data_6845
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR Structural analysis of archaeal Nop10
;
_BMRB_accession_number 6845
_BMRB_flat_file_name bmr6845.str
_Entry_type original
_Submission_date 2005-09-29
_Accession_date 2005-10-20
_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 Hamma T. . .
2 Reichow S. . .
3 Varani G. . .
4 Ferre-D'Amare A. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 428
"13C chemical shifts" 273
"15N chemical shifts" 64
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2005-12-28 original author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
6846 'Nop10 from Saccharomyces cerevisiae'
stop_
_Original_release_date 2005-12-28
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'The Cbf5-Nop10 complex is a molecular bracket that organizes box H/ACA RNPs'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16286935
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Hamma T. . .
2 Reichow S. L. .
3 Varani G. . .
4 Ferre-D'Amare A. R. .
stop_
_Journal_abbreviation 'Nat. Struct. Mol. Biol.'
_Journal_volume 12
_Journal_issue 12
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 1101
_Page_last 1107
_Year 2005
_Details .
loop_
_Keyword
aNop10
Zinc-Ribbon
stop_
save_
##################################
# Molecular system description #
##################################
save_system
_Saveframe_category molecular_system
_Mol_system_name 'Ribosome biogenesis protein Nop10'
_Abbreviation_common 'Ribosome biogenesis protein Nop10'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Ribosome biogenesis protein Nop10' $Nop10
'ZINC (II) ION' $ZN
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all other bound'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Nop10
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Ribosome biogenesis protein Nop10'
_Abbreviation_common 'Ribosome biogenesis protein Nop10'
_Molecular_mass .
_Mol_thiol_state 'all other bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 63
_Mol_residue_sequence
;
GSHMVEMRMKKCPKCGLYTL
KEICPKCGEKTVIPKPPKFS
LEDRWGKYRRMLKRALKNKN
KAE
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -3 GLY 2 -2 SER 3 -1 HIS 4 1 MET 5 2 VAL
6 3 GLU 7 4 MET 8 5 ARG 9 6 MET 10 7 LYS
11 8 LYS 12 9 CYS 13 10 PRO 14 11 LYS 15 12 CYS
16 13 GLY 17 14 LEU 18 15 TYR 19 16 THR 20 17 LEU
21 18 LYS 22 19 GLU 23 20 ILE 24 21 CYS 25 22 PRO
26 23 LYS 27 24 CYS 28 25 GLY 29 26 GLU 30 27 LYS
31 28 THR 32 29 VAL 33 30 ILE 34 31 PRO 35 32 LYS
36 33 PRO 37 34 PRO 38 35 LYS 39 36 PHE 40 37 SER
41 38 LEU 42 39 GLU 43 40 ASP 44 41 ARG 45 42 TRP
46 43 GLY 47 44 LYS 48 45 TYR 49 46 ARG 50 47 ARG
51 48 MET 52 49 LEU 53 50 LYS 54 51 ARG 55 52 ALA
56 53 LEU 57 54 LYS 58 55 ASN 59 56 LYS 60 57 ASN
61 58 LYS 62 59 ALA 63 60 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2AQC "Nmr Structural Analysis Of Archaeal Nop10" 100.00 63 100.00 100.00 1.06e-36
GB AAB98109 "conserved hypothetical protein [Methanocaldococcus jannaschii DSM 2661]" 95.24 60 100.00 100.00 6.84e-34
REF NP_247081 "hypothetical protein MJ_0116.1 [Methanocaldococcus jannaschii DSM 2661]" 95.24 60 100.00 100.00 6.84e-34
REF WP_010869609 "ribosome biogenesis protein Nop10 [Methanocaldococcus jannaschii]" 95.24 60 100.00 100.00 6.84e-34
SP P81303 "RecName: Full=Ribosome biogenesis protein Nop10 [Methanocaldococcus jannaschii DSM 2661]" 95.24 60 100.00 100.00 6.84e-34
stop_
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "ZN (ZINC ION)"
_BMRB_code .
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic .
_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
$Nop10 'Methanocaldococcus jannaschii' 2190 Archaea . Methanocaldococcus jannaschii
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
$Nop10 'recombinant technology' . . . . .
