data_11060
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Unusual Thermal Disassembly of the SPFH Domain Oligomer from Pyrococcus
horikoshii
;
_BMRB_accession_number 11060
_BMRB_flat_file_name bmr11060.str
_Entry_type original
_Submission_date 2008-11-26
_Accession_date 2008-11-26
_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 Kuwahara Yohta . .
2 Unzai Satoru . .
3 Nagata Takashi . .
4 Hiroaki Yoko . .
5 Yokoyama Hideshi . .
6 Matsui Ikuo . .
7 Ikegami Takahisa . .
8 Fujiyoshi Yoshinori . .
9 Hiroaki Hidekazu . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 633
"13C chemical shifts" 395
"15N chemical shifts" 115
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-01-11 original author .
stop_
_Original_release_date 2010-01-11
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Unusual Thermal Disassembly of the SPFH Domain Oligomer from Pyrococcus
horikoshii
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19804735
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Kuwahara Yohta . .
2 Unzai Satoru . .
3 Nagata Takashi . .
4 Hiroaki Yoko . .
5 Yokoyama Hideshi . .
6 Matsui Ikuo . .
7 Ikegami Takahisa . .
8 Fujiyoshi Yoshinori . .
9 Hiroaki Hidekazu . .
stop_
_Journal_abbreviation 'Biophysical J.'
_Journal_name_full 'Biophysical Journal'
_Journal_volume 97
_Journal_issue 7
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 2034
_Page_last 2043
_Year 2009
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name PH0470
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'SPFH domain' $entity_1
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_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'SPFH domain'
_Molecular_mass 12868.851
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 113
_Mol_residue_sequence
;
GSDHVDLREHVIDVPPQEVI
CKDNVVVTVDAVVYYQVIDP
VKAVYNVSDFLMAIVKLAQT
NLRAIIGEMELDETLSGRDI
INARLREELDKITDRWGVKI
TRVEIQRIDPPKD
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 62 GLY 2 63 SER 3 64 ASP 4 65 HIS 5 66 VAL
6 67 ASP 7 68 LEU 8 69 ARG 9 70 GLU 10 71 HIS
11 72 VAL 12 73 ILE 13 74 ASP 14 75 VAL 15 76 PRO
16 77 PRO 17 78 GLN 18 79 GLU 19 80 VAL 20 81 ILE
21 82 CYS 22 83 LYS 23 84 ASP 24 85 ASN 25 86 VAL
26 87 VAL 27 88 VAL 28 89 THR 29 90 VAL 30 91 ASP
31 92 ALA 32 93 VAL 33 94 VAL 34 95 TYR 35 96 TYR
36 97 GLN 37 98 VAL 38 99 ILE 39 100 ASP 40 101 PRO
41 102 VAL 42 103 LYS 43 104 ALA 44 105 VAL 45 106 TYR
46 107 ASN 47 108 VAL 48 109 SER 49 110 ASP 50 111 PHE
51 112 LEU 52 113 MET 53 114 ALA 54 115 ILE 55 116 VAL
56 117 LYS 57 118 LEU 58 119 ALA 59 120 GLN 60 121 THR
61 122 ASN 62 123 LEU 63 124 ARG 64 125 ALA 65 126 ILE
66 127 ILE 67 128 GLY 68 129 GLU 69 130 MET 70 131 GLU
71 132 LEU 72 133 ASP 73 134 GLU 74 135 THR 75 136 LEU
76 137 SER 77 138 GLY 78 139 ARG 79 140 ASP 80 141 ILE
81 142 ILE 82 143 ASN 83 144 ALA 84 145 ARG 85 146 LEU
86 147 ARG 87 148 GLU 88 149 GLU 89 150 LEU 90 151 ASP
91 152 LYS 92 153 ILE 93 154 THR 94 155 ASP 95 156 ARG
96 157 TRP 97 158 GLY 98 159 VAL 99 160 LYS 100 161 ILE
101 162 THR 102 163 ARG 103 164 VAL 104 165 GLU 105 166 ILE
106 167 GLN 107 168 ARG 108 169 ILE 109 170 ASP 110 171 PRO
111 172 PRO 112 173 LYS 113 174 ASP
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
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 2RPB "The Solution Structure Of Membrane Protein" 100.00 113 100.00 100.00 3.33e-73
DBJ BAA29558 "298aa long hypothetical membrane protein [Pyrococcus horikoshii OT3]" 96.46 298 100.00 100.00 6.29e-69
EMBL CAB50468 "Stomatin-like protein [Pyrococcus abyssi GE5]" 96.46 299 97.25 100.00 4.74e-68
GB AEC52040 "Hypothetical membrane protease subunit [Pyrococcus sp. NA2]" 96.46 296 99.08 100.00 1.35e-68
REF WP_013748594 "hypothetical protein [Pyrococcus sp. NA2]" 96.46 296 99.08 100.00 1.35e-68
REF WP_048053138 "hypothetical protein [Pyrococcus horikoshii]" 96.46 294 100.00 100.00 5.92e-69
REF WP_048147080 "hypothetical protein [Pyrococcus abyssi]" 96.46 298 97.25 100.00 5.08e-68
TPE CCE71018 "TPA: stomatin-like protein [Pyrococcus abyssi GE5]" 96.46 298 97.25 100.00 5.08e-68
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
_Gene_mnemonic
$entity_1 'Pyrococcus horikoshii' 53953 Archaea . Pyrococcus horikoshii OT3 PH0470
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
$entity_1 'recombinant technology' . Escherichia coli 'BL21 codonplus(DE3)-RIL' pGEX-4T3
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.7 mM '[U-100% 13C; U-100% 15N]'
HEPES 20 mM 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.8 mM '[U-100% 13C]'
HEPES 20 mM 'natural abundance'
D2O 100 % .
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2.3
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_Molmol
_Saveframe_category software
_Name Molmol
_Version 2K.2
loop_
_Vendor
_Address
_Electronic_address
'Koradi, Billeter and Wuthrich' . .
stop_
loop_
_Task
'data analysis'
refinement
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version 3.106
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
refinement
stop_
_Details .
save_
save_xwinnmr
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 800
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 900
