data_6821
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Human SOD before harboring the catalytic metal: Solution structure of copper
depleted, disulfide reduced form
;
_BMRB_accession_number 6821
_BMRB_flat_file_name bmr6821.str
_Entry_type original
_Submission_date 2005-09-09
_Accession_date 2005-09-29
_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 Banci L. . .
2 Bertini I. . .
3 Cantini F. . .
4 D'Amelio N. . .
5 Gaggelli E. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 821
"13C chemical shifts" 497
"15N chemical shifts" 158
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-01-29 original author .
stop_
_Original_release_date 2007-01-29
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Human SOD1 before harboring the catalytic metal: Solution structure of copper
depleted, disulfide reduced form
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16291742
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Banci L. . .
2 Bertini I. . .
3 Cantini F. . .
4 D'Amelio N. . .
5 Gaggelli E. . .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_volume 281
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 2333
_Page_last 2337
_Year 2006
_Details .
loop_
_Keyword
'copper depleted protein'
'disulfide bond reduced'
'homodimeric protein'
'Human superoxide dismutase'
NMR
'Protein Structure Initiative'
PSI
'solution structure'
SPINE
'Structural Genomics'
'Structural Proteomics in Europe'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_dismutase
_Saveframe_category molecular_system
_Mol_system_name 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)'
_Abbreviation_common 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Superoxide dismutase [Cu-Zn], chain A' $dismutase
'Superoxide dismutase [Cu-Zn], chain B' $dismutase
'ZINC ION, 1' $ZN
'ZINC ION, 2' $ZN
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_dismutase
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)'
_Abbreviation_common 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 153
_Mol_residue_sequence
;
ATKAVAVLKGDGPVQGIINF
EQKESNGPVKVWGSIKGLTE
GLHGFHVHEFGDNTAGCTSA
GPHFNPLSRKHGGPKDEERH
VGDLGNVTADKDGVADVSIE
DSVISLSGDHSIIGRTLVVH
EKADDLGKGGNEESTKTGNA
GSRLACGVIGIAQ
;
loop_
_Residue_seq_code
_Residue_label
1 ALA 2 THR 3 LYS 4 ALA 5 VAL
6 ALA 7 VAL 8 LEU 9 LYS 10 GLY
11 ASP 12 GLY 13 PRO 14 VAL 15 GLN
16 GLY 17 ILE 18 ILE 19 ASN 20 PHE
21 GLU 22 GLN 23 LYS 24 GLU 25 SER
26 ASN 27 GLY 28 PRO 29 VAL 30 LYS
31 VAL 32 TRP 33 GLY 34 SER 35 ILE
36 LYS 37 GLY 38 LEU 39 THR 40 GLU
41 GLY 42 LEU 43 HIS 44 GLY 45 PHE
46 HIS 47 VAL 48 HIS 49 GLU 50 PHE
51 GLY 52 ASP 53 ASN 54 THR 55 ALA
56 GLY 57 CYS 58 THR 59 SER 60 ALA
61 GLY 62 PRO 63 HIS 64 PHE 65 ASN
66 PRO 67 LEU 68 SER 69 ARG 70 LYS
71 HIS 72 GLY 73 GLY 74 PRO 75 LYS
76 ASP 77 GLU 78 GLU 79 ARG 80 HIS
81 VAL 82 GLY 83 ASP 84 LEU 85 GLY
86 ASN 87 VAL 88 THR 89 ALA 90 ASP
91 LYS 92 ASP 93 GLY 94 VAL 95 ALA
96 ASP 97 VAL 98 SER 99 ILE 100 GLU
101 ASP 102 SER 103 VAL 104 ILE 105 SER
106 LEU 107 SER 108 GLY 109 ASP 110 HIS
111 SER 112 ILE 113 ILE 114 GLY 115 ARG
116 THR 117 LEU 118 VAL 119 VAL 120 HIS
121 GLU 122 LYS 123 ALA 124 ASP 125 ASP
126 LEU 127 GLY 128 LYS 129 GLY 130 GLY
131 ASN 132 GLU 133 GLU 134 SER 135 THR
136 LYS 137 THR 138 GLY 139 ASN 140 ALA
141 GLY 142 SER 143 ARG 144 LEU 145 ALA
146 CYS 147 GLY 148 VAL 149 ILE 150 GLY
151 ILE 152 ALA 153 GLN
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "ZN (ZINC ION)"
_BMRB_code .
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Jun 10 14:23:33 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN . 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$dismutase Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$dismutase 'recombinant technology' 'Escherichia coli' Escherichia coli TOPP1 PBR322
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
$dismutase 1.5 mM [U-15N]
$ZN 1.5 mM .
'sodium phosphate' 20 mM .
'DTT buffer' 20 mM .
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
$dismutase 1 mM '[U-13C; U-15N]'
$ZN 1 mM .
'sodium phosphate' 20 mM .
'DTT buffer' 20 mM .
H2O 90 % .
D2O 10 % .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$dismutase 1 mM '[U-70% 2H; U-13C; U-15N]'
$ZN 1 mM .
'sodium phosphate' 20 mM .
'DTT buffer' 20 mM .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version .
loop_
_Task
collection
stop_
_Details Bruker
save_
save_NEASY
_Saveframe_category software
_Name NEASY
_Version .
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 1.03
loop_
_Task
'structure solution'
stop_
_Details 'Herrmann, T., Guntert, P., and Wuthrich, K'
save_
save_AMBER
_Saveframe_category software
_Name AMBER
_Version 8
loop_
_Task
refinement
stop_
_Details
;
Pearlman, D. A., Case, D. A., Caldwell, J. W., Ross, W. S., Cheatham, T. E.,
Ferguson, D. M., Seibel, G. L., Singh, U. C., Weiner, P. K., and Kollman, P. A.
;
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 900
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY'
_Sample_label .
save_
save_HNHA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_Sample_label .
save_
save_3D_15N-separated_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label .
save_
save_3D_13C-separated_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label .
save_
save_H(C)CH_TOCSY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name 'H(C)CH TOCSY'
_Sample_label .
save_
save_(H)CCH_TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '(H)CCH TOCSY'
_Sample_label .
save_
save_TROSY-HNCACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name TROSY-HNCACB
_Sample_label .
save_
save_TROSY-HNCA_8
_Saveframe_category NMR_applied_experiment
_Experiment_name TROSY-HNCA
_Sample_label .
save_
save_TROSY_HN(CO)CA_9
_Saveframe_category NMR_applied_experiment
_Experiment_name 'TROSY HN(CO)CA'
_Sample_label .
save_
save_TROSY_HNCO_10
_Saveframe_category NMR_applied_experiment
_Experiment_name 'TROSY HNCO'
_Sample_label .
save_
save_TROSY_HN(CA)CO_11
_Saveframe_category NMR_applied_experiment
_Experiment_name 'TROSY HN(CA)CO'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name 'H(C)CH TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '(H)CCH TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name TROSY-HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name TROSY-HNCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name 'TROSY HN(CO)CA'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name 'TROSY HNCO'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_11
_Saveframe_category NMR_applied_experiment
_Experiment_name 'TROSY HN(CA)CO'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 20 . mM
pH 5 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
dioxane C 13 carbons ppm . . direct . . . 1.0 $entry_citation $entry_citation
water H 1 protons ppm . . direct . . . 1.0 $entry_citation $entry_citation
urea N 15 nitrogens ppm . . direct . . . 1.0 $entry_citation $entry_citation
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'Superoxide dismutase [Cu-Zn], chain A'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 . 1 ALA HA H 4.393 0.020 .
2 . 1 ALA HB H 1.636 0.020 .
3 . 1 ALA C C 171.103 0.200 .
4 . 1 ALA CA C 49.842 0.200 .
5 . 1 ALA CB C 18.059 0.200 .
6 . 2 THR H H 8.548 0.020 .
7 . 2 THR HA H 4.628 0.020 .
8 . 2 THR HB H 4.131 0.020 .
9 . 2 THR HG2 H 1.344 0.020 .
10 . 2 THR C C 170.383 0.200 .
11 . 2 THR CA C 60.340 0.200 .
12 . 2 THR CB C 67.760 0.200 .
13 . 2 THR CG2 C 19.440 0.200 .
14 . 2 THR N N 114.366 0.200 .
15 . 3 LYS H H 8.683 0.020 .
16 . 3 LYS HA H 5.311 0.020 .
17 . 3 LYS HB2 H 1.635 0.020 .
18 . 3 LYS HB3 H 1.937 0.020 .
19 . 3 LYS HG2 H 1.473 0.020 .
20 . 3 LYS HG3 H 1.473 0.020 .
21 . 3 LYS HD2 H 1.338 0.012 .
22 . 3 LYS HD3 H 1.338 0.012 .
23 . 3 LYS HE2 H 3.000 0.003 .
24 . 3 LYS HE3 H 3.000 0.003 .
25 . 3 LYS C C 172.281 0.200 .
26 . 3 LYS CA C 52.905 0.200 .
27 . 3 LYS CB C 34.571 0.200 .
28 . 3 LYS CG C 23.168 0.200 .
29 . 3 LYS CE C 40.149 0.200 .
30 . 3 LYS N N 125.049 0.200 .
31 . 4 ALA H H 9.152 0.020 .
32 . 4 ALA HA H 5.514 0.020 .
33 . 4 ALA HB H 1.122 0.020 .
34 . 4 ALA C C 173.051 0.200 .
35 . 4 ALA CA C 48.555 0.200 .
36 . 4 ALA N N 123.595 0.200 .
37 . 5 VAL H H 9.569 0.020 .
38 . 5 VAL HA H 5.363 0.020 .
39 . 5 VAL HB H 1.984 0.020 .
40 . 5 VAL HG1 H 0.823 0.020 .
41 . 5 VAL HG2 H 0.778 0.020 .
42 . 5 VAL C C 168.663 0.200 .
43 . 5 VAL CA C 58.100 0.200 .
44 . 5 VAL CB C 33.455 0.200 .
45 . 5 VAL CG1 C 16.516 0.200 .
46 . 5 VAL CG2 C 19.968 0.200 .
47 . 5 VAL N N 121.951 0.200 .
48 . 6 ALA H H 9.182 0.020 .
49 . 6 ALA HA H 4.697 0.020 .
50 . 6 ALA HB H 1.127 0.020 .
51 . 6 ALA C C 172.441 0.200 .
52 . 6 ALA N N 126.410 0.200 .
53 . 7 VAL H H 9.093 0.020 .
54 . 7 VAL HA H 4.348 0.020 .
55 . 7 VAL HB H 2.015 0.020 .
56 . 7 VAL HG1 H 0.856 0.020 .
57 . 7 VAL HG2 H 0.911 0.020 .
58 . 7 VAL C C 173.040 0.200 .
59 . 7 VAL CA C 59.438 0.200 .
60 . 7 VAL CB C 29.632 0.200 .
61 . 7 VAL CG1 C 19.440 0.200 .
62 . 7 VAL CG2 C 19.331 0.200 .
63 . 7 VAL N N 123.978 0.200 .
64 . 8 LEU H H 8.906 0.020 .
65 . 8 LEU HA H 4.306 0.020 .
66 . 8 LEU HB2 H 0.882 0.020 .
67 . 8 LEU HB3 H 1.453 0.020 .
68 . 8 LEU HG H 0.835 0.020 .
69 . 8 LEU HD1 H 0.552 0.020 .
70 . 8 LEU HD2 H 0.653 0.020 .
71 . 8 LEU C C 173.469 0.200 .
72 . 8 LEU CA C 52.114 0.200 .
73 . 8 LEU CB C 40.113 0.200 .
74 . 8 LEU CG C 25.653 0.200 .
75 . 8 LEU CD1 C 21.511 0.200 .