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
$Nop10 1 mM .
'Sodium Acetate' 50 mM .
KCl 100 mM .
DTT 2 mM .
ZnCl2 100 uM .
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
$Nop10 1 mM .
'Sodium Acetate' 50 mM .
KCl 100 mM .
DTT 2 mM .
ZnCl2 100 uM .
D2O 100 % .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Nop10 1 mM [U-15N]
'Sodium Acetate' 50 mM .
KCl 100 mM .
DTT 2 mM .
ZnCl2 100 uM .
H2O 90 % .
D2O 10 % .
stop_
save_
save_sample_4
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Nop10 1 mM '[U-13C; U-15N]'
'Sodium Acetate' 50 mM .
KCl 100 mM .
DTT 2 mM .
ZnCl2 100 uM .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 'v. 2.0'
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 'v. 2.3'
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_Sparky
_Saveframe_category software
_Name SPARKY
_Version 'v. 3.110'
loop_
_Vendor
_Address
_Electronic_address
'Goddard. T.D.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version 'v. 2003.027.13.05'
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, G.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY'
_Sample_label .
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label .
save_
save_3D_13C-separated_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_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_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_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 100 . mM
pH 5.0 . 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
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation
DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.000000000 $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_
_Experiment_label
'2D NOESY'
'3D 15N-separated NOESY'
'3D 13C-separated NOESY'
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'Ribosome biogenesis protein Nop10'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 -2 2 SER N N 115.010 0.000 1
2 -2 2 SER H H 8.650 0.000 1
3 -2 2 SER CA C 58.170 0.080 1
4 -2 2 SER HA H 4.470 0.000 1
5 -2 2 SER CB C 63.840 0.090 1
6 -2 2 SER HB2 H 3.830 0.010 1
7 -2 2 SER HB3 H 3.830 0.010 1
8 -2 2 SER C C 174.390 0.000 1
9 -1 3 HIS N N 120.240 0.040 1
10 -1 3 HIS H H 8.700 0.010 1
11 -1 3 HIS CA C 55.510 0.010 1
12 -1 3 HIS HA H 4.720 0.000 1
13 -1 3 HIS CB C 29.090 0.020 1
14 -1 3 HIS HB2 H 3.270 0.010 2
15 -1 3 HIS HB3 H 3.160 0.010 2
16 -1 3 HIS C C 174.350 0.000 1
17 1 4 MET N N 121.610 0.030 1
18 1 4 MET H H 8.430 0.010 1
19 1 4 MET CA C 55.850 0.090 1
20 1 4 MET HA H 4.440 0.010 1
21 1 4 MET CB C 32.920 0.100 1
22 1 4 MET HB2 H 2.040 0.010 2