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_CBCANH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCANH'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HN(CO)CA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_3D_CC(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CC(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCC(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCC(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_2
save_
save_3D_13C-editted_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-editted NOESY'
_Sample_label $sample_2
save_
save_3D_15N-editted_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-editted NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0 . mM
pH 7.5 . 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
dioxane C 13 'methylene carbons' ppm 69.46 external direct . . . 1.0
TMS H 1 'methyl protons' ppm 0 external direct . . . 1.0
TMS N 15 'methyl protons' ppm 0 external indirect . . . 0.10136767
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
'2D 1H-15N HSQC'
'3D CBCANH'
'3D CBCA(CO)NH'
'3D HNCO'
'3D HNCA'
'3D HN(CO)CA'
'3D CC(CO)NH'
'3D HCC(CO)NH'
'3D HCCH-TOCSY'
'3D 13C-editted NOESY'
'3D 15N-editted NOESY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'SPFH domain'
_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 63 2 SER HA H 4.66 0.001 1
2 63 2 SER HB2 H 3.992 0 2
3 63 2 SER HB3 H 3.951 0 2
4 63 2 SER CB C 63.645 0.001 1
5 64 3 ASP HA H 4.688 0 1
6 64 3 ASP HB2 H 2.743 0 2
7 64 3 ASP HB3 H 2.693 0 2
8 64 3 ASP H H 8.603 0 1
9 64 3 ASP CA C 54.354 0 1
10 64 3 ASP CB C 40.98 0.011 1
11 64 3 ASP N N 122.069 0 1
12 65 4 HIS HA H 4.735 0 1
13 65 4 HIS HB2 H 3.234 0 2
14 65 4 HIS HB3 H 3.21 0 2
15 65 4 HIS HD2 H 7.139 0 1
16 65 4 HIS HE1 H 8.072 0 1
17 65 4 HIS H H 8.354 0 1
18 65 4 HIS CA C 56.22 0 1
19 65 4 HIS CB C 30.57 0.004 1
20 65 4 HIS CD2 C 119.807 0 1
21 65 4 HIS CE1 C 138.053 0 1
22 65 4 HIS N N 119.219 0 1
23 66 5 VAL HG1 H 0.999 0 1
24 66 5 VAL HG2 H 1.003 0 1
25 66 5 VAL HA H 4.183 0 1
26 66 5 VAL HB H 2.138 0 1
27 66 5 VAL H H 8.073 0 1
28 66 5 VAL CA C 62.127 0 1
29 66 5 VAL CB C 32.96 0 1
30 66 5 VAL CG1 C 20.568 0 2
31 66 5 VAL CG2 C 20.494 0 2
32 66 5 VAL N N 121.775 0 1
33 67 6 ASP CA C 53.727 0 1
34 67 6 ASP CB C 41.472 0.002 1
35 67 6 ASP HA H 4.771 0 1
36 67 6 ASP HB2 H 2.957 0 2
37 67 6 ASP HB3 H 2.801 0 2
38 67 6 ASP H H 8.615 0 1
39 67 6 ASP N N 124.725 0 1
40 68 7 LEU CA C 54.586 0 1
41 68 7 LEU CB C 41.657 0.009 1
42 68 7 LEU CD1 C 25.286 0 2
43 68 7 LEU CD2 C 22.995 0 2
44 68 7 LEU CG C 26.864 0 1
45 68 7 LEU HA H 4.556 0 1
46 68 7 LEU HB2 H 1.795 0 2
47 68 7 LEU HB3 H 1.732 0 2
48 68 7 LEU HG H 1.727 0 1
49 68 7 LEU H H 8.441 0 1
50 68 7 LEU N N 123.747 0 1
51 68 7 LEU HD1 H 1.013 0 1
52 68 7 LEU HD2 H 0.921 0 1
53 69 8 ARG CA C 56.247 0 1
54 69 8 ARG CB C 30.828 0.009 1
55 69 8 ARG CD C 43.257 0.005 1
56 69 8 ARG CG C 26.84 0 1
57 69 8 ARG HA H 4.253 0 1
58 69 8 ARG HB2 H 1.828 0 2
59 69 8 ARG HB3 H 1.753 0 2
60 69 8 ARG HD2 H 3.277 0 2
61 69 8 ARG HD3 H 3.23 0 2
62 69 8 ARG H H 8.209 0 1
63 69 8 ARG N N 121.063 0 1
64 69 8 ARG HG2 H 1.604 0 2
65 70 9 GLU CA C 55.691 0 1
66 70 9 GLU CB C 31.777 0.004 1
67 70 9 GLU CG C 38.009 0 1
68 70 9 GLU HA H 4.655 0 1
69 70 9 GLU HB2 H 2.119 0 2
70 70 9 GLU HB3 H 1.958 0 2
71 70 9 GLU H H 8.338 0 1
72 70 9 GLU N N 121.677 0 1
73 70 9 GLU HG2 H 2.288 0 2
74 71 10 HIS CA C 54.619 0 1
75 71 10 HIS CB C 32.189 0.011 1
76 71 10 HIS CD2 C 120.557 0 1
77 71 10 HIS CE1 C 137.207 0 1
78 71 10 HIS HA H 4.716 0 1
79 71 10 HIS HB2 H 2.874 0 2
80 71 10 HIS HB3 H 1.631 0 2
81 71 10 HIS HD2 H 6.941 0 1
82 71 10 HIS HE1 H 8.096 0 1
83 71 10 HIS H H 9.043 0 1
84 71 10 HIS N N 125.575 0 1
85 72 11 VAL CA C 60.567 0 1
86 72 11 VAL CB C 35.38 0 1
87 72 11 VAL CG1 C 20.584 0 2
88 72 11 VAL CG2 C 21.395 0 2
89 72 11 VAL HA H 4.951 0 1
90 72 11 VAL HB H 1.781 0 1
91 72 11 VAL H H 8.218 0 1
92 72 11 VAL N N 117.348 0 1
93 72 11 VAL HG1 H 0.678 0 1
94 72 11 VAL HG2 H 0.583 0 1
95 73 12 ILE CA C 59.857 0 1
96 73 12 ILE CB C 41.969 0 1
97 73 12 ILE CD1 C 14.87 0 1
98 73 12 ILE CG1 C 27.752 0.01 1
99 73 12 ILE CG2 C 17.204 0 1
100 73 12 ILE HA H 4.464 0 1
101 73 12 ILE HB H 1.82 0 1
102 73 12 ILE HG12 H 1.719 0.004 2
103 73 12 ILE HG13 H 1.201 0.014 2
104 73 12 ILE H H 9.272 0 1
105 73 12 ILE N N 126.908 0 1
106 73 12 ILE HD1 H 0.799 0 1
107 73 12 ILE HG2 H 0.839 0 1
108 74 13 ASP CB C 41.534 0.008 1
109 74 13 ASP HA H 4.885 0 1
110 74 13 ASP HB2 H 2.606 0 2
111 74 13 ASP HB3 H 2.555 0 2
112 74 13 ASP H H 8.501 0 1
113 74 13 ASP N N 126.253 0 1
114 75 14 VAL CA C 59.55 0 1
115 75 14 VAL CB C 32.27 0 1
116 75 14 VAL CG1 C 21.629 0 2
117 75 14 VAL CG2 C 21.492 0 2
118 75 14 VAL HA H 4.491 0 1
119 75 14 VAL HB H 2.219 0 1
120 75 14 VAL H H 8.758 0 1
121 75 14 VAL N N 124.997 0 1
122 75 14 VAL HG1 H 1.1 0 1
123 75 14 VAL HG2 H 0.831 0 1
124 76 15 PRO CB C 30.981 0.005 1
125 76 15 PRO CD C 51.88 0.001 1
126 76 15 PRO CG C 27.153 0 1
127 76 15 PRO HA H 4.837 0 1
128 76 15 PRO HB2 H 2.6 0 2
129 76 15 PRO HB3 H 1.913 0 2
130 76 15 PRO HD2 H 4.215 0 2
131 76 15 PRO HD3 H 3.572 0 2
132 76 15 PRO HG2 H 2.1 0 2
133 77 16 PRO CB C 32.267 0.011 1
134 77 16 PRO CD C 50.578 0.003 1
135 77 16 PRO CG C 27.545 0 1
136 77 16 PRO HA H 4.881 0.002 1
137 77 16 PRO HB2 H 2.142 0 2
138 77 16 PRO HB3 H 1.903 0 2