76 . 8 LEU CD2 C 23.954 0.200 .
77 . 8 LEU N N 126.747 0.200 .
78 . 9 LYS H H 8.412 0.020 .
79 . 9 LYS HA H 4.806 0.020 .
80 . 9 LYS HB2 H 2.074 0.020 .
81 . 9 LYS HB3 H 1.890 0.020 .
82 . 9 LYS HG2 H 1.541 0.020 .
83 . 9 LYS HG3 H 1.480 0.020 .
84 . 9 LYS HD2 H 1.776 0.020 .
85 . 9 LYS HD3 H 1.776 0.020 .
86 . 9 LYS HE2 H 2.998 0.020 .
87 . 9 LYS HE3 H 2.998 0.020 .
88 . 9 LYS C C 173.364 0.200 .
89 . 9 LYS CB C 34.728 0.200 .
90 . 9 LYS CG C 22.840 0.200 .
91 . 9 LYS CD C 26.899 0.200 .
92 . 9 LYS CE C 40.149 0.200 .
93 . 9 LYS N N 121.215 0.200 .
94 . 10 GLY H H 8.969 0.020 .
95 . 10 GLY HA2 H 4.585 0.020 .
96 . 10 GLY HA3 H 4.538 0.020 .
97 . 10 GLY C C 170.238 0.200 .
98 . 10 GLY CA C 43.414 0.200 .
99 . 10 GLY N N 112.605 0.200 .
100 . 11 ASP H H 8.770 0.020 .
101 . 11 ASP HA H 4.793 0.020 .
102 . 11 ASP HB2 H 2.820 0.020 .
103 . 11 ASP HB3 H 2.601 0.020 .
104 . 11 ASP C C 174.013 0.200 .
105 . 11 ASP CB C 38.428 0.200 .
106 . 11 ASP N N 121.561 0.200 .
107 . 12 GLY H H 8.020 0.020 .
108 . 12 GLY HA2 H 4.161 0.020 .
109 . 12 GLY HA3 H 4.371 0.020 .
110 . 12 GLY C C 171.245 0.200 .
111 . 12 GLY CA C 42.351 0.200 .
112 . 12 GLY N N 110.173 0.200 .
113 . 13 PRO HA H 4.522 0.020 .
114 . 13 PRO HB2 H 2.202 0.020 .
115 . 13 PRO HB3 H 2.145 0.020 .
116 . 13 PRO HG2 H 2.076 0.020 .
117 . 13 PRO HG3 H 2.013 0.020 .
118 . 13 PRO HD2 H 3.859 0.020 .
119 . 13 PRO HD3 H 3.587 0.020 .
120 . 13 PRO C C 174.198 0.200 .
121 . 13 PRO CA C 61.543 0.200 .
122 . 13 PRO CB C 30.485 0.200 .
123 . 13 PRO CG C 24.279 0.200 .
124 . 13 PRO CD C 47.606 0.200 .
125 . 14 VAL H H 7.273 0.020 .
126 . 14 VAL HA H 4.526 0.020 .
127 . 14 VAL HB H 1.634 0.020 .
128 . 14 VAL HG1 H 0.750 0.020 .
129 . 14 VAL HG2 H 0.443 0.020 .
130 . 14 VAL C C 173.492 0.200 .
131 . 14 VAL CA C 60.863 0.200 .
132 . 14 VAL CB C 28.220 0.200 .
133 . 14 VAL CG1 C 20.131 0.200 .
134 . 14 VAL CG2 C 19.977 0.200 .
135 . 14 VAL N N 120.508 0.200 .
136 . 15 GLN H H 8.014 0.020 .
137 . 15 GLN HA H 4.931 0.020 .
138 . 15 GLN HB2 H 2.345 0.020 .
139 . 15 GLN HB3 H 2.345 0.020 .
140 . 15 GLN HG2 H 2.185 0.020 .
141 . 15 GLN HG3 H 2.052 0.020 .
142 . 15 GLN HE21 H 7.408 0.020 .
143 . 15 GLN HE22 H 6.816 0.020 .
144 . 15 GLN C C 171.928 0.200 .
145 . 15 GLN CB C 30.359 0.200 .
146 . 15 GLN CG C 30.790 0.200 .
147 . 15 GLN N N 123.633 0.200 .
148 . 15 GLN NE2 N 111.593 0.200 .
149 . 16 GLY H H 8.237 0.020 .
150 . 16 GLY HA2 H 4.496 0.020 .
151 . 16 GLY HA3 H 4.516 0.020 .
152 . 16 GLY C C 168.361 0.200 .
153 . 16 GLY CA C 44.291 0.200 .
154 . 16 GLY N N 107.474 0.200 .
155 . 17 ILE H H 7.964 0.020 .
156 . 17 ILE HA H 4.733 0.020 .
157 . 17 ILE HB H 1.688 0.020 .
158 . 17 ILE HG12 H 0.993 0.020 .
159 . 17 ILE HG13 H 1.015 0.020 .
160 . 17 ILE HG2 H 0.678 0.020 .
161 . 17 ILE HD1 H 0.449 0.020 .
162 . 17 ILE C C 171.940 0.200 .
163 . 17 ILE CB C 38.919 0.200 .
164 . 17 ILE CG2 C 15.989 0.200 .
165 . 17 ILE CD1 C 11.847 0.200 .
166 . 17 ILE N N 120.828 0.200 .
167 . 18 ILE H H 8.749 0.020 .
168 . 18 ILE HA H 4.270 0.020 .
169 . 18 ILE HB H 1.575 0.020 .
170 . 18 ILE HG12 H 1.329 0.020 .
171 . 18 ILE HG13 H 1.329 0.020 .
172 . 18 ILE HG2 H 0.141 0.020 .
173 . 18 ILE HD1 H 0.447 0.020 .
174 . 18 ILE C C 169.726 0.200 .
175 . 18 ILE CA C 54.601 0.200 .
176 . 18 ILE CB C 35.328 0.200 .
177 . 18 ILE CG1 C 23.352 0.200 .
178 . 18 ILE CG2 C 16.679 0.200 .
179 . 18 ILE CD1 C 5.741 0.200 .
180 . 18 ILE N N 126.719 0.200 .
181 . 19 ASN H H 8.766 0.020 .
182 . 19 ASN HA H 4.775 0.020 .
183 . 19 ASN HB2 H 1.497 0.020 .
184 . 19 ASN HB3 H 1.497 0.020 .
185 . 19 ASN HD21 H 5.252 0.001 .
186 . 19 ASN HD22 H 6.522 0.002 .
187 . 19 ASN C C 169.682 0.200 .
188 . 19 ASN CB C 38.768 0.200 .
189 . 19 ASN N N 123.960 0.200 .
190 . 19 ASN ND2 N 111.546 0.200 .
191 . 20 PHE H H 8.396 0.020 .
192 . 20 PHE HA H 5.863 0.020 .
193 . 20 PHE HB2 H 2.688 0.020 .
194 . 20 PHE HB3 H 2.688 0.020 .
195 . 20 PHE HD1 H 6.852 0.020 .
196 . 20 PHE HD2 H 6.852 0.020 .
197 . 20 PHE HE1 H 6.812 0.020 .
198 . 20 PHE HE2 H 6.812 0.020 .
199 . 20 PHE C C 173.874 0.200 .
200 . 20 PHE CA C 53.234 0.200 .
201 . 20 PHE CB C 40.913 0.200 .
202 . 20 PHE N N 114.652 0.200 .
203 . 21 GLU H H 9.550 0.020 .
204 . 21 GLU HA H 5.325 0.020 .
205 . 21 GLU HB2 H 2.372 0.020 .
206 . 21 GLU HB3 H 2.299 0.003 .
207 . 21 GLU HG2 H 2.152 0.020 .
208 . 21 GLU HG3 H 2.152 0.020 .
209 . 21 GLU C C 171.164 0.200 .
210 . 21 GLU CA C 54.059 0.200 .
211 . 21 GLU CB C 31.930 0.200 .
212 . 21 GLU CG C 34.397 0.200 .
213 . 21 GLU N N 121.981 0.200 .
214 . 22 GLN H H 9.332 0.020 .
215 . 22 GLN HA H 4.945 0.020 .
216 . 22 GLN HB2 H 2.270 0.020 .
217 . 22 GLN HB3 H 2.270 0.020 .
218 . 22 GLN HG2 H 2.443 0.020 .
219 . 22 GLN HG3 H 2.443 0.020 .
220 . 22 GLN HE21 H 7.320 0.001 .
221 . 22 GLN HE22 H 8.353 0.020 .
222 . 22 GLN C C 171.905 0.200 .
223 . 22 GLN N N 130.868 0.200 .
224 . 22 GLN NE2 N 115.713 0.200 .
225 . 23 LYS H H 9.098 0.020 .
226 . 23 LYS HA H 4.134 0.020 .
227 . 23 LYS HB2 H 1.949 0.020 .
228 . 23 LYS HB3 H 1.949 0.020 .
229 . 23 LYS HG2 H 1.616 0.020 .
230 . 23 LYS HG3 H 1.481 0.020 .
231 . 23 LYS HD2 H 1.718 0.020 .
232 . 23 LYS HD3 H 1.718 0.020 .
233 . 23 LYS HE2 H 2.979 0.020 .
234 . 23 LYS HE3 H 2.979 0.020 .
235 . 23 LYS C C 173.978 0.200 .
236 . 23 LYS CA C 57.449 0.200 .
237 . 23 LYS CB C 30.623 0.200 .
238 . 23 LYS CG C 23.345 0.200 .
239 . 23 LYS CD C 26.719 0.200 .
240 . 23 LYS CE C 40.149 0.200 .
241 . 23 LYS N N 129.238 0.200 .
242 . 24 GLU H H 8.176 0.020 .
243 . 24 GLU HA H 4.694 0.020 .
244 . 24 GLU HB2 H 2.148 0.020 .
245 . 24 GLU HB3 H 1.845 0.020 .
246 . 24 GLU HG2 H 2.248 0.020 .
247 . 24 GLU HG3 H 2.248 0.020 .
248 . 24 GLU C C 174.660 0.200 .
249 . 24 GLU CA C 51.884 0.200 .
250 . 24 GLU CB C 30.008 0.200 .
251 . 24 GLU CG C 33.131 0.200 .
252 . 24 GLU N N 116.035 0.200 .
253 . 25 SER H H 8.815 0.020 .
254 . 25 SER HA H 4.006 0.020 .
255 . 25 SER HB2 H 3.826 0.020 .
256 . 25 SER HB3 H 3.826 0.020 .
257 . 25 SER C C 172.380 0.200 .
258 . 25 SER CA C 58.787 0.200 .
259 . 25 SER CB C 60.167 0.200 .
260 . 25 SER N N 118.771 0.200 .
261 . 26 ASN H H 8.454 0.020 .
262 . 26 ASN HA H 4.700 0.020 .
263 . 26 ASN HB2 H 2.933 0.020 .
264 . 26 ASN HB3 H 2.933 0.020 .
265 . 26 ASN HD21 H 7.578 0.020 .
266 . 26 ASN HD22 H 6.872 0.020 .
267 . 26 ASN C C 172.577 0.200 .
268 . 26 ASN CA C 51.884 0.200 .
269 . 26 ASN CB C 35.954 0.200 .
270 . 26 ASN N N 117.722 0.200 .
271 . 26 ASN ND2 N 113.335 0.200 .
272 . 27 GLY H H 8.000 0.020 .
273 . 27 GLY HA2 H 4.582 0.020 .
274 . 27 GLY HA3 H 3.996 0.020 .
275 . 27 GLY C C 169.659 0.200 .
276 . 27 GLY CA C 42.726 0.200 .
