.610 0.000 1
1365 159 159 GLU N N 120.767 0.093 1
1366 160 160 PHE H H 8.297 0.008 1
1367 160 160 PHE HA H 3.888 0.017 1
1368 160 160 PHE HB2 H 2.800 0.024 2
1369 160 160 PHE HB3 H 2.630 0.020 2
1370 160 160 PHE C C 176.446 0.000 1
1371 160 160 PHE CA C 62.736 0.159 1
1372 160 160 PHE CB C 39.562 0.138 1
1373 160 160 PHE N N 119.668 0.056 1
1374 161 161 ASP H H 8.861 0.006 1
1375 161 161 ASP HA H 4.279 0.024 1
1376 161 161 ASP HB2 H 2.710 0.012 2
1377 161 161 ASP HB3 H 2.592 0.024 2
1378 161 161 ASP C C 179.606 0.000 1
1379 161 161 ASP CA C 57.093 0.133 1
1380 161 161 ASP CB C 40.248 0.096 1
1381 161 161 ASP N N 116.548 0.057 1
1382 162 162 PHE H H 8.056 0.008 1
1383 162 162 PHE HA H 4.074 0.010 1
1384 162 162 PHE HB2 H 3.203 0.006 2
1385 162 162 PHE HB3 H 3.039 0.018 2
1386 162 162 PHE C C 178.598 0.000 1
1387 162 162 PHE CA C 62.259 0.182 1
1388 162 162 PHE CB C 39.267 0.031 1
1389 162 162 PHE N N 121.112 0.075 1
1390 163 163 VAL H H 8.281 0.008 1
1391 163 163 VAL HA H 3.134 0.015 1
1392 163 163 VAL HB H 2.066 0.019 1
1393 163 163 VAL HG1 H 0.923 0.011 2
1394 163 163 VAL HG2 H 0.200 0.011 2
1395 163 163 VAL C C 177.433 0.000 1
1396 163 163 VAL CA C 67.878 0.196 1
1397 163 163 VAL CB C 30.572 0.076 1
1398 163 163 VAL CG1 C 22.850 0.058 2
1399 163 163 VAL CG2 C 23.138 0.054 2
1400 163 163 VAL N N 121.052 0.068 1
1401 164 164 LEU H H 7.813 0.009 1
1402 164 164 LEU HA H 3.871 0.016 1
1403 164 164 LEU HB2 H 1.646 0.009 2
1404 164 164 LEU HB3 H 1.427 0.013 2
1405 164 164 LEU HG H 1.483 0.006 1
1406 164 164 LEU HD1 H 0.664 0.009 2
1407 164 164 LEU HD2 H 0.708 0.010 2
1408 164 164 LEU C C 180.103 0.000 1
1409 164 164 LEU CA C 58.178 0.152 1
1410 164 164 LEU CB C 41.118 0.055 1
1411 164 164 LEU CG C 26.523 0.226 1
1412 164 164 LEU CD1 C 23.384 0.062 2
1413 164 164 LEU CD2 C 26.272 0.135 2
1414 164 164 LEU N N 116.304 0.053 1
1415 165 165 SER H H 7.634 0.004 1
1416 165 165 SER HA H 4.107 0.010 1
1417 165 165 SER HB2 H 3.781 0.010 1
1418 165 165 SER HB3 H 3.781 0.010 1
1419 165 165 SER C C 176.327 0.000 1
1420 165 165 SER CA C 61.349 0.260 1
1421 165 165 SER CB C 62.072 0.000 1
1422 165 165 SER N N 115.326 0.072 1
1423 166 166 LEU H H 7.342 0.006 1
1424 166 166 LEU HA H 3.861 0.015 1
1425 166 166 LEU HB2 H 1.944 0.018 2
1426 166 166 LEU HB3 H 1.134 0.015 2
1427 166 166 LEU HG H 1.349 0.014 1
1428 166 166 LEU HD1 H 0.648 0.012 2
1429 166 166 LEU HD2 H 0.216 0.012 2
1430 166 166 LEU C C 180.178 0.000 1
1431 166 166 LEU CA C 56.426 0.173 1
1432 166 166 LEU CB C 40.639 0.084 1
1433 166 166 LEU CG C 25.557 0.072 1
1434 166 166 LEU CD1 C 25.442 0.093 2
1435 166 166 LEU CD2 C 21.771 0.105 2
1436 166 166 LEU N N 121.269 0.055 1
1437 167 167 GLU H H 7.630 0.007 1
1438 167 167 GLU HA H 3.957 0.025 1
1439 167 167 GLU HB2 H 2.351 0.009 2
1440 167 167 GLU HB3 H 1.974 0.011 2
1441 167 167 GLU HG2 H 2.848 0.013 2
1442 167 167 GLU HG3 H 2.158 0.015 2
1443 167 167 GLU C C 175.329 0.000 1
1444 167 167 GLU CA C 58.927 0.137 1
1445 167 167 GLU CB C 29.736 0.095 1
1446 167 167 GLU CG C 36.539 0.052 1
1447 167 167 GLU N N 117.097 0.071 1
1448 168 168 GLU H H 7.004 0.010 1
1449 168 168 GLU HA H 4.303 0.010 1
1450 168 168 GLU HB2 H 2.235 0.020 2
1451 168 168 GLU HB3 H 1.788 0.020 2
1452 168 168 GLU HG2 H 2.318 0.018 2
1453 168 168 GLU HG3 H 2.198 0.021 2
1454 168 168 GLU C C 176.374 0.000 1
1455 168 168 GLU CA C 55.634 0.096 1
1456 168 168 GLU CB C 30.286 0.076 1
1457 168 168 GLU CG C 35.770 0.126 1
1458 168 168 GLU N N 115.001 0.049 1
1459 169 169 LEU H H 7.351 0.005 1
1460 169 169 LEU HA H 4.334 0.010 1
1461 169 169 LEU HB2 H 1.630 0.024 2
1462 169 169 LEU HB3 H 1.484 0.012 2
1463 169 169 LEU HG H 1.688 0.019 1
1464 169 169 LEU HD1 H 0.858 0.014 2
1465 169 169 LEU HD2 H 0.805 0.014 2
1466 169 169 LEU C C 177.101 0.000 1
1467 169 169 LEU CA C 54.634 0.051 1
1468 169 169 LEU CB C 42.730 0.145 1
1469 169 169 LEU CG C 26.731 0.045 1
1470 169 169 LEU CD1 C 25.457 0.000 2
1471 169 169 LEU CD2 C 23.077 0.032 2
1472 169 169 LEU N N 120.397 0.066 1
1473 170 170 GLU H H 8.439 0.005 1
1474 170 170 GLU HA H 4.229 0.010 1
1475 170 170 GLU HB2 H 1.910 0.016 2
1476 170 170 GLU HB3 H 1.835 0.018 2
1477 170 170 GLU HG2 H 2.138 0.020 2
1478 170 170 GLU HG3 H 2.213 0.013 2
1479 170 170 GLU C C 176.039 0.022 1
1480 170 170 GLU CA C 56.367 0.111 1
1481 170 170 GLU CB C 30.661 0.051 1
1482 170 170 GLU CG C 36.529 0.065 1
1483 170 170 GLU N N 121.278 0.090 1
1484 171 171 HIS H H 8.326 0.008 1
1485 171 171 HIS C C 174.666 0.000 1
1486 171 171 HIS CA C 55.992 0.106 1
1487 171 171 HIS CB C 30.722 0.000 1
1488 171 171 HIS N N 120.066 0.097 1
stop_
save_