139 77 16 PRO HD2 H 3.983 0 2
140 77 16 PRO HD3 H 3.748 0 2
141 77 16 PRO HG2 H 2.147 0 2
142 78 17 GLN CA C 53.332 0 1
143 78 17 GLN CB C 33.352 0.015 1
144 78 17 GLN CG C 33.202 0.02 1
145 78 17 GLN HA H 4.768 0 1
146 78 17 GLN HB2 H 2.618 0 2
147 78 17 GLN HB3 H 2.191 0 2
148 78 17 GLN HG2 H 2.084 0 2
149 78 17 GLN HG3 H 2.015 0 2
150 78 17 GLN H H 8.612 0 1
151 78 17 GLN N N 119.55 0 1
152 78 17 GLN NE2 N 110.276 0 1
153 78 17 GLN HE21 H 7.152 0 4
154 78 17 GLN HE22 H 7.152 0 4
155 79 18 GLU CA C 55.955 0 1
156 79 18 GLU CB C 30.087 0.005 1
157 79 18 GLU CG C 37.055 0 1
158 79 18 GLU HA H 5.07 0 1
159 79 18 GLU HB2 H 2.024 0 2
160 79 18 GLU HB3 H 1.843 0 2
161 79 18 GLU HG2 H 2.318 0 2
162 79 18 GLU HG3 H 2.221 0 2
163 79 18 GLU H H 8.626 0 1
164 79 18 GLU N N 123.226 0 1
165 80 19 VAL CA C 60.191 0 1
166 80 19 VAL CB C 34.901 0 1
167 80 19 VAL CG1 C 23.014 0 2
168 80 19 VAL CG2 C 21.243 0 2
169 80 19 VAL HA H 4.562 0 1
170 80 19 VAL HB H 2.112 0 1
171 80 19 VAL H H 9.568 0 1
172 80 19 VAL N N 123.365 0 1
173 80 19 VAL HG1 H 0.963 0 1
174 80 19 VAL HG2 H 0.878 0 1
175 81 20 ILE CA C 60.81 0 1
176 81 20 ILE CB C 39.198 0 1
177 81 20 ILE CD1 C 13.505 0 1
178 81 20 ILE CG1 C 28.289 0.019 1
179 81 20 ILE CG2 C 17.618 0 1
180 81 20 ILE HA H 4.678 0 1
181 81 20 ILE HB H 1.813 0 1
182 81 20 ILE HG12 H 1.662 0 2
183 81 20 ILE HG13 H 1.188 0 2
184 81 20 ILE H H 8.048 0 1
185 81 20 ILE N N 122.564 0 1
186 81 20 ILE HD1 H 0.96 0 1
187 81 20 ILE HG2 H 1.133 0 1
188 82 21 CYS CB C 29.386 0.002 1
189 82 21 CYS HA H 4.932 0.001 1
190 82 21 CYS HB2 H 3.693 0 2
191 82 21 CYS HB3 H 3.251 0 2
192 82 21 CYS H H 8.796 0 1
193 82 21 CYS N N 125.96 0 1
194 83 22 LYS CA C 59.33 0 1
195 83 22 LYS CB C 33.478 0.003 1
196 83 22 LYS CD C 29.717 0.002 1
197 83 22 LYS CE C 41.859 0 1
198 83 22 LYS CG C 24.594 0.006 1
199 83 22 LYS HA H 4.096 0 1
200 83 22 LYS HB2 H 1.693 0 2
201 83 22 LYS HB3 H 1.313 0 2
202 83 22 LYS HD2 H 1.767 0 2
203 83 22 LYS HD3 H 1.689 0 2
204 83 22 LYS HG2 H 1.594 0 2
205 83 22 LYS HG3 H 1.523 0 2
206 83 22 LYS H H 8.735 0 1
207 83 22 LYS N N 123.785 0 1
208 83 22 LYS HE2 H 3.085 0 2
209 84 23 ASP CA C 53.011 0 1
210 84 23 ASP CB C 38.642 0.01 1
211 84 23 ASP HA H 4.694 0 1
212 84 23 ASP HB2 H 3.15 0 2
213 84 23 ASP HB3 H 2.733 0 2
214 84 23 ASP H H 8.667 0 1
215 84 23 ASP N N 112.676 0 1
216 85 24 ASN CA C 54.989 0 1
217 85 24 ASN CB C 36.698 0.004 1
218 85 24 ASN HA H 4.321 0 1
219 85 24 ASN HB2 H 3.169 0 2
220 85 24 ASN HB3 H 3.061 0 2
221 85 24 ASN HD21 H 7.597 0 2
222 85 24 ASN HD22 H 6.887 0 2
223 85 24 ASN H H 8.264 0 1
224 85 24 ASN N N 112.321 0 1
225 85 24 ASN ND2 N 112.606 0 1
226 86 25 VAL CA C 61.92 0 1
227 86 25 VAL CB C 33.581 0 1
228 86 25 VAL CG1 C 22.057 0 2
229 86 25 VAL CG2 C 21.279 0 2
230 86 25 VAL HA H 4.247 0 1
231 86 25 VAL HB H 1.97 0 1
232 86 25 VAL H H 6.817 0 1
233 86 25 VAL N N 117.663 0 1
234 86 25 VAL HG1 H 1.102 0 1
235 86 25 VAL HG2 H 0.989 0 1
236 87 26 VAL CA C 62.127 0 1
237 87 26 VAL CB C 32.468 0 1
238 87 26 VAL CG1 C 21.795 0 2
239 87 26 VAL CG2 C 21.591 0 2
240 87 26 VAL HA H 4.71 0 1
241 87 26 VAL HB H 2.025 0 1
242 87 26 VAL H H 8.467 0 1
243 87 26 VAL N N 128.149 0 1
244 87 26 VAL HG1 H 1.036 0 1
245 87 26 VAL HG2 H 0.909 0 1
246 88 27 VAL CA C 58.409 0 1
247 88 27 VAL CB C 34.991 0 1
248 88 27 VAL CG1 C 17.276 0 2
249 88 27 VAL CG2 C 20.703 0 2
250 88 27 VAL HA H 4.995 0 1
251 88 27 VAL HB H 1.849 0 1
252 88 27 VAL H H 8.983 0 1
253 88 27 VAL N N 119.421 0 1
254 88 27 VAL HG1 H 0.82 0 1
255 88 27 VAL HG2 H 0.809 0 1
256 89 28 THR CA C 62.18 0 1
257 89 28 THR CB C 69.351 0 1
258 89 28 THR CG2 C 21.631 0 1
259 89 28 THR HA H 5.249 0 1
260 89 28 THR HB H 4.053 0 1
261 89 28 THR H H 8.544 0 1
262 89 28 THR N N 118.81 0 1
263 89 28 THR HG2 H 1.159 0 1
264 90 29 VAL CA C 58.826 0 1
265 90 29 VAL CB C 36.035 0 1
266 90 29 VAL CG1 C 21.734 0 2
267 90 29 VAL CG2 C 21.734 0 2
268 90 29 VAL HA H 5.527 0 1
269 90 29 VAL HB H 1.989 0 1
270 90 29 VAL H H 8.818 0 1
271 90 29 VAL N N 123.67 0 1
272 90 29 VAL HG1 H 1.061 0 1
273 90 29 VAL HG2 H 1.061 0 1
274 91 30 ASP CA C 52.821 0 1
275 91 30 ASP CB C 42.96 0.001 1
276 91 30 ASP HA H 4.785 0 1
277 91 30 ASP HB2 H 3.325 0 2
278 91 30 ASP HB3 H 2.52 0 2
279 91 30 ASP H H 8.478 0 1
280 91 30 ASP N N 125.411 0 1
281 92 31 ALA CA C 51.718 0 1
282 92 31 ALA CB C 22.216 0 1
283 92 31 ALA HA H 5.268 0 1
284 92 31 ALA H H 8.075 0 1
285 92 31 ALA N N 116.806 0 1
286 92 31 ALA HB H 1.239 0 1
287 93 32 VAL CB C 34.772 0 1
288 93 32 VAL CG1 C 21.011 0 2
289 93 32 VAL CG2 C 22.162 0 2
290 93 32 VAL HA H 4.901 0 1
291 93 32 VAL HB H 1.898 0 1
292 93 32 VAL H H 8.306 0 1
293 93 32 VAL N N 117.482 0 1
294 93 32 VAL HG1 H 1.002 0 1
295 93 32 VAL HG2 H 0.756 0 1
296 94 33 VAL CA C 61.058 0 1
297 94 33 VAL CB C 34.773 0 1
298 94 33 VAL CG1 C 21.926 0 2
299 94 33 VAL CG2 C 20.939 0 2
300 94 33 VAL HA H 4.515 0 1
301 94 33 VAL HB H 2.013 0 1
302 94 33 VAL H H 8.873 0 1
303 94 33 VAL N N 124.653 0 1
304 94 33 VAL HG1 H 1.076 0 1
305 94 33 VAL HG2 H 0.83 0 1
306 95 34 TYR CA C 56.333 0 1
307 95 34 TYR CB C 40.336 0.005 1
308 95 34 TYR CD1 C 133.309 0 3
309 95 34 TYR CE1 C 117.864 0 3
310 95 34 TYR HA H 5.834 0 1
311 95 34 TYR HB2 H 3.178 0 2
312 95 34 TYR HB3 H 2.777 0 2
313 95 34 TYR HD1 H 6.874 0 3