277 . 27 GLY N N 108.151 0.200 .
278 . 28 PRO HA H 4.604 0.020 .
279 . 28 PRO HB2 H 1.778 0.020 .
280 . 28 PRO HB3 H 2.172 0.020 .
281 . 28 PRO HG2 H 2.022 0.020 .
282 . 28 PRO HG3 H 2.022 0.020 .
283 . 28 PRO HD2 H 3.710 0.020 .
284 . 28 PRO HD3 H 3.710 0.020 .
285 . 28 PRO C C 173.735 0.200 .
286 . 28 PRO CA C 61.008 0.200 .
287 . 28 PRO CB C 30.355 0.200 .
288 . 28 PRO CG C 24.963 0.200 .
289 . 28 PRO CD C 47.742 0.200 .
290 . 29 VAL H H 9.062 0.020 .
291 . 29 VAL HA H 4.661 0.020 .
292 . 29 VAL HB H 2.164 0.020 .
293 . 29 VAL HG1 H 1.030 0.020 .
294 . 29 VAL HG2 H 0.890 0.020 .
295 . 29 VAL C C 173.029 0.200 .
296 . 29 VAL CA C 58.863 0.200 .
297 . 29 VAL CB C 31.286 0.200 .
298 . 29 VAL CG1 C 21.265 0.200 .
299 . 29 VAL CG2 C 21.511 0.200 .
300 . 29 VAL N N 121.857 0.200 .
301 . 30 LYS H H 9.227 0.020 .
302 . 30 LYS HA H 4.959 0.020 .
303 . 30 LYS HB2 H 2.069 0.020 .
304 . 30 LYS HB3 H 1.973 0.020 .
305 . 30 LYS HG2 H 1.465 0.020 .
306 . 30 LYS HG3 H 1.465 0.020 .
307 . 30 LYS HD2 H 1.615 0.020 .
308 . 30 LYS HD3 H 1.615 0.020 .
309 . 30 LYS C C 172.913 0.200 .
310 . 30 LYS CB C 32.091 0.200 .
311 . 30 LYS CG C 26.971 0.200 .
312 . 30 LYS CD C 23.157 0.200 .
313 . 30 LYS N N 128.438 0.200 .
314 . 31 VAL H H 9.316 0.020 .
315 . 31 VAL HA H 5.007 0.020 .
316 . 31 VAL HB H 2.120 0.020 .
317 . 31 VAL HG1 H 0.898 0.020 .
318 . 31 VAL HG2 H 0.334 0.020 .
319 . 31 VAL C C 173.005 0.200 .
320 . 31 VAL CB C 31.150 0.200 .
321 . 31 VAL CG1 C 18.750 0.200 .
322 . 31 VAL CG2 C 19.181 0.200 .
323 . 31 VAL N N 126.482 0.200 .
324 . 32 TRP H H 8.993 0.020 .
325 . 32 TRP HA H 5.563 0.001 .
326 . 32 TRP HB2 H 3.326 0.020 .
327 . 32 TRP HB3 H 3.490 0.020 .
328 . 32 TRP HD1 H 7.113 0.020 .
329 . 32 TRP HE1 H 10.296 0.001 .
330 . 32 TRP HE3 H 7.298 0.020 .
331 . 32 TRP HZ2 H 7.421 0.020 .
332 . 32 TRP HZ3 H 6.958 0.001 .
333 . 32 TRP HH2 H 6.856 0.020 .
334 . 32 TRP C C 170.956 0.200 .
335 . 32 TRP CA C 54.116 0.200 .
336 . 32 TRP CB C 30.302 0.200 .
337 . 32 TRP N N 126.396 0.200 .
338 . 32 TRP NE1 N 130.219 0.200 .
339 . 33 GLY H H 8.389 0.001 .
340 . 33 GLY HA2 H 3.907 0.001 .
341 . 33 GLY HA3 H 4.337 0.007 .
342 . 33 GLY C C 169.056 0.200 .
343 . 33 GLY CA C 42.910 0.200 .
344 . 33 GLY N N 108.703 0.200 .
345 . 34 SER H H 7.904 0.020 .
346 . 34 SER HA H 5.596 0.020 .
347 . 34 SER HB2 H 3.719 0.020 .
348 . 34 SER HB3 H 3.765 0.020 .
349 . 34 SER C C 170.585 0.200 .
350 . 34 SER CA C 54.759 0.200 .
351 . 34 SER CB C 62.775 0.200 .
352 . 34 SER N N 114.656 0.200 .
353 . 35 ILE H H 8.553 0.020 .
354 . 35 ILE HA H 4.594 0.020 .
355 . 35 ILE HB H 1.446 0.020 .
356 . 35 ILE HG12 H 1.404 0.020 .
357 . 35 ILE HG13 H 1.404 0.020 .
358 . 35 ILE HG2 H 0.680 0.020 .
359 . 35 ILE HD1 H 0.525 0.020 .
360 . 35 ILE C C 170.539 0.200 .
361 . 35 ILE CA C 57.901 0.200 .
362 . 35 ILE CG2 C 16.610 0.200 .
363 . 35 ILE CD1 C 12.192 0.200 .
364 . 35 ILE N N 123.649 0.200 .
365 . 36 LYS H H 9.135 0.020 .
366 . 36 LYS HA H 5.342 0.020 .
367 . 36 LYS HB2 H 1.865 0.020 .
368 . 36 LYS HB3 H 1.865 0.020 .
369 . 36 LYS HG2 H 1.364 0.020 .
370 . 36 LYS HG3 H 1.487 0.020 .
371 . 36 LYS HD2 H 1.625 0.020 .
372 . 36 LYS HD3 H 1.625 0.020 .
373 . 36 LYS HE2 H 2.914 0.020 .
374 . 36 LYS HE3 H 2.914 0.020 .
375 . 36 LYS C C 173.110 0.200 .
376 . 36 LYS CA C 52.461 0.200 .
377 . 36 LYS CB C 33.181 0.200 .
378 . 36 LYS CG C 22.201 0.200 .
379 . 36 LYS CD C 27.379 0.200 .
380 . 36 LYS CE C 40.149 0.200 .
381 . 36 LYS N N 124.669 0.200 .
382 . 37 GLY H H 8.252 0.020 .
383 . 37 GLY HA2 H 4.000 0.020 .
384 . 37 GLY HA3 H 3.610 0.020 .
385 . 37 GLY C C 172.322 0.200 .
386 . 37 GLY CA C 43.526 0.200 .
387 . 37 GLY N N 106.313 0.200 .
388 . 38 LEU H H 8.158 0.020 .
389 . 38 LEU HA H 4.052 0.020 .
390 . 38 LEU HB2 H 1.288 0.020 .
391 . 38 LEU HB3 H 0.531 0.020 .
392 . 38 LEU HG H 1.168 0.020 .
393 . 38 LEU HD1 H 0.309 0.002 .
394 . 38 LEU HD2 H -0.025 0.002 .
395 . 38 LEU C C 174.685 0.200 .
396 . 38 LEU CA C 51.181 0.200 .
397 . 38 LEU CB C 41.760 0.200 .
398 . 38 LEU CD1 C 24.410 0.200 .
399 . 38 LEU CD2 C 21.511 0.200 .
400 . 38 LEU N N 120.976 0.200 .
401 . 39 THR H H 8.508 0.020 .
402 . 39 THR HA H 4.228 0.020 .
403 . 39 THR HB H 4.357 0.020 .
404 . 39 THR HG2 H 1.390 0.020 .
405 . 39 THR C C 173.842 0.200 .
406 . 39 THR CA C 59.120 0.200 .
407 . 39 THR CB C 67.734 0.200 .
408 . 39 THR N N 110.783 0.200 .
409 . 40 GLU H H 8.847 0.020 .
410 . 40 GLU HA H 3.749 0.020 .
411 . 40 GLU HB2 H 1.896 0.020 .
412 . 40 GLU HB3 H 1.863 0.020 .
413 . 40 GLU HG2 H 2.109 0.020 .
414 . 40 GLU HG3 H 2.109 0.020 .
415 . 40 GLU C C 173.886 0.200 .
416 . 40 GLU CA C 55.584 0.200 .
417 . 40 GLU CB C 27.916 0.200 .
418 . 40 GLU N N 126.496 0.200 .
419 . 41 GLY H H 8.759 0.020 .
420 . 41 GLY HA2 H 3.753 0.020 .
421 . 41 GLY HA3 H 4.676 0.020 .
422 . 41 GLY C C 170.817 0.200 .
423 . 41 GLY CA C 41.376 0.200 .
424 . 41 GLY N N 114.578 0.200 .
425 . 42 LEU H H 8.308 0.020 .
426 . 42 LEU HA H 4.767 0.020 .
427 . 42 LEU HB2 H 1.019 0.003 .
428 . 42 LEU HB3 H 1.625 0.020 .
429 . 42 LEU HG H 1.648 0.020 .
430 . 42 LEU HD1 H 0.783 0.020 .
431 . 42 LEU HD2 H 0.860 0.020 .
432 . 42 LEU C C 175.032 0.200 .
433 . 42 LEU CB C 41.857 0.200 .
434 . 42 LEU CG C 25.412 0.200 .
435 . 42 LEU CD1 C 22.201 0.200 .
436 . 42 LEU CD2 C 23.582 0.200 .
437 . 42 LEU N N 120.856 0.200 .
438 . 43 HIS H H 8.771 0.006 .
439 . 43 HIS HA H 4.268 0.020 .
440 . 43 HIS HB2 H 3.450 0.020 .
441 . 43 HIS HB3 H 2.566 0.020 .
442 . 43 HIS HD1 H 12.812 0.020 .
443 . 43 HIS HD2 H 7.079 0.020 .
444 . 43 HIS HE1 H 8.445 0.020 .
445 . 43 HIS HE2 H 14.116 0.020 .
446 . 43 HIS C C 172.276 0.200 .
447 . 43 HIS CA C 52.367 0.200 .
448 . 43 HIS CB C 29.739 0.200 .
449 . 43 HIS N N 114.654 0.200 .
450 . 44 GLY H H 9.020 0.020 .
451 . 44 GLY HA2 H 4.740 0.020 .
452 . 44 GLY HA3 H 3.066 0.020 .
453 . 44 GLY C C 169.392 0.200 .
454 . 44 GLY CA C 44.981 0.200 .
455 . 44 GLY N N 110.836 0.200 .
456 . 45 PHE H H 8.773 0.020 .
457 . 45 PHE HA H 5.508 0.020 .
458 . 45 PHE HB2 H 2.755 0.020 .
459 . 45 PHE HB3 H 3.088 0.020 .
460 . 45 PHE HD1 H 7.057 0.020 .
461 . 45 PHE HD2 H 7.057 0.020 .
462 . 45 PHE HE1 H 7.268 0.020 .
463 . 45 PHE HE2 H 7.268 0.020 .
464 . 45 PHE C C 170.712 0.200 .
465 . 45 PHE CA C 54.001 0.200 .
466 . 45 PHE CB C 40.137 0.200 .
467 . 45 PHE N N 127.760 0.200 .
468 . 46 HIS H H 8.521 0.020 .
469 . 46 HIS HA H 5.917 0.020 .
470 . 46 HIS HB2 H 2.666 0.020 .
471 . 46 HIS HB3 H 2.899 0.020 .
472 . 46 HIS HD1 H 14.450 0.020 .
473 . 46 HIS HD2 H 7.159 0.020 .
474 . 46 HIS HE1 H 8.110 0.020 .
475 . 46 HIS C C 173.307 0.200 .
476 . 46 HIS CA C 49.267 0.200 .
477 . 46 HIS N N 118.453 0.200 .
478 . 47 VAL H H 9.755 0.020 .