23 1 4 MET HB3 H 1.980 0.000 2
24 1 4 MET CG C 32.020 0.000 1
25 1 4 MET HG2 H 2.550 0.010 1
26 1 4 MET HG3 H 2.550 0.010 1
27 1 4 MET HE H 2.100 0.010 1
28 1 4 MET CE C 17.090 0.020 1
29 1 4 MET C C 176.130 0.000 1
30 2 5 VAL N N 121.230 0.020 1
31 2 5 VAL H H 8.180 0.000 1
32 2 5 VAL CA C 62.460 0.050 1
33 2 5 VAL HA H 4.060 0.010 1
34 2 5 VAL CB C 32.690 0.140 1
35 2 5 VAL HB H 2.050 0.010 1
36 2 5 VAL HG1 H 0.930 0.010 1
37 2 5 VAL HG2 H 0.930 0.010 1
38 2 5 VAL CG1 C 20.860 0.100 1
39 2 5 VAL CG2 C 20.760 0.000 1
40 2 5 VAL C C 176.000 0.000 1
41 3 6 GLU N N 124.120 0.060 1
42 3 6 GLU H H 8.460 0.010 1
43 3 6 GLU CA C 56.550 0.030 1
44 3 6 GLU HA H 4.260 0.010 1
45 3 6 GLU CB C 30.330 0.060 1
46 3 6 GLU HB2 H 2.000 0.010 2
47 3 6 GLU HB3 H 1.930 0.010 2
48 3 6 GLU CG C 36.120 0.060 1
49 3 6 GLU HG2 H 2.240 0.010 1
50 3 6 GLU HG3 H 2.240 0.010 1
51 3 6 GLU C C 176.330 0.000 1
52 4 7 MET N N 121.750 0.020 1
53 4 7 MET H H 8.390 0.010 1
54 4 7 MET CA C 55.360 0.070 1
55 4 7 MET HA H 4.490 0.000 1
56 4 7 MET CB C 33.010 0.020 1
57 4 7 MET HB2 H 2.060 0.010 2
58 4 7 MET HB3 H 2.000 0.010 2
59 4 7 MET CG C 32.060 0.060 1
60 4 7 MET HG2 H 2.600 0.010 2
61 4 7 MET HG3 H 2.520 0.010 2
62 4 7 MET HE H 2.070 0.000 1
63 4 7 MET CE C 17.120 0.000 1
64 4 7 MET C C 175.640 0.000 1
65 5 8 ARG N N 121.390 0.030 1
66 5 8 ARG H H 8.270 0.010 1
67 5 8 ARG CA C 55.340 0.050 1
68 5 8 ARG HA H 4.390 0.010 1
69 5 8 ARG CB C 31.110 0.140 1
70 5 8 ARG HB2 H 1.820 0.010 1
71 5 8 ARG HB3 H 1.820 0.010 1
72 5 8 ARG CG C 27.170 0.060 1
73 5 8 ARG HG2 H 1.650 0.010 2
74 5 8 ARG HG3 H 1.610 0.010 2
75 5 8 ARG CD C 43.350 0.030 1
76 5 8 ARG HD2 H 3.210 0.010 2
77 5 8 ARG HD3 H 3.180 0.010 2
78 5 8 ARG NE N 111.970 0.010 1
79 5 8 ARG HE H 7.290 0.010 1
80 5 8 ARG C C 175.420 0.000 1
81 6 9 MET N N 121.370 0.020 1
82 6 9 MET H H 8.190 0.010 1
83 6 9 MET CA C 55.820 0.040 1
84 6 9 MET HA H 4.330 0.010 1
85 6 9 MET CB C 32.450 0.120 1
86 6 9 MET HB2 H 2.020 0.010 1
87 6 9 MET HB3 H 2.020 0.010 1
88 6 9 MET CG C 32.200 0.100 1
89 6 9 MET HG2 H 2.700 0.010 2
90 6 9 MET HG3 H 2.580 0.010 2
91 6 9 MET HE H 1.990 0.010 1
92 6 9 MET CE C 16.610 0.090 1
93 6 9 MET C C 175.330 0.000 1
94 7 10 LYS N N 123.550 0.050 1
95 7 10 LYS H H 8.380 0.010 1
96 7 10 LYS CA C 55.290 0.050 1
97 7 10 LYS HA H 4.700 0.010 1
98 7 10 LYS CB C 34.990 0.070 1
99 7 10 LYS HB2 H 1.780 0.010 2
100 7 10 LYS HB3 H 1.670 0.010 2
101 7 10 LYS CG C 25.890 0.100 1
102 7 10 LYS HG2 H 1.160 0.010 2
103 7 10 LYS HG3 H 1.480 0.010 2
104 7 10 LYS CD C 28.620 0.040 1
105 7 10 LYS HD2 H 1.460 0.010 1
106 7 10 LYS HD3 H 1.460 0.010 1