314 95 34 TYR HE1 H 6.604 0 3
315 95 34 TYR H H 8.989 0 1
316 95 34 TYR N N 126.081 0 1
317 95 34 TYR CD2 C 133.309 0 3
318 95 34 TYR CE2 C 117.864 0 3
319 96 35 TYR CA C 55.679 0 1
320 96 35 TYR CB C 42.824 0.005 1
321 96 35 TYR CD1 C 133.127 0 3
322 96 35 TYR CE1 C 117.811 0 3
323 96 35 TYR HA H 6.097 0 1
324 96 35 TYR HB2 H 3.124 0 2
325 96 35 TYR HB3 H 2.843 0 2
326 96 35 TYR HD1 H 6.862 0 3
327 96 35 TYR HE1 H 6.584 0 3
328 96 35 TYR H H 9.102 0 1
329 96 35 TYR N N 117.188 0 1
330 96 35 TYR CD2 C 133.127 0 3
331 96 35 TYR CE2 C 117.811 0 3
332 97 36 GLN CB C 33.643 0 1
333 97 36 GLN CG C 33.687 0.012 1
334 97 36 GLN HA H 4.942 0.001 1
335 97 36 GLN HE21 H 7.273 0 2
336 97 36 GLN HE22 H 6.765 0 2
337 97 36 GLN HG2 H 2.324 0 2
338 97 36 GLN HG3 H 2.259 0 2
339 97 36 GLN H H 9.441 0 1
340 97 36 GLN N N 118 0 1
341 97 36 GLN NE2 N 110.209 0.001 1
342 97 36 GLN HB2 H 1.978 0 2
343 98 37 VAL CA C 63.621 0 1
344 98 37 VAL CB C 31.38 0 1
345 98 37 VAL CG1 C 21.391 0 2
346 98 37 VAL CG2 C 21.341 0 2
347 98 37 VAL HA H 4.286 0 1
348 98 37 VAL HB H 2.347 0 1
349 98 37 VAL H H 9.692 0 1
350 98 37 VAL N N 126.436 0 1
351 98 37 VAL HG1 H 1.16 0 1
352 98 37 VAL HG2 H 0.933 0 1
353 99 38 ILE CA C 61.011 0 1
354 99 38 ILE CB C 38.943 0 1
355 99 38 ILE CD1 C 12.972 0 1
356 99 38 ILE CG1 C 27.101 0.012 1
357 99 38 ILE CG2 C 18.499 0 1
358 99 38 ILE HA H 4.514 0 1
359 99 38 ILE HB H 2.02 0 1
360 99 38 ILE HG12 H 1.367 0 2
361 99 38 ILE HG13 H 1.156 0 2
362 99 38 ILE H H 8.54 0 1
363 99 38 ILE N N 123.48 0 1
364 99 38 ILE HD1 H 0.909 0 1
365 99 38 ILE HG2 H 0.979 0 1
366 100 39 ASP CA C 50.85 0 1
367 100 39 ASP CB C 41.979 0 1
368 100 39 ASP HA H 5.326 0 1
369 100 39 ASP HB2 H 3.056 0 2
370 100 39 ASP HB3 H 2.645 0 2
371 100 39 ASP H H 8.135 0 1
372 100 39 ASP N N 119.056 0 1
373 101 40 PRO CA C 64.279 0 1
374 101 40 PRO CB C 32.51 0.006 1
375 101 40 PRO CD C 50.865 0.001 1
376 101 40 PRO CG C 27.062 0.045 1
377 101 40 PRO HA H 4.299 0 1
378 101 40 PRO HB2 H 2.447 0 2
379 101 40 PRO HB3 H 2.155 0 2
380 101 40 PRO HD2 H 4.138 0 2
381 101 40 PRO HD3 H 3.698 0 2
382 101 40 PRO HG2 H 2.204 0 2
383 101 40 PRO HG3 H 2.133 0 2
384 102 41 VAL CA C 65.12 0 1
385 102 41 VAL CB C 31.406 0 1
386 102 41 VAL CG1 C 22.44 0 2
387 102 41 VAL CG2 C 21.081 0 2
388 102 41 VAL HA H 3.886 0 1
389 102 41 VAL HB H 2.388 0 1
390 102 41 VAL H H 7.936 0 1
391 102 41 VAL N N 118.168 0 1
392 102 41 VAL HG1 H 1.134 0 1
393 102 41 VAL HG2 H 1.051 0 1
394 103 42 LYS CA C 57.852 0 1
395 103 42 LYS CB C 33.597 0.002 1
396 103 42 LYS CD C 29.627 0 1
397 103 42 LYS CE C 41.745 0 1
398 103 42 LYS CG C 25.865 0.015 1
399 103 42 LYS HA H 4.242 0 1
400 103 42 LYS HB2 H 1.919 0 2
401 103 42 LYS HB3 H 1.69 0 2
402 103 42 LYS HG2 H 1.598 0 2
403 103 42 LYS HG3 H 1.444 0 2
404 103 42 LYS H H 7.24 0 1
405 103 42 LYS N N 118.28 0 1
406 103 42 LYS HD2 H 1.699 0 2
407 103 42 LYS HE2 H 3.087 0 2
408 104 43 ALA CA C 53.615 0 1
409 104 43 ALA CB C 18.578 0 1
410 104 43 ALA HA H 4.632 0 1
411 104 43 ALA H H 7.702 0 1
412 104 43 ALA N N 122.122 0 1
413 104 43 ALA HB H 1.432 0 1
414 105 44 VAL CA C 62.53 0 1
415 105 44 VAL CB C 31.68 0 1
416 105 44 VAL CG1 C 20.103 0 2
417 105 44 VAL CG2 C 20.967 0 2
418 105 44 VAL HA H 4.197 0 1
419 105 44 VAL HB H 2.23 0 1
420 105 44 VAL H H 7.682 0 1
421 105 44 VAL N N 115.037 0 1
422 105 44 VAL HG1 H 0.958 0 1
423 105 44 VAL HG2 H 0.87 0 1
424 106 45 TYR CA C 57.222 0 1
425 106 45 TYR CB C 38.651 0 1
426 106 45 TYR CD1 C 133.093 0 3
427 106 45 TYR CE1 C 118.058 0 3
428 106 45 TYR HA H 4.652 0 1
429 106 45 TYR HD1 H 7.06 0 3
430 106 45 TYR HE1 H 6.774 0 3
431 106 45 TYR H H 7.436 0 1
432 106 45 TYR N N 118.804 0 1
433 106 45 TYR HB2 H 3.062 0 2
434 106 45 TYR CD2 C 133.093 0 3
435 106 45 TYR CE2 C 118.058 0 3
436 107 46 ASN CB C 39.028 0.002 1
437 107 46 ASN HA H 4.959 0.001 1
438 107 46 ASN HB2 H 3.145 0 2
439 107 46 ASN HB3 H 3.034 0 2
440 107 46 ASN HD21 H 7.778 0 2
441 107 46 ASN HD22 H 7.126 0 2
442 107 46 ASN H H 8.614 0 1
443 107 46 ASN N N 118.495 0 1
444 107 46 ASN ND2 N 112.638 0.002 1
445 108 47 VAL CA C 65.178 0 1
446 108 47 VAL CB C 32.022 0 1
447 108 47 VAL CG1 C 21.838 0 2
448 108 47 VAL CG2 C 20.377 0 2
449 108 47 VAL HA H 3.952 0 1
450 108 47 VAL HB H 2.086 0 1
451 108 47 VAL H H 8.342 0 1
452 108 47 VAL N N 123.377 0 1
453 108 47 VAL HG1 H 1.025 0 1
454 108 47 VAL HG2 H 0.98 0 1
455 109 48 SER CA C 61.473 0 1
456 109 48 SER CB C 62.248 0 1
457 109 48 SER HA H 4.298 0 1
458 109 48 SER H H 8.353 0 1
459 109 48 SER N N 116.439 0 1
460 109 48 SER HB2 H 4.005 0 2
461 110 49 ASP CA C 56.211 0 1
462 110 49 ASP CB C 40.691 0 1
463 110 49 ASP HA H 4.534 0 1
464 110 49 ASP H H 7.832 0 1
465 110 49 ASP N N 121.141 0 1
466 110 49 ASP HB2 H 2.835 0 2
467 111 50 PHE CA C 60.009 0 1
468 111 50 PHE CB C 38.598 0.006 1
469 111 50 PHE CD1 C 131.549 0 3
470 111 50 PHE CE1 C 130.103 0 3
471 111 50 PHE CZ C 128.738 0 1
472 111 50 PHE HA H 3.486 0 1
473 111 50 PHE HB2 H 2.854 0 2
474 111 50 PHE HB3 H 2.65 0 2
475 111 50 PHE HD1 H 6.581 0 3
476 111 50 PHE HE1 H 6.595 0 3
477 111 50 PHE H H 8.044 0 1
478 111 50 PHE HZ H 6.486 0 1
479 111 50 PHE N N 122.621 0 1
480 111 50 PHE CD2 C 131.549 0 3
481 111 50 PHE CE2 C 130.103 0 3
482 112 51 LEU CA C 58.009 0 1