479 . 47 VAL HA H 4.766 0.020 .
480 . 47 VAL HB H 2.104 0.020 .
481 . 47 VAL HG1 H 0.859 0.020 .
482 . 47 VAL HG2 H 1.012 0.020 .
483 . 47 VAL C C 174.488 0.200 .
484 . 47 VAL CB C 30.337 0.200 .
485 . 47 VAL N N 121.869 0.200 .
486 . 48 HIS H H 9.998 0.020 .
487 . 48 HIS HA H 4.938 0.020 .
488 . 48 HIS HB2 H 2.768 0.020 .
489 . 48 HIS HB3 H 3.364 0.001 .
490 . 48 HIS HD2 H 6.840 0.020 .
491 . 48 HIS C C 171.801 0.200 .
492 . 48 HIS N N 130.189 0.200 .
493 . 49 GLU H H 8.731 0.020 .
494 . 49 GLU HA H 3.748 0.020 .
495 . 49 GLU HB2 H 1.650 0.020 .
496 . 49 GLU HB3 H 1.641 0.020 .
497 . 49 GLU HG2 H 1.259 0.020 .
498 . 49 GLU HG3 H 1.239 0.020 .
499 . 49 GLU C C 172.519 0.200 .
500 . 49 GLU CA C 59.477 0.200 .
501 . 49 GLU CB C 29.104 0.200 .
502 . 49 GLU N N 119.504 0.200 .
503 . 50 PHE H H 8.601 0.020 .
504 . 50 PHE HA H 5.037 0.020 .
505 . 50 PHE HB2 H 3.010 0.020 .
506 . 50 PHE HB3 H 3.625 0.020 .
507 . 50 PHE HD1 H 7.044 0.020 .
508 . 50 PHE HD2 H 7.044 0.020 .
509 . 50 PHE HE1 H 7.290 0.020 .
510 . 50 PHE HE2 H 7.326 0.020 .
511 . 50 PHE C C 175.924 0.200 .
512 . 50 PHE CB C 36.371 0.200 .
513 . 50 PHE N N 111.535 0.200 .
514 . 51 GLY H H 10.081 0.020 .
515 . 51 GLY HA2 H 4.315 0.020 .
516 . 51 GLY HA3 H 3.701 0.020 .
517 . 51 GLY C C 169.462 0.200 .
518 . 51 GLY N N 120.213 0.200 .
519 . 52 ASP H H 6.214 0.020 .
520 . 52 ASP HA H 4.459 0.020 .
521 . 52 ASP HB2 H 2.223 0.020 .
522 . 52 ASP HB3 H 3.197 0.020 .
523 . 52 ASP C C 174.322 0.200 .
524 . 52 ASP CB C 40.040 0.200 .
525 . 52 ASP N N 115.692 0.200 .
526 . 53 ASN H H 9.303 0.020 .
527 . 53 ASN HA H 5.101 0.020 .
528 . 53 ASN HB2 H 2.643 0.020 .
529 . 53 ASN HB3 H 2.617 0.020 .
530 . 53 ASN HD21 H 6.931 0.020 .
531 . 53 ASN HD22 H 6.536 0.020 .
532 . 53 ASN C C 174.787 0.200 .
533 . 53 ASN CB C 36.972 0.200 .
534 . 53 ASN N N 127.058 0.200 .
535 . 53 ASN ND2 N 106.386 0.200 .
536 . 54 THR H H 9.142 0.020 .
537 . 54 THR HA H 3.706 0.020 .
538 . 54 THR HB H 4.043 0.020 .
539 . 54 THR HG2 H 1.311 0.020 .
540 . 54 THR C C 173.284 0.200 .
541 . 54 THR CA C 62.602 0.200 .
542 . 54 THR CB C 66.781 0.200 .
543 . 54 THR CG2 C 19.375 0.200 .
544 . 54 THR N N 117.441 0.200 .
545 . 55 ALA H H 8.158 0.020 .
546 . 55 ALA HA H 4.788 0.020 .
547 . 55 ALA HB H 1.167 0.020 .
548 . 55 ALA C C 175.232 0.200 .
549 . 55 ALA CB C 15.663 0.200 .
550 . 55 ALA N N 125.766 0.200 .
551 . 56 GLY H H 7.354 0.020 .
552 . 56 GLY HA2 H 4.029 0.020 .
553 . 56 GLY HA3 H 3.589 0.020 .
554 . 56 GLY C C 172.564 0.200 .
555 . 56 GLY CA C 44.283 0.200 .
556 . 56 GLY N N 109.173 0.200 .
557 . 57 CYS H H 8.992 0.020 .
558 . 57 CYS HA H 4.345 0.020 .
559 . 57 CYS HB2 H 2.995 0.020 .
560 . 57 CYS HB3 H 2.492 0.020 .
561 . 57 CYS C C 174.957 0.200 .
562 . 57 CYS CA C 56.390 0.200 .
563 . 57 CYS CB C 26.126 0.200 .
564 . 57 CYS N N 121.060 0.200 .
565 . 58 THR H H 8.151 0.020 .
566 . 58 THR HA H 3.988 0.020 .
567 . 58 THR HB H 4.384 0.020 .
568 . 58 THR HG2 H 1.308 0.020 .
569 . 58 THR C C 172.500 0.200 .
570 . 58 THR CA C 63.375 0.200 .
571 . 58 THR CB C 65.363 0.200 .
572 . 58 THR CG2 C 21.511 0.200 .
573 . 58 THR N N 114.899 0.200 .
574 . 59 SER H H 7.335 0.020 .
575 . 59 SER HA H 4.532 0.020 .
576 . 59 SER HB2 H 3.559 0.020 .
577 . 59 SER HB3 H 4.001 0.020 .
578 . 59 SER C C 171.844 0.200 .
579 . 59 SER CA C 55.280 0.200 .
580 . 59 SER CB C 60.857 0.200 .
581 . 59 SER N N 110.521 0.200 .
582 . 60 ALA H H 6.871 0.020 .
583 . 60 ALA HA H 4.553 0.020 .
584 . 60 ALA HB H 1.406 0.020 .
585 . 60 ALA C C 173.919 0.200 .
586 . 60 ALA CA C 55.335 0.200 .
587 . 60 ALA CB C 16.183 0.200 .
588 . 60 ALA N N 120.541 0.200 .
589 . 61 GLY H H 7.988 0.020 .
590 . 61 GLY HA2 H 4.202 0.020 .
591 . 61 GLY HA3 H 3.753 0.020 .
592 . 61 GLY C C 170.277 0.200 .
593 . 61 GLY CA C 43.230 0.200 .
594 . 61 GLY N N 103.232 0.200 .
595 . 62 PRO HA H 5.212 0.020 .
596 . 62 PRO HB2 H 2.267 0.020 .
597 . 62 PRO HB3 H 2.119 0.020 .
598 . 62 PRO HG2 H 1.915 0.020 .
599 . 62 PRO HG3 H 1.915 0.020 .
600 . 62 PRO HD2 H 3.761 0.020 .
601 . 62 PRO HD3 H 3.655 0.020 .
602 . 62 PRO C C 173.750 0.200 .
603 . 62 PRO CA C 60.857 0.200 .
604 . 62 PRO CB C 30.485 0.200 .
605 . 63 HIS H H 7.714 0.008 .
606 . 63 HIS HA H 3.726 0.020 .
607 . 63 HIS HB2 H 2.548 0.020 .
608 . 63 HIS HB3 H 2.326 0.020 .
609 . 63 HIS HD2 H 6.278 0.020 .
610 . 63 HIS C C 172.797 0.200 .
611 . 63 HIS CA C 53.977 0.200 .
612 . 63 HIS CB C 28.414 0.200 .
613 . 63 HIS N N 116.755 0.200 .
614 . 64 PHE H H 8.662 0.020 .
615 . 64 PHE HA H 4.447 0.020 .
616 . 64 PHE HB2 H 2.596 0.020 .
617 . 64 PHE HB3 H 2.405 0.020 .
618 . 64 PHE HD1 H 7.355 0.020 .
619 . 64 PHE HD2 H 7.330 0.020 .
620 . 64 PHE HE1 H 8.510 0.020 .
621 . 64 PHE C C 172.267 0.200 .
622 . 64 PHE N N 121.169 0.200 .
623 . 65 ASN H H 9.464 0.020 .
624 . 65 ASN HA H 4.794 0.020 .
625 . 65 ASN HB2 H 2.752 0.020 .
626 . 65 ASN HB3 H 1.540 0.020 .
627 . 65 ASN HD21 H 7.880 0.020 .
628 . 65 ASN HD22 H 7.831 0.020 .
629 . 65 ASN C C 170.316 0.200 .
630 . 65 ASN CB C 37.388 0.200 .
631 . 65 ASN N N 128.107 0.200 .
632 . 65 ASN ND2 N 113.963 0.200 .
633 . 66 PRO HA H 4.387 0.020 .
634 . 66 PRO HB2 H 1.785 0.020 .
635 . 66 PRO HB3 H 2.048 0.020 .
636 . 66 PRO HG2 H 2.012 0.020 .
637 . 66 PRO HG3 H 1.973 0.020 .
638 . 66 PRO HD2 H 3.610 0.020 .
639 . 66 PRO HD3 H 3.550 0.020 .
640 . 66 PRO C C 174.491 0.200 .
641 . 66 PRO CA C 62.246 0.200 .
642 . 66 PRO CD C 45.671 0.200 .
643 . 67 LEU H H 7.587 0.020 .
644 . 67 LEU HA H 4.494 0.020 .
645 . 67 LEU HB2 H 1.738 0.020 .
646 . 67 LEU HB3 H 1.612 0.020 .
647 . 67 LEU HG H 1.202 0.020 .
648 . 67 LEU HD1 H 0.810 0.020 .
649 . 67 LEU HD2 H 0.810 0.020 .
650 . 67 LEU C C 173.284 0.200 .
651 . 67 LEU CA C 53.281 0.200 .
652 . 67 LEU CB C 37.881 0.200 .
653 . 67 LEU CG C 25.653 0.200 .
654 . 67 LEU CD1 C 22.892 0.200 .
655 . 67 LEU N N 117.466 0.200 .
656 . 68 SER H H 7.425 0.020 .
657 . 68 SER HA H 3.909 0.020 .
658 . 68 SER HB2 H 4.033 0.020 .
659 . 68 SER HB3 H 4.033 0.020 .
660 . 68 SER C C 171.547 0.200 .
661 . 68 SER CA C 56.806 0.200 .
662 . 68 SER CB C 58.787 0.200 .
663 . 68 SER N N 112.575 0.200 .
664 . 69 ARG H H 8.434 0.020 .
665 . 69 ARG HA H 4.662 0.020 .
666 . 69 ARG HB2 H 1.926 0.020 .
667 . 69 ARG HB3 H 1.802 0.020 .
668 . 69 ARG HG2 H 1.468 0.020 .
669 . 69 ARG HG3 H 1.468 0.020 .
670 . 69 ARG HD2 H 3.222 0.020 .
671 . 69 ARG HD3 H 3.222 0.020 .
672 . 69 ARG HE H 7.127 0.020 .
673 . 69 ARG C C 174.131 0.200 .
674 . 69 ARG CD C 40.149 0.200 .
675 . 69 ARG N N 120.841 0.200 .
676 . 69 ARG NE N 128.813 0.200 .
677 . 70 LYS H H 8.752 0.020 .
678 . 70 LYS HA H 4.513 0.020 .
679 . 70 LYS HB2 H 1.912 0.020 .
680 . 70 LYS HB3 H 1.647 0.020 .
681 . 70 LYS HG2 H 1.512 0.020 .
682 . 70 LYS HG3 H 1.512 0.020 .
683 . 70 LYS HE2 H 3.000 0.020 .
684 . 70 LYS HE3 H 3.000 0.020 .
685 . 70 LYS C C 170.700 0.200 .
686 . 70 LYS CA C 53.698 0.200 .
687 . 70 LYS CB C 31.006 0.200 .
688 . 70 LYS CG C 23.379 0.200 .
689 . 70 LYS N N 119.233 0.200 .
690 . 71 HIS H H 7.192 0.020 .
691 . 71 HIS HA H 2.968 0.020 .
692 . 71 HIS HB2 H 2.288 0.020 .
693 . 71 HIS HB3 H 2.561 0.020 .
694 . 71 HIS HD2 H 6.781 0.020 .
695 . 71 HIS HE1 H 7.437 0.005 .
696 . 71 HIS HE2 H 14.967 0.001 .
697 . 71 HIS C C 172.391 0.200 .
698 . 71 HIS CB C 29.228 0.200 .
699 . 71 HIS N N 112.589 0.200 .
700 . 72 GLY H H 7.191 0.020 .
701 . 72 GLY HA2 H 3.981 0.020 .
702 . 72 GLY HA3 H 3.833 0.020 .
703 . 72 GLY C C 169.324 0.200 .
704 . 72 GLY CA C 42.498 0.200 .
705 . 72 GLY N N 113.347 0.200 .
706 . 73 GLY H H 8.720 0.020 .
707 . 73 GLY HA2 H 3.762 0.020 .
708 . 73 GLY HA3 H 4.375 0.001 .
709 . 73 GLY C C 170.256 0.200 .
710 . 73 GLY CA C 42.203 0.200 .
711 . 73 GLY N N 106.335 0.200 .
712 . 74 PRO HA H 4.511 0.020 .
713 . 74 PRO HB2 H 2.521 0.020 .
714 . 74 PRO HB3 H 2.521 0.020 .
715 . 74 PRO HG2 H 2.048 0.020 .
716 . 74 PRO HG3 H 2.048 0.020 .
717 . 74 PRO HD2 H 3.792 0.020 .
718 . 74 PRO HD3 H 3.201 0.020 .
719 . 74 PRO C C 176.397 0.200 .
720 . 74 PRO CA C 61.548 0.200 .
721 . 74 PRO CB C 29.623 0.200 .
722 . 74 PRO CG C 25.423 0.200 .
723 . 74 PRO CD C 47.175 0.200 .
724 . 75 LYS H H 8.648 0.020 .
725 . 75 LYS HA H 4.374 0.020 .
726 . 75 LYS HB2 H 2.025 0.020 .
727 . 75 LYS HB3 H 1.762 0.020 .
728 . 75 LYS HG2 H 1.565 0.020 .
729 . 75 LYS HG3 H 1.427 0.020 .
730 . 75 LYS HD2 H 1.688 0.020 .
731 . 75 LYS HD3 H 1.688 0.020 .
732 . 75 LYS HE2 H 3.070 0.020 .
733 . 75 LYS HE3 H 3.070 0.020 .
734 . 75 LYS C C 174.343 0.200 .
735 . 75 LYS CA C 52.944 0.200 .
736 . 75 LYS CB C 29.215 0.200 .
737 . 75 LYS CG C 26.343 0.200 .
738 . 75 LYS CE C 40.010 0.200 .
739 . 75 LYS N N 115.763 0.200 .
740 . 76 ASP H H 7.492 0.020 .
741 . 76 ASP HA H 4.531 0.020 .
742 . 76 ASP HB2 H 2.657 0.020 .
743 . 76 ASP HB3 H 2.594 0.020 .
744 . 76 ASP C C 173.369 0.200 .
745 . 76 ASP CA C 52.332 0.200 .
746 . 76 ASP CB C 39.760 0.200 .
747 . 76 ASP N N 121.165 0.200 .
748 . 77 GLU H H 8.297 0.020 .
749 . 77 GLU HA H 3.977 0.020 .
750 . 77 GLU HB2 H 1.987 0.020 .
751 . 77 GLU HB3 H 1.987 0.020 .
752 . 77 GLU HG2 H 2.332 0.020 .
753 . 77 GLU HG3 H 2.332 0.020 .
754 . 77 GLU C C 174.851 0.200 .
755 . 77 GLU CA C 56.790 0.200 .
756 . 77 GLU CB C 27.440 0.200 .
757 . 77 GLU CG C 33.349 0.200 .
758 . 77 GLU N N 121.210 0.200 .
759 . 78 GLU H H 8.107 0.020 .
760 . 78 GLU HA H 4.154 0.020 .
761 . 78 GLU HB2 H 1.981 0.020 .
762 . 78 GLU HB3 H 1.791 0.020 .
763 . 78 GLU HG2 H 2.266 0.020 .
764 . 78 GLU HG3 H 1.910 0.020 .
765 . 78 GLU C C 169.027 0.200 .
766 . 78 GLU CA C 53.143 0.200 .
767 . 78 GLU CB C 25.554 0.200 .
768 . 78 GLU CG C 33.496 0.200 .
769 . 78 GLU N N 119.592 0.200 .
770 . 79 ARG H H 6.974 0.020 .
771 . 79 ARG HA H 4.665 0.020 .
772 . 79 ARG HB2 H 1.974 0.020 .
773 . 79 ARG HB3 H 1.624 0.020 .
774 . 79 ARG HG2 H 3.219 0.020 .
775 . 79 ARG HG3 H 3.219 0.020 .
776 . 79 ARG HD2 H 3.382 0.020 .
777 . 79 ARG HD3 H 3.382 0.020 .
778 . 79 ARG C C 172.797 0.200 .
779 . 79 ARG N N 119.093 0.200 .
780 . 80 HIS H H 8.274 0.020 .
781 . 80 HIS HA H 4.799 0.020 .
782 . 80 HIS HB2 H 2.795 0.020 .
783 . 80 HIS HB3 H 2.795 0.020 .
784 . 80 HIS HD2 H 6.747 0.020 .
785 . 80 HIS HE1 H 8.424 0.020 .
786 . 80 HIS HE2 H 12.811 0.020 .
787 . 80 HIS C C 176.270 0.200 .
788 . 80 HIS N N 118.409 0.200 .
789 . 81 VAL H H 7.820 0.020 .
790 . 81 VAL HA H 3.557 0.020 .
791 . 81 VAL HB H 1.187 0.020 .
792 . 81 VAL HG1 H 0.514 0.020 .
793 . 81 VAL HG2 H 0.897 0.020 .
794 . 81 VAL C C 174.322 0.200 .
795 . 81 VAL CB C 28.414 0.200 .
796 . 81 VAL CG1 C 19.440 0.200 .
797 . 81 VAL N N 128.468 0.200 .
798 . 82 GLY H H 8.382 0.020 .
799 . 82 GLY HA2 H 4.367 0.020 .
800 . 82 GLY HA3 H 4.104 0.020 .
801 . 82 GLY C C 170.658 0.200 .
802 . 82 GLY CA C 44.015 0.200 .
803 . 82 GLY N N 98.426 0.200 .
804 . 83 ASP H H 6.959 0.020 .
805 . 83 ASP HA H 4.866 0.020 .
806 . 83 ASP HB2 H 2.964 0.020 .
807 . 83 ASP HB3 H 2.747 0.020 .
808 . 83 ASP C C 169.536 0.200 .
809 . 83 ASP CB C 37.620 0.200 .
810 . 83 ASP N N 123.227 0.200 .
811 . 84 LEU H H 7.132 0.020 .
812 . 84 LEU HA H 4.605 0.020 .
813 . 84 LEU HB2 H 1.836 0.020 .
814 . 84 LEU HB3 H 1.836 0.020 .
815 . 84 LEU HG H 1.531 0.020 .
816 . 84 LEU HD1 H 0.865 0.020 .
817 . 84 LEU HD2 H 0.620 0.020 .
818 . 84 LEU C C 174.110 0.200 .
819 . 84 LEU CA C 51.801 0.200 .
820 . 84 LEU CB C 39.492 0.200 .
821 . 84 LEU CG C 24.014 0.200 .
822 . 84 LEU CD1 C 20.131 0.200 .
823 . 84 LEU CD2 C 23.582 0.200 .
824 . 84 LEU N N 119.795 0.200 .
825 . 85 GLY H H 8.409 0.020 .
826 . 85 GLY HA2 H 3.636 0.020 .
827 . 85 GLY HA3 H 4.050 0.020 .
828 . 85 GLY C C 168.816 0.200 .
829 . 85 GLY CA C 44.192 0.200 .
830 . 85 GLY N N 107.315 0.200 .
831 . 86 ASN H H 8.272 0.020 .
832 . 86 ASN HA H 5.831 0.020 .
833 . 86 ASN HB2 H 2.286 0.020 .
834 . 86 ASN HB3 H 2.540 0.020 .
835 . 86 ASN HD21 H 7.788 0.004 .
836 . 86 ASN HD22 H 8.099 0.020 .
837 . 86 ASN C C 174.046 0.200 .
838 . 86 ASN CA C 50.462 0.200 .
839 . 86 ASN CB C 42.224 0.200 .
840 . 86 ASN N N 119.093 0.200 .
841 . 86 ASN ND2 N 114.234 0.200 .
842 . 87 VAL H H 8.965 0.020 .
843 . 87 VAL HA H 4.573 0.020 .
844 . 87 VAL HB H 1.812 0.020 .
845 . 87 VAL HG1 H 0.432 0.020 .
846 . 87 VAL HG2 H -0.004 0.020 .
847 . 87 VAL C C 172.204 0.200 .
848 . 87 VAL CA C 56.941 0.200 .
849 . 87 VAL CB C 29.797 0.200 .
850 . 87 VAL CG1 C 19.440 0.200 .
851 . 87 VAL N N 113.855 0.200 .
852 . 88 THR H H 8.686 0.020 .
853 . 88 THR HA H 4.663 0.020 .
854 . 88 THR HB H 3.927 0.020 .
855 . 88 THR HG2 H 1.025 0.020 .
856 . 88 THR C C 171.060 0.200 .
857 . 88 THR CA C 60.167 0.200 .
858 . 88 THR CB C 67.704 0.200 .
859 . 88 THR CG2 C 19.095 0.200 .
860 . 88 THR N N 118.486 0.200 .
861 . 89 ALA H H 9.391 0.020 .
862 . 89 ALA HA H 4.674 0.020 .
863 . 89 ALA HB H 1.280 0.020 .
864 . 89 ALA C C 175.042 0.200 .
865 . 89 ALA CA C 47.616 0.200 .
866 . 89 ALA N N 129.455 0.200 .
867 . 90 ASP H H 8.475 0.020 .
868 . 90 ASP HA H 4.582 0.020 .
869 . 90 ASP HB2 H 3.369 0.020 .
870 . 90 ASP HB3 H 2.860 0.020 .
871 . 90 ASP C C 174.618 0.200 .
872 . 90 ASP CA C 50.595 0.200 .
873 . 90 ASP CB C 39.380 0.200 .
874 . 90 ASP N N 125.042 0.200 .
875 . 91 LYS H H 8.210 0.020 .
876 . 91 LYS HA H 3.983 0.020 .
877 . 91 LYS HB2 H 1.902 0.020 .
878 . 91 LYS HB3 H 1.822 0.020 .
879 . 91 LYS HG2 H 1.391 0.020 .
880 . 91 LYS HG3 H 1.449 0.020 .
881 . 91 LYS HD2 H 1.676 0.020 .
882 . 91 LYS HD3 H 1.676 0.020 .
883 . 91 LYS C C 174.830 0.200 .
884 . 91 LYS CA C 56.467 0.200 .
885 . 91 LYS CB C 29.626 0.200 .