483 112 51 LEU CB C 41.213 0.001 1
484 112 51 LEU CD1 C 25.419 0 2
485 112 51 LEU CD2 C 23.056 0 2
486 112 51 LEU CG C 26.71 0 1
487 112 51 LEU HA H 3.546 0 1
488 112 51 LEU HB2 H 1.771 0 2
489 112 51 LEU HB3 H 1.473 0 2
490 112 51 LEU HG H 1.738 0 1
491 112 51 LEU H H 8.046 0 1
492 112 51 LEU N N 119.691 0 1
493 112 51 LEU HD1 H 0.97 0 1
494 112 51 LEU HD2 H 0.816 0 1
495 113 52 MET CA C 57.696 0 1
496 113 52 MET CB C 32.289 0.003 1
497 113 52 MET CE C 16.914 0 1
498 113 52 MET CG C 32.223 0.002 1
499 113 52 MET HA H 4.231 0 1
500 113 52 MET HB2 H 2.23 0 2
501 113 52 MET HB3 H 2.127 0 2
502 113 52 MET HG2 H 2.81 0 2
503 113 52 MET HG3 H 2.686 0 2
504 113 52 MET H H 7.563 0 1
505 113 52 MET N N 115.77 0 1
506 113 52 MET HE H 2.206 0 1
507 114 53 ALA CA C 54.815 0 1
508 114 53 ALA CB C 18.369 0 1
509 114 53 ALA HA H 4.199 0 1
510 114 53 ALA H H 7.878 0 1
511 114 53 ALA N N 121.804 0 1
512 114 53 ALA HB H 1.446 0 1
513 115 54 ILE CA C 63.259 0 1
514 115 54 ILE CB C 36.127 0 1
515 115 54 ILE CD1 C 12.137 0 1
516 115 54 ILE CG1 C 28.387 0.041 1
517 115 54 ILE CG2 C 17.865 0 1
518 115 54 ILE HA H 3.767 0 1
519 115 54 ILE HB H 1.677 0 1
520 115 54 ILE HG12 H 1.176 0 2
521 115 54 ILE HG13 H 0.927 0 2
522 115 54 ILE H H 8.202 0 1
523 115 54 ILE N N 118.054 0 1
524 115 54 ILE HD1 H 0.596 0 1
525 115 54 ILE HG2 H 0.67 0 1
526 116 55 VAL CA C 68.036 0 1
527 116 55 VAL CB C 31.463 0 1
528 116 55 VAL CG1 C 23.981 0 2
529 116 55 VAL CG2 C 21.732 0 2
530 116 55 VAL HA H 3.509 0 1
531 116 55 VAL HB H 2.238 0 1
532 116 55 VAL H H 7.961 0 1
533 116 55 VAL N N 121.095 0 1
534 116 55 VAL HG1 H 1.179 0 1
535 116 55 VAL HG2 H 1.043 0 1
536 117 56 LYS CA C 59.077 0 1
537 117 56 LYS CB C 31.997 0 1
538 117 56 LYS CD C 28.786 0 1
539 117 56 LYS CE C 41.857 0 1
540 117 56 LYS CG C 25.205 0.013 1
541 117 56 LYS HA H 4.297 0 1
542 117 56 LYS HG2 H 1.678 0 2
543 117 56 LYS HG3 H 1.591 0 2
544 117 56 LYS H H 8 0 1
545 117 56 LYS N N 118.806 0 1
546 117 56 LYS HB2 H 2.024 0 2
547 117 56 LYS HD2 H 1.819 0 2
548 117 56 LYS HE2 H 3.087 0 2
549 118 57 LEU CA C 57.515 0 1
550 118 57 LEU CB C 42.727 0 1
551 118 57 LEU CD1 C 24.487 0 2
552 118 57 LEU CD2 C 24.837 0 2
553 118 57 LEU CG C 27.095 0 1
554 118 57 LEU HA H 4.286 0 1
555 118 57 LEU HB2 H 1.994 0 2
556 118 57 LEU HB3 H 1.547 0 2
557 118 57 LEU HG H 1.842 0 1
558 118 57 LEU H H 8.39 0 1
559 118 57 LEU N N 120.738 0 1
560 118 57 LEU HD1 H 1.082 0 1
561 118 57 LEU HD2 H 1.099 0 1
562 119 58 ALA CA C 55.695 0 1
563 119 58 ALA CB C 17.984 0 1
564 119 58 ALA HA H 4.131 0 1
565 119 58 ALA H H 9.213 0 1
566 119 58 ALA N N 123.641 0 1
567 119 58 ALA HB H 1.552 0 1
568 120 59 GLN CA C 60.234 0 1
569 120 59 GLN CB C 28.353 0.023 1
570 120 59 GLN CG C 35.176 0.037 1
571 120 59 GLN HA H 3.972 0 1
572 120 59 GLN HB2 H 2.52 0 2
573 120 59 GLN HB3 H 2.09 0 2
574 120 59 GLN HE21 H 7.001 0 2
575 120 59 GLN HE22 H 7.041 0 2
576 120 59 GLN HG2 H 2.899 0 2
577 120 59 GLN HG3 H 2.167 0 2
578 120 59 GLN H H 8.649 0 1
579 120 59 GLN N N 116.453 0 1
580 120 59 GLN NE2 N 110.689 0.021 1
581 121 60 THR CA C 66.36 0 1
582 121 60 THR CB C 68.868 0 1
583 121 60 THR CG2 C 21.351 0 1
584 121 60 THR HA H 4.076 0 1
585 121 60 THR HB H 4.376 0 1
586 121 60 THR H H 8.566 0 1
587 121 60 THR N N 115.479 0 1
588 121 60 THR HG2 H 1.402 0 1
589 122 61 ASN CA C 57.397 0 1
590 122 61 ASN CB C 39.535 0.05 1
591 122 61 ASN HA H 4.626 0 1
592 122 61 ASN HB2 H 2.82 0 2
593 122 61 ASN HB3 H 2.416 0 2
594 122 61 ASN HD21 H 7.206 0 2
595 122 61 ASN HD22 H 7.436 0 2
596 122 61 ASN H H 8.433 0 1
597 122 61 ASN N N 120.652 0 1
598 122 61 ASN ND2 N 110.379 0.004 1
599 123 62 LEU CA C 58.804 0 1
600 123 62 LEU CB C 42.331 0.007 1
601 123 62 LEU CD1 C 24.764 0 2
602 123 62 LEU CD2 C 24.699 0 2
603 123 62 LEU CG C 27.203 0 1
604 123 62 LEU HA H 4.068 0 1
605 123 62 LEU HB2 H 2.047 0 2
606 123 62 LEU HB3 H 1.459 0 2
607 123 62 LEU HG H 1.8 0 1
608 123 62 LEU H H 8.837 0 1
609 123 62 LEU N N 121.425 0 1
610 123 62 LEU HD1 H 0.876 0 1
611 123 62 LEU HD2 H 0.835 0 1
612 124 63 ARG CA C 59.647 0 1
613 124 63 ARG CB C 30.112 0 1
614 124 63 ARG CD C 43.48 0.032 1
615 124 63 ARG CG C 28.208 0.03 1
616 124 63 ARG HA H 4.03 0 1
617 124 63 ARG HD2 H 3.456 0 2
618 124 63 ARG HD3 H 3.382 0 2
619 124 63 ARG HG2 H 1.99 0 2
620 124 63 ARG HG3 H 1.77 0 2
621 124 63 ARG H H 7.502 0 1
622 124 63 ARG N N 116.156 0 1
623 124 63 ARG HB2 H 2.073 0 2
624 125 64 ALA CA C 54.793 0 1
625 125 64 ALA CB C 18.471 0 1
626 125 64 ALA HA H 4.26 0 1
627 125 64 ALA H H 7.637 0 1
628 125 64 ALA N N 121.808 0 1
629 125 64 ALA HB H 1.655 0 1
630 126 65 ILE CA C 64.917 0 1
631 126 65 ILE CB C 39.599 0 1
632 126 65 ILE CD1 C 14.51 0 1
633 126 65 ILE CG1 C 29.151 0.026 1
634 126 65 ILE CG2 C 17.916 0 1
635 126 65 ILE HA H 3.745 0 1
636 126 65 ILE HB H 1.803 0 1
637 126 65 ILE HG12 H 2.073 0 2
638 126 65 ILE HG13 H 0.999 0 2
639 126 65 ILE H H 8.476 0 1
640 126 65 ILE N N 117.948 0 1
641 126 65 ILE HD1 H 0.856 0 1
642 126 65 ILE HG2 H 1.039 0 1
643 127 66 ILE CA C 64.704 0 1
644 127 66 ILE CB C 37.188 0 1
645 127 66 ILE CD1 C 14.124 0 1
646 127 66 ILE CG1 C 30.624 0.008 1
647 127 66 ILE CG2 C 18.761 0 1
648 127 66 ILE HA H 3.826 0 1
649 127 66 ILE HB H 1.928 0 1
650 127 66 ILE HG12 H 1.822 0 2
651 127 66 ILE HG13 H 1.286 0 2