886 . 91 LYS CG C 21.637 0.200 .
887 . 91 LYS CD C 26.739 0.200 .
888 . 91 LYS N N 115.552 0.200 .
889 . 92 ASP H H 8.129 0.020 .
890 . 92 ASP HA H 4.785 0.020 .
891 . 92 ASP HB2 H 2.808 0.020 .
892 . 92 ASP HB3 H 2.921 0.020 .
893 . 92 ASP C C 173.771 0.200 .
894 . 92 ASP CB C 39.232 0.200 .
895 . 92 ASP N N 119.738 0.200 .
896 . 93 GLY H H 8.425 0.020 .
897 . 93 GLY HA2 H 3.856 0.020 .
898 . 93 GLY HA3 H 4.137 0.020 .
899 . 93 GLY C C 170.467 0.200 .
900 . 93 GLY CA C 44.962 0.200 .
901 . 93 GLY N N 111.511 0.200 .
902 . 94 VAL H H 7.845 0.020 .
903 . 94 VAL HA H 4.713 0.020 .
904 . 94 VAL HB H 2.185 0.020 .
905 . 94 VAL HG1 H 0.776 0.020 .
906 . 94 VAL HG2 H 0.862 0.020 .
907 . 94 VAL C C 174.194 0.200 .
908 . 94 VAL CB C 30.586 0.200 .
909 . 94 VAL CG1 C 18.644 0.200 .
910 . 94 VAL CG2 C 19.785 0.200 .
911 . 94 VAL N N 119.081 0.200 .
912 . 95 ALA H H 9.735 0.020 .
913 . 95 ALA HA H 5.155 0.020 .
914 . 95 ALA HB H 0.767 0.020 .
915 . 95 ALA C C 172.416 0.200 .
916 . 95 ALA CA C 48.179 0.200 .
917 . 95 ALA N N 131.942 0.200 .
918 . 96 ASP H H 8.552 0.020 .
919 . 96 ASP HA H 5.008 0.020 .
920 . 96 ASP HB2 H 2.705 0.020 .
921 . 96 ASP HB3 H 2.605 0.020 .
922 . 96 ASP C C 173.263 0.200 .
923 . 96 ASP CB C 38.941 0.200 .
924 . 96 ASP N N 126.006 0.200 .
925 . 97 VAL H H 8.695 0.020 .
926 . 97 VAL HA H 4.042 0.020 .
927 . 97 VAL HB H 1.594 0.020 .
928 . 97 VAL HG1 H 0.688 0.020 .
929 . 97 VAL HG2 H 0.477 0.020 .
930 . 97 VAL C C 174.173 0.200 .
931 . 97 VAL CA C 60.290 0.200 .
932 . 97 VAL CB C 30.969 0.200 .
933 . 97 VAL CG1 C 18.462 0.200 .
934 . 97 VAL CG2 C 18.750 0.200 .
935 . 97 VAL N N 126.408 0.200 .
936 . 98 SER H H 8.767 0.020 .
937 . 98 SER HA H 5.147 0.020 .
938 . 98 SER HB2 H 3.908 0.020 .
939 . 98 SER HB3 H 3.860 0.020 .
940 . 98 SER C C 170.679 0.200 .
941 . 98 SER CA C 56.137 0.200 .
942 . 98 SER CB C 60.743 0.200 .
943 . 98 SER N N 123.711 0.200 .
944 . 99 ILE H H 9.406 0.020 .
945 . 99 ILE HA H 4.778 0.020 .
946 . 99 ILE HB H 1.817 0.020 .
947 . 99 ILE HG12 H 1.495 0.020 .
948 . 99 ILE HG13 H 1.187 0.020 .
949 . 99 ILE HG2 H 1.039 0.020 .
950 . 99 ILE HD1 H 0.990 0.020 .
951 . 99 ILE C C 172.013 0.200 .
952 . 99 ILE CB C 42.018 0.200 .
953 . 99 ILE CG1 C 25.306 0.200 .
954 . 99 ILE CG2 C 15.860 0.200 .
955 . 99 ILE CD1 C 12.480 0.200 .
956 . 99 ILE N N 126.161 0.200 .
957 . 100 GLU H H 8.614 0.020 .
958 . 100 GLU HA H 5.385 0.020 .
959 . 100 GLU HB2 H 1.976 0.020 .
960 . 100 GLU HB3 H 1.976 0.020 .
961 . 100 GLU HG2 H 2.152 0.020 .
962 . 100 GLU HG3 H 2.152 0.020 .
963 . 100 GLU C C 172.924 0.200 .
964 . 100 GLU CA C 53.359 0.200 .
965 . 100 GLU CB C 30.434 0.200 .
966 . 100 GLU CG C 34.627 0.200 .
967 . 100 GLU N N 124.560 0.200 .
968 . 101 ASP H H 9.319 0.020 .
969 . 101 ASP HA H 5.153 0.020 .
970 . 101 ASP HB2 H 2.376 0.020 .
971 . 101 ASP HB3 H 2.577 0.020 .
972 . 101 ASP C C 172.162 0.200 .
973 . 101 ASP CA C 52.482 0.200 .
974 . 101 ASP CB C 44.996 0.200 .
975 . 101 ASP N N 126.614 0.200 .
976 . 102 SER H H 8.995 0.020 .
977 . 102 SER HA H 4.827 0.020 .
978 . 102 SER HB2 H 3.947 0.020 .
979 . 102 SER HB3 H 3.947 0.020 .
980 . 102 SER C C 170.365 0.200 .
981 . 102 SER CB C 62.238 0.200 .
982 . 102 SER N N 119.118 0.200 .
983 . 103 VAL H H 8.203 0.020 .
984 . 103 VAL HA H 4.134 0.020 .
985 . 103 VAL HB H 2.384 0.020 .
986 . 103 VAL HG1 H 0.945 0.020 .
987 . 103 VAL HG2 H 0.945 0.020 .
988 . 103 VAL C C 176.185 0.200 .
989 . 103 VAL CA C 62.703 0.200 .
990 . 103 VAL CB C 30.165 0.200 .
991 . 103 VAL CG1 C 21.511 0.200 .
992 . 103 VAL N N 123.695 0.200 .
993 . 104 ILE H H 8.106 0.020 .
994 . 104 ILE HA H 4.172 0.020 .
995 . 104 ILE HB H 1.821 0.020 .
996 . 104 ILE HG12 H 1.321 0.020 .
997 . 104 ILE HG13 H 1.321 0.020 .
998 . 104 ILE HG2 H 1.053 0.020 .
999 . 104 ILE HD1 H 0.883 0.020 .
1000 . 104 ILE C C 170.023 0.200 .
1001 . 104 ILE CA C 61.084 0.200 .
1002 . 104 ILE CB C 37.482 0.200 .
1003 . 104 ILE CG1 C 21.856 0.200 .
1004 . 104 ILE CG2 C 17.369 0.200 .
1005 . 104 ILE CD1 C 11.847 0.200 .
1006 . 104 ILE N N 112.163 0.200 .
1007 . 105 SER H H 7.035 0.020 .
1008 . 105 SER HA H 4.502 0.020 .
1009 . 105 SER HB2 H 3.856 0.020 .
1010 . 105 SER HB3 H 3.531 0.020 .
1011 . 105 SER C C 170.594 0.200 .
1012 . 105 SER CA C 53.955 0.200 .
1013 . 105 SER CB C 63.619 0.200 .
1014 . 105 SER N N 108.092 0.200 .
1015 . 106 LEU H H 8.472 0.020 .
1016 . 106 LEU HA H 4.652 0.020 .
1017 . 106 LEU HB2 H 1.924 0.020 .
1018 . 106 LEU HB3 H 1.602 0.020 .
1019 . 106 LEU HG H 1.452 0.020 .
1020 . 106 LEU HD1 H 0.668 0.020 .
1021 . 106 LEU HD2 H 0.418 0.020 .
1022 . 106 LEU C C 172.522 0.200 .
1023 . 106 LEU CA C 51.884 0.200 .
1024 . 106 LEU CB C 37.969 0.200 .
1025 . 106 LEU CG C 24.888 0.200 .
1026 . 106 LEU CD1 C 23.847 0.200 .
1027 . 106 LEU CD2 C 19.341 0.200 .
1028 . 106 LEU N N 121.581 0.200 .
1029 . 107 SER H H 8.163 0.020 .
1030 . 107 SER HA H 4.638 0.020 .
1031 . 107 SER HB2 H 3.846 0.020 .
1032 . 107 SER HB3 H 3.846 0.020 .
1033 . 107 SER HG H 5.718 0.020 .
1034 . 107 SER C C 171.526 0.200 .
1035 . 107 SER CA C 55.809 0.200 .
1036 . 107 SER CB C 63.532 0.200 .
1037 . 107 SER N N 111.156 0.200 .
1038 . 108 GLY H H 8.734 0.020 .
1039 . 108 GLY HA2 H 3.908 0.020 .
1040 . 108 GLY HA3 H 4.269 0.020 .
1041 . 108 GLY C C 173.432 0.200 .
1042 . 108 GLY CA C 43.131 0.200 .
1043 . 108 GLY N N 108.356 0.200 .
1044 . 109 ASP H H 8.766 0.020 .
1045 . 109 ASP HA H 4.409 0.020 .
1046 . 109 ASP HB2 H 2.557 0.020 .
1047 . 109 ASP HB3 H 2.679 0.020 .
1048 . 109 ASP C C 176.037 0.200 .
1049 . 109 ASP CA C 54.848 0.200 .
1050 . 109 ASP CB C 37.880 0.200 .
1051 . 109 ASP N N 120.870 0.200 .
1052 . 110 HIS H H 9.399 0.020 .
1053 . 110 HIS HA H 4.968 0.020 .
1054 . 110 HIS HB2 H 3.568 0.020 .
1055 . 110 HIS HB3 H 3.276 0.020 .
1056 . 110 HIS HD2 H 6.986 0.020 .
1057 . 110 HIS HE1 H 7.360 0.020 .
1058 . 110 HIS C C 170.594 0.200 .
1059 . 110 HIS CB C 25.667 0.200 .
1060 . 110 HIS N N 117.071 0.200 .
1061 . 111 SER H H 7.245 0.020 .
1062 . 111 SER HA H 4.026 0.020 .
1063 . 111 SER HB2 H 3.763 0.020 .
1064 . 111 SER HB3 H 3.548 0.020 .
1065 . 111 SER C C 174.703 0.200 .
1066 . 111 SER CA C 55.787 0.200 .
1067 . 111 SER CB C 61.723 0.200 .
1068 . 111 SER N N 110.847 0.200 .
1069 . 112 ILE H H 7.829 0.020 .
1070 . 112 ILE HA H 3.766 0.020 .
1071 . 112 ILE HB H 1.936 0.020 .
1072 . 112 ILE HG12 H 0.646 0.020 .
1073 . 112 ILE HG13 H 0.882 0.020 .
1074 . 112 ILE HG2 H 1.016 0.020 .
1075 . 112 ILE HD1 H 0.260 0.020 .
1076 . 112 ILE C C 172.119 0.200 .
1077 . 112 ILE CA C 58.635 0.200 .
1078 . 112 ILE CB C 34.457 0.200 .
1079 . 112 ILE CG1 C 22.004 0.200 .
1080 . 112 ILE CG2 C 15.989 0.200 .
1081 . 112 ILE CD1 C 12.123 0.200 .
1082 . 112 ILE N N 117.075 0.200 .
1083 . 113 ILE H H 7.648 0.020 .
1084 . 113 ILE HA H 3.251 0.020 .
1085 . 113 ILE HB H 1.700 0.020 .
1086 . 113 ILE HG12 H 1.434 0.020 .