652 127 66 ILE H H 8.13 0 1
653 127 66 ILE N N 118.919 0 1
654 127 66 ILE HD1 H 0.917 0 1
655 127 66 ILE HG2 H 0.976 0 1
656 128 67 GLY CA C 46.401 0.002 1
657 128 67 GLY HA2 H 4.437 0 1
658 128 67 GLY HA3 H 3.925 0 2
659 128 67 GLY H H 7.683 0 1
660 128 67 GLY N N 104.485 0 1
661 129 68 GLU CA C 55.446 0 1
662 129 68 GLU CB C 30.672 0.011 1
663 129 68 GLU CG C 35.944 0.007 1
664 129 68 GLU HA H 4.589 0 1
665 129 68 GLU HB2 H 2.477 0 2
666 129 68 GLU HB3 H 2.154 0 2
667 129 68 GLU HG2 H 2.651 0 2
668 129 68 GLU HG3 H 2.398 0 2
669 129 68 GLU H H 7.111 0 1
670 129 68 GLU N N 115.084 0 1
671 130 69 MET CA C 55.238 0 1
672 130 69 MET CB C 36.559 0.021 1
673 130 69 MET CE C 17.183 0 1
674 130 69 MET CG C 32.286 0.022 1
675 130 69 MET HA H 4.763 0 1
676 130 69 MET HB2 H 2.277 0 2
677 130 69 MET HB3 H 2.177 0 2
678 130 69 MET HG2 H 2.865 0 2
679 130 69 MET HG3 H 2.444 0 2
680 130 69 MET H H 8.414 0 1
681 130 69 MET N N 121.732 0 1
682 130 69 MET HE H 2.056 0 1
683 131 70 GLU CA C 56.474 0 1
684 131 70 GLU CB C 30.686 0.052 1
685 131 70 GLU CG C 38.352 0.002 1
686 131 70 GLU HA H 4.354 0 1
687 131 70 GLU HB2 H 2.468 0 2
688 131 70 GLU HB3 H 2.118 0 2
689 131 70 GLU HG2 H 2.597 0 2
690 131 70 GLU HG3 H 2.237 0 2
691 131 70 GLU H H 9.395 0 1
692 131 70 GLU N N 122.754 0 1
693 132 71 LEU CA C 59.955 0 1
694 132 71 LEU CB C 40.9 0.013 1
695 132 71 LEU CD1 C 25.727 0 2
696 132 71 LEU CD2 C 23.552 0 2
697 132 71 LEU CG C 27.136 0 1
698 132 71 LEU HA H 4.454 0 1
699 132 71 LEU HB2 H 2.085 0 2
700 132 71 LEU HB3 H 1.808 0 2
701 132 71 LEU HG H 1.682 0 1
702 132 71 LEU H H 10.32 0 1
703 132 71 LEU N N 127.791 0 1
704 132 71 LEU HD1 H 1.11 0 1
705 132 71 LEU HD2 H 0.948 0 1
706 133 72 ASP CA C 57.961 0 1
707 133 72 ASP CB C 40.031 0 1
708 133 72 ASP HA H 4.452 0 1
709 133 72 ASP H H 9.283 0 1
710 133 72 ASP N N 117.573 0 1
711 133 72 ASP HB2 H 2.753 0 2
712 134 73 GLU CA C 58.07 0 1
713 134 73 GLU CB C 30.329 0.044 1
714 134 73 GLU CG C 36.429 0 1
715 134 73 GLU HA H 4.166 0 1
716 134 73 GLU HB2 H 2.466 0 2
717 134 73 GLU HB3 H 2.209 0 2
718 134 73 GLU HG2 H 2.526 0 2
719 134 73 GLU HG3 H 2.418 0 2
720 134 73 GLU H H 7.307 0 1
721 134 73 GLU N N 118.947 0 1
722 135 74 THR CA C 67.017 0 1
723 135 74 THR CB C 68.224 0.152 1
724 135 74 THR CG2 C 22.236 0 1
725 135 74 THR HA H 3.966 0 1
726 135 74 THR HB H 4.49 0 1
727 135 74 THR H H 8.334 0 1
728 135 74 THR N N 116.702 0 1
729 135 74 THR HG2 H 1.24 0 1
730 136 75 LEU CA C 57.604 0 1
731 136 75 LEU CB C 41.375 0 1
732 136 75 LEU CD1 C 25.552 0 2
733 136 75 LEU CD2 C 23.47 0 2
734 136 75 LEU CG C 26.714 0 1
735 136 75 LEU HA H 4.164 0 1
736 136 75 LEU HB2 H 2.038 0 2
737 136 75 LEU HB3 H 1.691 0 2
738 136 75 LEU HG H 1.984 0 1
739 136 75 LEU H H 8.159 0 1
740 136 75 LEU N N 118.009 0 1
741 136 75 LEU HD1 H 1.063 0 1
742 136 75 LEU HD2 H 0.947 0 1
743 137 76 SER CA C 58.446 0 1
744 137 76 SER CB C 63.709 0.001 1
745 137 76 SER HA H 4.808 0 1
746 137 76 SER HB2 H 4.164 0 2
747 137 76 SER HB3 H 4.102 0 2
748 137 76 SER H H 7.713 0 1
749 137 76 SER N N 111.428 0 1
750 138 77 GLY CA C 46.311 0.001 1
751 138 77 GLY HA2 H 4.815 0 1
752 138 77 GLY HA3 H 3.86 0.001 2
753 138 77 GLY H H 7.779 0 1
754 138 77 GLY N N 112.185 0 1
755 139 78 ARG CA C 61.186 0 1
756 139 78 ARG CB C 29.871 0.001 1
757 139 78 ARG CD C 43.28 0 1
758 139 78 ARG CG C 28.763 0.07 1
759 139 78 ARG HA H 3.853 0 1
760 139 78 ARG HB2 H 2.052 0 2
761 139 78 ARG HB3 H 1.982 0 2
762 139 78 ARG HG2 H 1.921 0 2
763 139 78 ARG HG3 H 1.669 0 2
764 139 78 ARG H H 8.311 0 1
765 139 78 ARG N N 121.172 0 1
766 139 78 ARG HD2 H 3.415 0 2
767 140 79 ASP CA C 57.533 0 1
768 140 79 ASP CB C 39.905 0.008 1
769 140 79 ASP HA H 4.63 0 1
770 140 79 ASP HB2 H 2.853 0 2
771 140 79 ASP HB3 H 2.771 0 2
772 140 79 ASP H H 8.749 0 1
773 140 79 ASP N N 114.843 0 1
774 141 80 ILE CA C 63.732 0 1
775 141 80 ILE CB C 38.239 0 1
776 141 80 ILE CD1 C 13 0 1
777 141 80 ILE CG1 C 28.52 0.077 1
778 141 80 ILE CG2 C 17.24 0 1
779 141 80 ILE HA H 4.07 0 1
780 141 80 ILE HB H 2.146 0 1
781 141 80 ILE HG12 H 1.756 0 2
782 141 80 ILE HG13 H 1.369 0 2
783 141 80 ILE H H 7.565 0 1
784 141 80 ILE N N 121.986 0 1
785 141 80 ILE HD1 H 1.057 0 1
786 141 80 ILE HG2 H 1.05 0 1
787 142 81 ILE CA C 66.387 0 1
788 142 81 ILE CB C 38.194 0 1
789 142 81 ILE CD1 C 14.169 0 1
790 142 81 ILE CG1 C 29.062 0.009 1
791 142 81 ILE CG2 C 18.485 0 1
792 142 81 ILE HA H 3.531 0 1
793 142 81 ILE HB H 1.854 0 1
794 142 81 ILE HG12 H 1.921 0 2
795 142 81 ILE HG13 H 0.89 0 2
796 142 81 ILE H H 8.309 0 1
797 142 81 ILE N N 121.735 0 1
798 142 81 ILE HD1 H 0.955 0 1
799 142 81 ILE HG2 H 0.965 0 1
800 143 82 ASN CA C 56.121 0 1
801 143 82 ASN CB C 38.023 0 1
802 143 82 ASN HA H 4.369 0 1
803 143 82 ASN HB2 H 3.141 0 2
804 143 82 ASN HB3 H 3.04 0 2
805 143 82 ASN H H 8.919 0 1
806 143 82 ASN N N 118.128 0 1
807 143 82 ASN ND2 N 108.582 0 1
808 143 82 ASN HD21 H 7.515 0 4
809 143 82 ASN HD22 H 7.515 0 4
810 144 83 ALA CA C 55.23 0 1
811 144 83 ALA CB C 18.378 0 1
812 144 83 ALA HA H 4.31 0 1
813 144 83 ALA H H 7.687 0 1
814 144 83 ALA N N 122.048 0 1
815 144 83 ALA HB H 1.715 0 1
816 145 84 ARG CA C 58.842 0 1
817 145 84 ARG CB C 30.415 0 1
818 145 84 ARG CD C 43.058 0.003 1
819 145 84 ARG CG C 27.316 0 1
820 145 84 ARG HA H 4.297 0 1
821 145 84 ARG HD2 H 3.362 0 2
822 145 84 ARG HD3 H 3.161 0 2
823 145 84 ARG HG2 H 2.063 0 2
824 145 84 ARG HG3 H 1.842 0 2
825 145 84 ARG H H 8.579 0 1
826 145 84 ARG N N 119.43 0 1
827 145 84 ARG HB2 H 2.022 0 2
828 146 85 LEU CA C 57.861 0 1
829 146 85 LEU CB C 41.584 0.005 1
830 146 85 LEU CD1 C 25.674 0 2
831 146 85 LEU CD2 C 25.106 0 2
832 146 85 LEU CG C 27.168 0 1
833 146 85 LEU HA H 4.054 0 1
834 146 85 LEU HB2 H 1.896 0 2
835 146 85 LEU HB3 H 1.678 0 2
836 146 85 LEU HG H 1.782 0 1
837 146 85 LEU H H 9.083 0 1
838 146 85 LEU N N 119.149 0 1
839 146 85 LEU HD1 H 1.055 0 1
840 146 85 LEU HD2 H 0.914 0 1
841 147 86 ARG CA C 60.723 0 1
842 147 86 ARG CB C 29.549 0 1
843 147 86 ARG CD C 43.112 0.031 1
844 147 86 ARG CG C 26.821 0.005 1
845 147 86 ARG HA H 3.774 0 1
846 147 86 ARG HD2 H 3.356 0 2
847 147 86 ARG HD3 H 3.174 0 2
848 147 86 ARG HG2 H 1.732 0 2
849 147 86 ARG HG3 H 1.583 0 2
850 147 86 ARG H H 7.971 0 1
851 147 86 ARG N N 118.395 0 1
852 147 86 ARG HB2 H 2.137 0 2
853 148 87 GLU CA C 59.392 0 1
854 148 87 GLU CB C 29.74 0.001 1
855 148 87 GLU CG C 36.335 0.012 1
856 148 87 GLU HA H 4.12 0 1
857 148 87 GLU HB2 H 2.363 0 2
858 148 87 GLU HB3 H 2.28 0 2
859 148 87 GLU HG2 H 2.532 0 2
860 148 87 GLU HG3 H 2.426 0 2
861 148 87 GLU H H 7.895 0 1
862 148 87 GLU N N 116.934 0 1
863 149 88 GLU CA C 58.455 0 1
864 149 88 GLU CB C 29.306 0.001 1
865 149 88 GLU CG C 35.343 0.008 1
866 149 88 GLU HA H 4.279 0 1
867 149 88 GLU HB2 H 2.166 0 2
868 149 88 GLU HB3 H 1.957 0 2
869 149 88 GLU HG2 H 2.705 0 2
870 149 88 GLU HG3 H 2.45 0 2
871 149 88 GLU H H 8.228 0 1
872 149 88 GLU N N 116.458 0 1
873 150 89 LEU CA C 57.767 0 1
874 150 89 LEU CB C 42.45 0.002 1
875 150 89 LEU CD1 C 26.163 0 2
876 150 89 LEU CD2 C 23.196 0 2
877 150 89 LEU CG C 27.104 0 1
878 150 89 LEU HA H 4.239 0 1
879 150 89 LEU HB2 H 2.06 0 2
880 150 89 LEU HB3 H 1.473 0 2
881 150 89 LEU HG H 2.111 0 1
882 150 89 LEU H H 8.401 0 1
883 150 89 LEU N N 117.854 0 1
884 150 89 LEU HD1 H 0.906 0 1
885 150 89 LEU HD2 H 0.871 0 1
886 151 90 ASP CA C 56.503 0 1
887 151 90 ASP CB C 42.435 0.006 1
888 151 90 ASP HA H 5.034 0 1
889 151 90 ASP HB2 H 3.008 0 2
890 151 90 ASP HB3 H 2.727 0 2
891 151 90 ASP H H 8.524 0 1
892 151 90 ASP N N 118.978 0 1
893 152 91 LYS CA C 58.455 0 1
894 152 91 LYS CB C 33.021 0 1
895 152 91 LYS CD C 29.604 0 1
896 152 91 LYS CE C 41.93 0.045 1
897 152 91 LYS CG C 25.57 0.009 1
898 152 91 LYS HA H 4.279 0 1
899 152 91 LYS HE2 H 3.085 0 2
900 152 91 LYS HE3 H 3.022 0 2
901 152 91 LYS HG2 H 1.9 0 2
902 152 91 LYS HG3 H 1.645 0 2
903 152 91 LYS H H 7.348 0 1
904 152 91 LYS N N 114.172 0 1
905 152 91 LYS HB2 H 2.065 0 2
906 152 91 LYS HD2 H 1.874 0 2
907 153 92 ILE CA C 61.448 0 1
908 153 92 ILE CB C 39.068 0 1
909 153 92 ILE CD1 C 13.291 0 1
910 153 92 ILE CG1 C 27.393 0.015 1
911 153 92 ILE CG2 C 18.141 0 1
912 153 92 ILE HA H 4.427 0 1
913 153 92 ILE HB H 2.243 0 1
914 153 92 ILE HG12 H 1.675 0 2
915 153 92 ILE HG13 H 1.543 0 2
916 153 92 ILE H H 7.597 0 1
917 153 92 ILE N N 114.441 0 1
918 153 92 ILE HD1 H 1.002 0 1
919 153 92 ILE HG2 H 0.908 0 1
920 154 93 THR CA C 65.433 0 1
921 154 93 THR CB C 67.799 0 1
922 154 93 THR CG2 C 21.785 0 1
923 154 93 THR HA H 3.879 0 1
924 154 93 THR HB H 4.567 0 1
925 154 93 THR H H 8.195 0 1
926 154 93 THR N N 110.253 0.006 1
927 154 93 THR HG2 H 1.34 0 1
928 155 94 ASP CA C 57.822 0 1
929 155 94 ASP CB C 41.397 0.008 1
930 155 94 ASP HA H 4.514 0 1
931 155 94 ASP HB2 H 2.976 0 2
932 155 94 ASP HB3 H 2.672 0 2
933 155 94 ASP H H 8.474 0 1
934 155 94 ASP N N 124.348 0 1
935 156 95 ARG CA C 57.783 0 1
936 156 95 ARG CB C 29.386 0.004 1
937 156 95 ARG CD C 43.112 0 1
938 156 95 ARG CG C 26.031 0.003 1
939 156 95 ARG HA H 4.173 0 1
940 156 95 ARG HB2 H 1.765 0 2
941 156 95 ARG HB3 H 1.638 0 2
942 156 95 ARG HG2 H 1.343 0 2
943 156 95 ARG HG3 H 1.149 0 2
944 156 95 ARG H H 7.68 0 1
945 156 95 ARG N N 117.839 0 1
946 156 95 ARG HD2 H 2.926 0 2
947 157 96 TRP CB C 29.856 0.001 1
948 157 96 TRP CD1 C 125.727 0 1
949 157 96 TRP CE3 C 119.855 0 1
950 157 96 TRP CH2 C 124.415 0 1
951 157 96 TRP CZ2 C 114.569 0 1
952 157 96 TRP CZ3 C 121.306 0 1
953 157 96 TRP HA H 4.943 0.001 1
954 157 96 TRP HB2 H 3.532 0 2
955 157 96 TRP HB3 H 3.161 0 2
956 157 96 TRP HD1 H 7.288 0 1
957 157 96 TRP HE1 H 10.326 0 1
958 157 96 TRP HE3 H 7.5 0 1
959 157 96 TRP HH2 H 7.176 0 1
960 157 96 TRP H H 7.88 0 1
961 157 96 TRP HZ2 H 7.533 0 1
962 157 96 TRP HZ3 H 7.001 0 1
963 157 96 TRP N N 117.944 0 1
964 157 96 TRP NE1 N 128.873 0 1
965 158 97 GLY CA C 46.688 0 1
966 158 97 GLY HA2 H 4.411 0 1
967 158 97 GLY HA3 H 4.249 0 2
968 158 97 GLY H H 7.972 0 1
969 158 97 GLY N N 104.253 0 1
970 159 98 VAL CA C 60.417 0 1
971 159 98 VAL CB C 36.365 0 1
972 159 98 VAL CG1 C 21.619 0 2
973 159 98 VAL CG2 C 20.665 0 2
974 159 98 VAL HA H 5.012 0 1
975 159 98 VAL HB H 2.02 0 1
976 159 98 VAL H H 7.468 0 1
977 159 98 VAL N N 115.979 0 1
978 159 98 VAL HG1 H 0.907 0 1
979 159 98 VAL HG2 H 0.784 0 1
980 160 99 LYS CA C 53.521 0 1
981 160 99 LYS CB C 36.083 0.005 1
982 160 99 LYS CD C 28.536 0.025 1
983 160 99 LYS CE C 41.695 0 1
984 160 99 LYS CG C 24.294 0.016 1
985 160 99 LYS HA H 5.053 0 1
986 160 99 LYS HB2 H 1.927 0 2
987 160 99 LYS HB3 H 1.838 0 2