1087 . 113 ILE HG13 H 1.145 0.020 .
1088 . 113 ILE HG2 H 0.815 0.020 .
1089 . 113 ILE HD1 H 0.651 0.020 .
1090 . 113 ILE C C 174.364 0.200 .
1091 . 113 ILE CA C 59.294 0.200 .
1092 . 113 ILE CB C 32.769 0.200 .
1093 . 113 ILE CG1 C 25.340 0.200 .
1094 . 113 ILE CG2 C 16.580 0.200 .
1095 . 113 ILE CD1 C 9.733 0.200 .
1096 . 113 ILE N N 121.952 0.200 .
1097 . 114 GLY H H 9.690 0.020 .
1098 . 114 GLY HA2 H 3.434 0.020 .
1099 . 114 GLY HA3 H 4.189 0.020 .
1100 . 114 GLY C C 170.340 0.200 .
1101 . 114 GLY CA C 43.076 0.200 .
1102 . 114 GLY N N 113.643 0.200 .
1103 . 115 ARG H H 7.408 0.020 .
1104 . 115 ARG HA H 4.446 0.020 .
1105 . 115 ARG HB2 H 1.155 0.020 .
1106 . 115 ARG HB3 H 1.117 0.020 .
1107 . 115 ARG HG2 H 0.947 0.020 .
1108 . 115 ARG HG3 H 0.947 0.020 .
1109 . 115 ARG HD2 H 2.225 0.020 .
1110 . 115 ARG HD3 H 1.165 0.020 .
1111 . 115 ARG C C 171.886 0.200 .
1112 . 115 ARG CA C 52.568 0.200 .
1113 . 115 ARG N N 118.801 0.200 .
1114 . 116 THR H H 6.970 0.020 .
1115 . 116 THR HA H 5.070 0.020 .
1116 . 116 THR HB H 3.617 0.020 .
1117 . 116 THR HG2 H 1.095 0.020 .
1118 . 116 THR C C 171.082 0.200 .
1119 . 116 THR CB C 68.372 0.200 .
1120 . 116 THR CG2 C 22.611 0.200 .
1121 . 116 THR N N 111.881 0.200 .
1122 . 117 LEU H H 8.803 0.020 .
1123 . 117 LEU HA H 4.934 0.020 .
1124 . 117 LEU HB2 H 1.007 0.020 .
1125 . 117 LEU HB3 H 1.717 0.020 .
1126 . 117 LEU HG H 1.135 0.020 .
1127 . 117 LEU HD1 H 0.808 0.003 .
1128 . 117 LEU HD2 H 0.193 0.020 .
1129 . 117 LEU C C 172.394 0.200 .
1130 . 117 LEU CB C 41.677 0.200 .
1131 . 117 LEU CG C 24.272 0.200 .
1132 . 117 LEU CD1 C 25.193 0.200 .
1133 . 117 LEU CD2 C 20.131 0.200 .
1134 . 117 LEU N N 129.409 0.200 .
1135 . 118 VAL H H 9.149 0.020 .
1136 . 118 VAL HA H 4.613 0.020 .
1137 . 118 VAL HB H 1.792 0.020 .
1138 . 118 VAL HG1 H 0.420 0.017 .
1139 . 118 VAL HG2 H 0.532 0.020 .
1140 . 118 VAL C C 171.738 0.200 .
1141 . 118 VAL CA C 58.901 0.200 .
1142 . 118 VAL CB C 34.627 0.200 .
1143 . 118 VAL CG1 C 18.533 0.200 .
1144 . 118 VAL CG2 C 20.131 0.200 .
1145 . 118 VAL N N 124.324 0.200 .
1146 . 119 VAL H H 7.953 0.020 .
1147 . 119 VAL HA H 5.596 0.020 .
1148 . 119 VAL HB H 1.794 0.020 .
1149 . 119 VAL HG1 H 1.028 0.020 .
1150 . 119 VAL HG2 H 0.847 0.020 .
1151 . 119 VAL C C 171.442 0.200 .
1152 . 119 VAL CA C 56.492 0.200 .
1153 . 119 VAL CB C 33.389 0.200 .
1154 . 119 VAL CG1 C 20.303 0.200 .
1155 . 119 VAL CG2 C 18.474 0.200 .
1156 . 119 VAL N N 122.271 0.200 .
1157 . 120 HIS H H 8.982 0.020 .
1158 . 120 HIS HA H 5.161 0.020 .
1159 . 120 HIS HB2 H 4.281 0.020 .
1160 . 120 HIS HB3 H 2.960 0.020 .
1161 . 120 HIS HD1 H 10.660 0.020 .
1162 . 120 HIS HD2 H 5.938 0.020 .
1163 . 120 HIS HE1 H 8.150 0.020 .
1164 . 120 HIS C C 173.009 0.200 .
1165 . 120 HIS CA C 54.629 0.200 .
1166 . 120 HIS CB C 31.175 0.200 .
1167 . 120 HIS N N 126.329 0.200 .
1168 . 121 GLU H H 9.259 0.020 .
1169 . 121 GLU HA H 4.126 0.020 .
1170 . 121 GLU HB2 H 2.352 0.020 .
1171 . 121 GLU HB3 H 2.214 0.020 .
1172 . 121 GLU HG2 H 2.450 0.020 .
1173 . 121 GLU HG3 H 2.450 0.020 .
1174 . 121 GLU C C 172.733 0.200 .
1175 . 121 GLU CA C 57.406 0.200 .
1176 . 121 GLU CB C 30.140 0.200 .
1177 . 121 GLU CG C 32.652 0.200 .
1178 . 121 GLU N N 122.711 0.200 .
1179 . 122 LYS H H 8.468 0.020 .
1180 . 122 LYS HA H 4.762 0.020 .
1181 . 122 LYS HB2 H 1.610 0.020 .
1182 . 122 LYS HB3 H 1.989 0.020 .
1183 . 122 LYS HG2 H 1.306 0.020 .
1184 . 122 LYS HG3 H 1.306 0.020 .
1185 . 122 LYS HD2 H 1.664 0.020 .
1186 . 122 LYS HD3 H 1.664 0.020 .
1187 . 122 LYS HE2 H 3.010 0.020 .
1188 . 122 LYS HE3 H 3.010 0.020 .
1189 . 122 LYS C C 172.140 0.200 .
1190 . 122 LYS CB C 32.837 0.200 .
1191 . 122 LYS CG C 21.511 0.200 .
1192 . 122 LYS CD C 27.058 0.200 .
1193 . 122 LYS N N 116.117 0.200 .
1194 . 123 ALA H H 7.864 0.020 .
1195 . 123 ALA HA H 3.690 0.020 .
1196 . 123 ALA HB H 1.081 0.020 .
1197 . 123 ALA C C 174.427 0.200 .
1198 . 123 ALA CA C 49.831 0.200 .
1199 . 123 ALA CB C 18.060 0.200 .
1200 . 123 ALA N N 121.869 0.200 .
1201 . 124 ASP H H 10.135 0.020 .
1202 . 124 ASP HA H 4.609 0.020 .
1203 . 124 ASP HB2 H 2.998 0.020 .
1204 . 124 ASP HB3 H 2.335 0.020 .
1205 . 124 ASP C C 175.126 0.200 .
1206 . 124 ASP CB C 40.690 0.200 .
1207 . 124 ASP N N 122.530 0.200 .
1208 . 125 ASP H H 10.103 0.020 .
1209 . 125 ASP HA H 4.330 0.020 .
1210 . 125 ASP HB2 H 2.970 0.020 .
1211 . 125 ASP HB3 H 2.651 0.020 .
1212 . 125 ASP C C 176.291 0.200 .
1213 . 125 ASP CA C 52.069 0.200 .
1214 . 125 ASP CB C 37.179 0.200 .
1215 . 125 ASP N N 130.202 0.200 .
1216 . 126 LEU H H 10.482 0.020 .
1217 . 126 LEU HA H 3.456 0.020 .
1218 . 126 LEU HB2 H 1.619 0.020 .
1219 . 126 LEU HB3 H 1.468 0.020 .
1220 . 126 LEU HG H 2.143 0.020 .
1221 . 126 LEU HD1 H 0.961 0.020 .
1222 . 126 LEU HD2 H 0.833 0.020 .
1223 . 126 LEU C C 174.787 0.200 .
1224 . 126 LEU CA C 53.000 0.200 .
1225 . 126 LEU CB C 35.874 0.200 .
1226 . 126 LEU CD1 C 23.297 0.200 .
1227 . 126 LEU CD2 C 20.131 0.200 .
1228 . 126 LEU N N 117.409 0.200 .
1229 . 127 GLY H H 8.650 0.020 .
1230 . 127 GLY HA2 H 4.141 0.020 .
1231 . 127 GLY HA3 H 3.975 0.020 .
1232 . 127 GLY C C 174.491 0.200 .
1233 . 127 GLY CA C 43.600 0.200 .
1234 . 127 GLY N N 104.648 0.200 .
1235 . 128 LYS H H 7.452 0.020 .
1236 . 128 LYS HA H 4.556 0.020 .
1237 . 128 LYS HB2 H 2.194 0.020 .
1238 . 128 LYS HB3 H 1.619 0.020 .
1239 . 128 LYS HG2 H 1.391 0.020 .
1240 . 128 LYS HG3 H 1.293 0.020 .
1241 . 128 LYS HD2 H 1.590 0.020 .
1242 . 128 LYS HD3 H 1.590 0.020 .
1243 . 128 LYS HE2 H 3.050 0.020 .
1244 . 128 LYS HE3 H 3.050 0.020 .
1245 . 128 LYS C C 175.105 0.200 .
1246 . 128 LYS CA C 52.372 0.200 .
1247 . 128 LYS CB C 29.398 0.200 .
1248 . 128 LYS CG C 21.825 0.200 .
1249 . 128 LYS CD C 25.855 0.200 .
1250 . 128 LYS CE C 40.149 0.200 .
1251 . 128 LYS N N 119.169 0.200 .
1252 . 129 GLY H H 8.621 0.020 .
1253 . 129 GLY HA2 H 4.061 0.020 .
1254 . 129 GLY HA3 H 3.756 0.003 .
1255 . 129 GLY C C 172.797 0.200 .
1256 . 129 GLY CA C 43.589 0.200 .
1257 . 129 GLY N N 108.732 0.200 .
1258 . 130 GLY H H 8.868 0.020 .
1259 . 130 GLY HA2 H 3.971 0.020 .
1260 . 130 GLY HA3 H 3.751 0.020 .
1261 . 130 GLY C C 171.124 0.200 .
1262 . 130 GLY CA C 43.917 0.200 .
1263 . 130 GLY N N 107.748 0.200 .
1264 . 131 ASN H H 7.142 0.020 .
1265 . 131 ASN HA H 4.914 0.020 .
1266 . 131 ASN HB2 H 3.184 0.020 .
1267 . 131 ASN HB3 H 2.937 0.020 .
1268 . 131 ASN HD21 H 7.474 0.020 .
1269 . 131 ASN HD22 H 6.583 0.020 .
1270 . 131 ASN C C 173.136 0.200 .
1271 . 131 ASN CB C 38.289 0.200 .
1272 . 131 ASN N N 112.898 0.200 .
1273 . 131 ASN ND2 N 113.272 0.200 .
1274 . 132 GLU H H 8.920 0.020 .
1275 . 132 GLU HA H 4.010 0.020 .
1276 . 132 GLU HB2 H 2.079 0.020 .
1277 . 132 GLU HB3 H 1.996 0.020 .
1278 . 132 GLU HG2 H 2.235 0.020 .
1279 . 132 GLU HG3 H 2.309 0.020 .
1280 . 132 GLU C C 176.545 0.200 .