988 160 99 LYS HD2 H 1.917 0 2
989 160 99 LYS HD3 H 1.847 0 2
990 160 99 LYS HG2 H 1.556 0 2
991 160 99 LYS HG3 H 1.339 0 2
992 160 99 LYS H H 9.259 0 1
993 160 99 LYS N N 126.977 0 1
994 160 99 LYS HE2 H 3.047 0 2
995 161 100 ILE CB C 35.185 0 1
996 161 100 ILE CD1 C 9.636 0 1
997 161 100 ILE CG1 C 26.155 0.003 1
998 161 100 ILE CG2 C 18.717 0.002 1
999 161 100 ILE HA H 4.896 0 1
1000 161 100 ILE HB H 2.33 0 1
1001 161 100 ILE HG12 H 2.109 0 2
1002 161 100 ILE HG13 H 1.405 0 2
1003 161 100 ILE H H 9.31 0 1
1004 161 100 ILE N N 127.468 0 1
1005 161 100 ILE HD1 H 0.825 0 1
1006 161 100 ILE HG2 H 1.121 0 1
1007 162 101 THR CA C 63.075 0 1
1008 162 101 THR CB C 67.345 0 1
1009 162 101 THR CG2 C 24.316 0 1
1010 162 101 THR HA H 4.254 0 1
1011 162 101 THR HB H 4.192 0 1
1012 162 101 THR H H 8.783 0 1
1013 162 101 THR N N 120.609 0 1
1014 162 101 THR HG2 H 1.213 0 1
1015 163 102 ARG CA C 55.929 0 1
1016 163 102 ARG CB C 32.468 0.008 1
1017 163 102 ARG CD C 43.405 0.003 1
1018 163 102 ARG CG C 26.349 0.003 1
1019 163 102 ARG HA H 4.606 0 1
1020 163 102 ARG HB2 H 2.005 0 2
1021 163 102 ARG HB3 H 1.84 0 2
1022 163 102 ARG HD2 H 2.87 0 2
1023 163 102 ARG HD3 H 2.788 0 2
1024 163 102 ARG HG2 H 1.501 0 2
1025 163 102 ARG HG3 H 1.433 0 2
1026 163 102 ARG H H 7.669 0 1
1027 163 102 ARG N N 118.258 0 1
1028 164 103 VAL CB C 35.09 0 1
1029 164 103 VAL CG1 C 21.797 0 2
1030 164 103 VAL CG2 C 22.591 0 2
1031 164 103 VAL HA H 4.886 0 1
1032 164 103 VAL HB H 2.307 0 1
1033 164 103 VAL H H 8.7 0 1
1034 164 103 VAL N N 122.135 0 1
1035 164 103 VAL HG1 H 1.115 0 1
1036 164 103 VAL HG2 H 1.056 0 1
1037 165 104 GLU CA C 54.469 0 1
1038 165 104 GLU CB C 33.028 0.005 1
1039 165 104 GLU CG C 36.357 0 1
1040 165 104 GLU HA H 4.835 0 1
1041 165 104 GLU HB2 H 2.08 0 2
1042 165 104 GLU HB3 H 2.019 0 2
1043 165 104 GLU H H 9.011 0 1
1044 165 104 GLU N N 123.789 0 1
1045 165 104 GLU HG2 H 2.293 0 2
1046 166 105 ILE CA C 61.576 0 1
1047 166 105 ILE CB C 37.908 0 1
1048 166 105 ILE CD1 C 13.471 0 1
1049 166 105 ILE CG1 C 28.541 0 1
1050 166 105 ILE CG2 C 18.621 0 1
1051 166 105 ILE HA H 4.525 0 1
1052 166 105 ILE HB H 2.016 0 1
1053 166 105 ILE H H 9.869 0 1
1054 166 105 ILE N N 130.058 0 1
1055 166 105 ILE HD1 H 0.951 0 1
1056 166 105 ILE HG12 H 1.676 0 4
1057 166 105 ILE HG13 H 1.676 0 4
1058 166 105 ILE HG2 H 1.094 0 1
1059 167 106 GLN CA C 55.964 0 1
1060 167 106 GLN CB C 28.789 0.005 1
1061 167 106 GLN CG C 34.052 0.035 1
1062 167 106 GLN HA H 4.661 0 1
1063 167 106 GLN HB2 H 2.508 0 2
1064 167 106 GLN HB3 H 2.211 0 2
1065 167 106 GLN HE21 H 7.246 0 2
1066 167 106 GLN HE22 H 7.213 0 2
1067 167 106 GLN HG2 H 2.496 0 2
1068 167 106 GLN HG3 H 2.322 0 2
1069 167 106 GLN H H 8.573 0 1
1070 167 106 GLN N N 127.576 0 1
1071 167 106 GLN NE2 N 114.248 0.026 1
1072 168 107 ARG CA C 56.113 0 1
1073 168 107 ARG CB C 32.098 0 1
1074 168 107 ARG CD C 43.769 0.004 1
1075 168 107 ARG CG C 27.048 0.009 1
1076 168 107 ARG HA H 4.468 0 1
1077 168 107 ARG HD2 H 3.288 0 2
1078 168 107 ARG HD3 H 3.179 0 2
1079 168 107 ARG HG2 H 1.766 0 2
1080 168 107 ARG HG3 H 1.679 0 2
1081 168 107 ARG H H 8.762 0 1
1082 168 107 ARG N N 122.725 0 1
1083 168 107 ARG HB3 H 1.863 0 2
1084 169 108 ILE CA C 61.618 0 1
1085 169 108 ILE CB C 39.583 0 1
1086 169 108 ILE CD1 C 14.333 0 1
1087 169 108 ILE CG1 C 27.718 0.015 1
1088 169 108 ILE CG2 C 17.936 0 1
1089 169 108 ILE HA H 4.451 0 1
1090 169 108 ILE HB H 1.874 0 1
1091 169 108 ILE HG12 H 1.58 0 2
1092 169 108 ILE HG13 H 1.012 0 2
1093 169 108 ILE H H 7.996 0 1
1094 169 108 ILE N N 120.383 0 1
1095 169 108 ILE HD1 H 0.896 0 1
1096 169 108 ILE HG2 H 0.757 0 1
1097 170 109 ASP CA C 51.571 0 1
1098 170 109 ASP CB C 42.763 0.002 1
1099 170 109 ASP HA H 5.579 0 1
1100 170 109 ASP HB2 H 2.839 0 2
1101 170 109 ASP HB3 H 2.61 0 2
1102 170 109 ASP H H 9.067 0 1
1103 170 109 ASP N N 126.604 0 1
1104 171 110 PRO CA C 61.302 0 1
1105 171 110 PRO CB C 30.857 0.005 1
1106 171 110 PRO CD C 50.941 0.002 1
1107 171 110 PRO CG C 26.832 0 1
1108 171 110 PRO HA H 5.081 0 1
1109 171 110 PRO HB2 H 2.371 0 2
1110 171 110 PRO HB3 H 2.321 0 2
1111 171 110 PRO HD2 H 4.197 0 2
1112 171 110 PRO HD3 H 3.991 0 2
1113 171 110 PRO HG2 H 2.164 0 2
1114 172 111 PRO CA C 63.367 0 1
1115 172 111 PRO CB C 32.05 0.045 1
1116 172 111 PRO CD C 50.441 0.05 1
1117 172 111 PRO CG C 27.968 0 1
1118 172 111 PRO HA H 4.568 0 1
1119 172 111 PRO HB2 H 2.493 0 2
1120 172 111 PRO HB3 H 2.021 0 2
1121 172 111 PRO HD2 H 4.125 0 2
1122 172 111 PRO HD3 H 3.66 0 2
1123 172 111 PRO HG2 H 2.217 0 2
1124 173 112 LYS CA C 55.951 0 1
1125 173 112 LYS CB C 33.412 0.015 1
1126 173 112 LYS CD C 28.844 0 1
1127 173 112 LYS CE C 41.932 0 1
1128 173 112 LYS CG C 24.434 0 1
1129 173 112 LYS HA H 4.465 0 1
1130 173 112 LYS HB2 H 1.987 0 2
1131 173 112 LYS HB3 H 1.862 0 2
1132 173 112 LYS H H 8.533 0 1
1133 173 112 LYS N N 122.499 0 1
1134 173 112 LYS HD2 H 1.805 0 2
1135 173 112 LYS HE2 H 3.115 0 2
1136 173 112 LYS HG2 H 1.6 0 2
1137 174 113 ASP CA C 55.733 0 1
1138 174 113 ASP CB C 42.273 0 1
1139 174 113 ASP HA H 4.479 0 1
1140 174 113 ASP HB2 H 2.777 0 2
1141 174 113 ASP HB3 H 2.665 0 2
1142 174 113 ASP H H 8.017 0 1
1143 174 113 ASP N N 126.916 0 1
stop_
loop_
_Atom_shift_assign_ID_ambiguity
153
154
'808,809'
'1056,1057'
stop_
save_