1281 . 132 GLU CA C 57.244 0.200 .
1282 . 132 GLU CB C 27.133 0.200 .
1283 . 132 GLU CG C 33.599 0.200 .
1284 . 132 GLU N N 121.257 0.200 .
1285 . 133 GLU H H 8.514 0.020 .
1286 . 133 GLU HA H 4.039 0.020 .
1287 . 133 GLU HB2 H 2.121 0.020 .
1288 . 133 GLU HB3 H 2.071 0.020 .
1289 . 133 GLU HG2 H 2.327 0.020 .
1290 . 133 GLU HG3 H 2.327 0.020 .
1291 . 133 GLU C C 177.032 0.200 .
1292 . 133 GLU CA C 56.109 0.200 .
1293 . 133 GLU CB C 26.516 0.200 .
1294 . 133 GLU N N 118.107 0.200 .
1295 . 134 SER H H 8.183 0.020 .
1296 . 134 SER HA H 3.731 0.001 .
1297 . 134 SER HB2 H 4.084 0.020 .
1298 . 134 SER HB3 H 3.900 0.020 .
1299 . 134 SER C C 173.665 0.200 .
1300 . 134 SER CA C 60.167 0.200 .
1301 . 134 SER CB C 61.548 0.200 .
1302 . 134 SER N N 116.726 0.200 .
1303 . 135 THR H H 7.217 0.020 .
1304 . 135 THR HA H 4.508 0.020 .
1305 . 135 THR HB H 4.589 0.020 .
1306 . 135 THR HG2 H 1.412 0.020 .
1307 . 135 THR C C 171.865 0.200 .
1308 . 135 THR CA C 60.857 0.200 .
1309 . 135 THR CB C 66.832 0.200 .
1310 . 135 THR CG2 C 19.347 0.200 .
1311 . 135 THR N N 102.257 0.200 .
1312 . 136 LYS H H 7.694 0.020 .
1313 . 136 LYS HA H 4.661 0.020 .
1314 . 136 LYS HB2 H 1.902 0.020 .
1315 . 136 LYS HB3 H 1.819 0.020 .
1316 . 136 LYS HG2 H 1.573 0.020 .
1317 . 136 LYS HG3 H 1.365 0.020 .
1318 . 136 LYS HD2 H 1.722 0.020 .
1319 . 136 LYS HD3 H 1.722 0.020 .
1320 . 136 LYS HE2 H 2.895 0.020 .
1321 . 136 LYS HE3 H 2.895 0.020 .
1322 . 136 LYS C C 174.766 0.200 .
1323 . 136 LYS CA C 56.255 0.200 .
1324 . 136 LYS CB C 32.569 0.200 .
1325 . 136 LYS CG C 22.892 0.200 .
1326 . 136 LYS CD C 27.724 0.200 .
1327 . 136 LYS N N 123.313 0.200 .
1328 . 137 THR H H 8.550 0.020 .
1329 . 137 THR HA H 3.775 0.020 .
1330 . 137 THR HB H 4.529 0.020 .
1331 . 137 THR HG2 H 0.999 0.020 .
1332 . 137 THR C C 173.729 0.200 .
1333 . 137 THR CA C 58.787 0.200 .
1334 . 137 THR CB C 69.831 0.200 .
1335 . 137 THR CG2 C 19.440 0.200 .
1336 . 137 THR N N 106.674 0.200 .
1337 . 138 GLY H H 7.385 0.020 .
1338 . 138 GLY HA2 H 4.501 0.020 .
1339 . 138 GLY HA3 H 4.227 0.020 .
1340 . 138 GLY C C 171.230 0.200 .
1341 . 138 GLY CA C 43.431 0.200 .
1342 . 138 GLY N N 111.554 0.200 .
1343 . 139 ASN H H 7.801 0.020 .
1344 . 139 ASN HA H 3.972 0.020 .
1345 . 139 ASN HB2 H 2.924 0.020 .
1346 . 139 ASN HB3 H 2.924 0.020 .
1347 . 139 ASN HD21 H 8.434 0.020 .
1348 . 139 ASN HD22 H 7.119 0.020 .
1349 . 139 ASN C C 171.442 0.200 .
1350 . 139 ASN CB C 35.103 0.200 .
1351 . 139 ASN N N 110.158 0.200 .
1352 . 139 ASN ND2 N 116.035 0.200 .
1353 . 140 ALA H H 8.734 0.020 .
1354 . 140 ALA HA H 4.341 0.020 .
1355 . 140 ALA HB H 0.888 0.020 .
1356 . 140 ALA C C 175.169 0.200 .
1357 . 140 ALA CA C 50.682 0.200 .
1358 . 140 ALA CB C 14.282 0.200 .
1359 . 140 ALA N N 118.154 0.200 .
1360 . 141 GLY H H 8.245 0.020 .
1361 . 141 GLY HA2 H 4.102 0.020 .
1362 . 141 GLY HA3 H 3.895 0.020 .
1363 . 141 GLY C C 174.025 0.200 .
1364 . 141 GLY CA C 43.283 0.200 .
1365 . 141 GLY N N 107.356 0.200 .
1366 . 142 SER H H 9.369 0.020 .
1367 . 142 SER HA H 4.393 0.020 .
1368 . 142 SER HB2 H 3.889 0.020 .
1369 . 142 SER HB3 H 3.889 0.020 .
1370 . 142 SER C C 173.729 0.200 .
1371 . 142 SER CA C 57.930 0.200 .
1372 . 142 SER CB C 61.775 0.200 .
1373 . 142 SER N N 120.178 0.200 .
1374 . 143 ARG H H 9.059 0.020 .
1375 . 143 ARG HA H 3.419 0.020 .
1376 . 143 ARG HB2 H 0.996 0.020 .
1377 . 143 ARG HB3 H 1.134 0.020 .
1378 . 143 ARG HG2 H 2.051 0.020 .
1379 . 143 ARG HG3 H 1.902 0.020 .
1380 . 143 ARG HD2 H 2.462 0.073 .
1381 . 143 ARG HD3 H 2.988 0.020 .
1382 . 143 ARG C C 172.254 0.200 .
1383 . 143 ARG CA C 52.938 0.200 .
1384 . 143 ARG N N 122.924 0.200 .
1385 . 144 LEU H H 8.408 0.020 .
1386 . 144 LEU HA H 4.302 0.020 .
1387 . 144 LEU HB2 H 1.446 0.020 .
1388 . 144 LEU HB3 H 1.282 0.020 .
1389 . 144 LEU HG H 1.486 0.020 .
1390 . 144 LEU HD1 H 0.846 0.020 .
1391 . 144 LEU HD2 H 0.844 0.020 .
1392 . 144 LEU C C 175.063 0.200 .
1393 . 144 LEU CA C 54.645 0.200 .
1394 . 144 LEU CB C 40.839 0.200 .
1395 . 144 LEU CD1 C 25.998 0.200 .
1396 . 144 LEU CD2 C 19.440 0.200 .
1397 . 144 LEU N N 122.636 0.200 .
1398 . 145 ALA H H 7.278 0.020 .
1399 . 145 ALA HA H 4.227 0.020 .
1400 . 145 ALA HB H 0.867 0.020 .
1401 . 145 ALA C C 172.183 0.200 .
1402 . 145 ALA CA C 49.329 0.200 .
1403 . 145 ALA CB C 18.750 0.200 .
1404 . 145 ALA N N 116.685 0.200 .
1405 . 146 CYS H H 8.809 0.020 .
1406 . 146 CYS HA H 6.127 0.020 .
1407 . 146 CYS HB2 H 2.827 0.020 .
1408 . 146 CYS HB3 H 2.780 0.020 .
1409 . 146 CYS C C 170.870 0.200 .
1410 . 146 CYS CA C 53.418 0.200 .
1411 . 146 CYS CB C 30.666 0.200 .
1412 . 146 CYS N N 114.078 0.200 .
1413 . 147 GLY H H 8.078 0.020 .
1414 . 147 GLY HA2 H 4.503 0.020 .
1415 . 147 GLY HA3 H 4.017 0.020 .
1416 . 147 GLY C C 168.773 0.200 .
1417 . 147 GLY CA C 44.192 0.200 .
1418 . 147 GLY N N 107.325 0.200 .
1419 . 148 VAL H H 8.455 0.020 .
1420 . 148 VAL HA H 4.238 0.020 .
1421 . 148 VAL HB H 1.705 0.020 .
1422 . 148 VAL HG1 H 1.022 0.020 .
1423 . 148 VAL HG2 H 0.822 0.020 .
1424 . 148 VAL C C 172.966 0.200 .
1425 . 148 VAL CA C 60.359 0.200 .
1426 . 148 VAL CB C 29.900 0.200 .
1427 . 148 VAL CG2 C 20.131 0.200 .
1428 . 148 VAL N N 124.751 0.200 .
1429 . 149 ILE H H 8.611 0.020 .
1430 . 149 ILE HA H 4.048 0.020 .
1431 . 149 ILE HB H 1.769 0.020 .
1432 . 149 ILE HG12 H 1.683 0.020 .
1433 . 149 ILE HG13 H 0.691 0.020 .
1434 . 149 ILE HG2 H 0.174 0.020 .
1435 . 149 ILE HD1 H 0.441 0.020 .
1436 . 149 ILE C C 172.606 0.200 .
1437 . 149 ILE CA C 60.101 0.200 .
1438 . 149 ILE CB C 35.072 0.200 .
1439 . 149 ILE CG2 C 16.679 0.200 .
1440 . 149 ILE CD1 C 12.952 0.200 .
1441 . 149 ILE N N 127.986 0.200 .
1442 . 150 GLY H H 9.339 0.020 .
1443 . 150 GLY HA2 H 4.781 0.020 .
1444 . 150 GLY HA3 H 4.773 0.020 .
1445 . 150 GLY C C 170.849 0.200 .
1446 . 150 GLY N N 117.436 0.200 .
1447 . 151 ILE H H 9.022 0.020 .
1448 . 151 ILE HA H 3.962 0.020 .
1449 . 151 ILE HB H 1.667 0.020 .
1450 . 151 ILE HG12 H 1.773 0.020 .
1451 . 151 ILE HG13 H 1.773 0.020 .
1452 . 151 ILE HG2 H 0.943 0.020 .
1453 . 151 ILE HD1 H 1.243 0.020 .
1454 . 151 ILE C C 172.797 0.200 .
1455 . 151 ILE CA C 61.455 0.200 .
1456 . 151 ILE CB C 37.244 0.200 .
1457 . 151 ILE CG1 C 27.747 0.200 .
1458 . 151 ILE CG2 C 11.110 0.200 .
1459 . 151 ILE CD1 C 14.282 0.200 .
1460 . 151 ILE N N 120.809 0.200 .
1461 . 152 ALA H H 8.269 0.020 .
1462 . 152 ALA HA H 4.754 0.020 .
1463 . 152 ALA HB H 1.124 0.020 .
1464 . 152 ALA C C 172.034 0.200 .
1465 . 152 ALA N N 130.250 0.200 .
1466 . 153 GLN H H 7.986 0.020 .
1467 . 153 GLN HA H 3.540 0.020 .
1468 . 153 GLN HB2 H 0.898 0.020 .
1469 . 153 GLN HB3 H 0.898 0.020 .
1470 . 153 GLN HG2 H 1.337 0.020 .
1471 . 153 GLN HG3 H 1.337 0.020 .
1472 . 153 GLN C C 178.663 0.200 .
1473 . 153 GLN CA C 55.857 0.200 .
1474 . 153 GLN CB C 27.033 0.200 .
1475 . 153 GLN CG C 27.379 0.200 .
1476 . 153 GLN N N 123.926 0.200 .
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