107 7 10 LYS CE C 42.310 0.040 1
108 7 10 LYS HE2 H 2.790 0.010 2
109 7 10 LYS HE3 H 2.750 0.010 2
110 7 10 LYS C C 174.370 0.000 1
111 8 11 LYS N N 118.330 0.060 1
112 8 11 LYS H H 9.050 0.010 1
113 8 11 LYS CA C 53.710 0.080 1
114 8 11 LYS HA H 5.080 0.010 1
115 8 11 LYS CB C 37.660 0.060 1
116 8 11 LYS HB2 H 1.260 0.010 2
117 8 11 LYS HB3 H 1.060 0.010 2
118 8 11 LYS CG C 24.350 0.040 1
119 8 11 LYS HG2 H 0.760 0.010 2
120 8 11 LYS HG3 H 0.390 0.000 2
121 8 11 LYS CD C 29.730 0.080 1
122 8 11 LYS HD2 H 1.300 0.010 1
123 8 11 LYS HD3 H 1.300 0.010 1
124 8 11 LYS CE C 42.200 0.060 1
125 8 11 LYS HE2 H 2.720 0.010 2
126 8 11 LYS HE3 H 2.640 0.010 2
127 8 11 LYS C C 175.890 0.000 1
128 9 12 CYS N N 129.180 0.050 1
129 9 12 CYS H H 9.040 0.010 1
130 9 12 CYS CA C 56.860 0.090 1
131 9 12 CYS HA H 4.560 0.010 1
132 9 12 CYS CB C 31.650 0.080 1
133 9 12 CYS HB2 H 2.640 0.010 2
134 9 12 CYS HB3 H 3.130 0.010 2
135 10 13 PRO CD C 51.970 0.080 1
136 10 13 PRO CA C 64.040 0.030 1
137 10 13 PRO HA H 4.390 0.010 1
138 10 13 PRO CB C 32.260 0.110 1
139 10 13 PRO HB2 H 2.180 0.010 2
140 10 13 PRO HB3 H 2.080 0.010 2
141 10 13 PRO CG C 26.920 0.080 1
142 10 13 PRO HG2 H 2.180 0.000 2
143 10 13 PRO HG3 H 2.010 0.010 2
144 10 13 PRO HD2 H 4.230 0.010 2
145 10 13 PRO HD3 H 4.130 0.010 2
146 10 13 PRO C C 176.070 0.000 1
147 11 14 LYS N N 123.850 0.040 1
148 11 14 LYS H H 9.120 0.010 1
149 11 14 LYS CA C 58.300 0.050 1
150 11 14 LYS HA H 4.390 0.000 1
151 11 14 LYS CB C 34.000 0.100 1
152 11 14 LYS HB2 H 2.170 0.010 2
153 11 14 LYS HB3 H 1.730 0.010 2
154 11 14 LYS CG C 25.390 0.050 1
155 11 14 LYS HG2 H 1.350 0.010 1
156 11 14 LYS HG3 H 1.350 0.010 1
157 11 14 LYS CD C 29.110 0.000 1
158 11 14 LYS HD2 H 1.700 0.010 1
159 11 14 LYS HD3 H 1.700 0.010 1
160 11 14 LYS CE C 42.120 0.020 1
161 11 14 LYS HE2 H 2.980 0.010 1
162 11 14 LYS HE3 H 2.980 0.010 1
163 11 14 LYS C C 177.430 0.000 1
164 12 15 CYS N N 120.430 0.030 1
165 12 15 CYS H H 9.330 0.010 1
166 12 15 CYS CA C 59.520 0.040 1
167 12 15 CYS HA H 4.760 0.010 1
168 12 15 CYS CB C 31.970 0.070 1
169 12 15 CYS HB2 H 3.080 0.000 2
170 12 15 CYS HB3 H 2.690 0.010 2
171 12 15 CYS C C 177.510 0.000 1
172 13 16 GLY N N 110.720 0.060 1
173 13 16 GLY H H 7.660 0.010 1
174 13 16 GLY CA C 46.170 0.060 1
175 13 16 GLY HA2 H 4.070 0.010 2
176 13 16 GLY HA3 H 3.610 0.010 2
177 14 17 LEU N N 122.100 0.000 1
178 14 17 LEU H H 7.840 0.010 1
179 14 17 LEU CA C 55.880 0.030 1
180 14 17 LEU HA H 4.210 0.010 1
181 14 17 LEU CB C 44.100 0.070 1
182 14 17 LEU HB2 H 1.750 0.010 1
183 14 17 LEU HB3 H 1.750 0.010 1
184 14 17 LEU CG C 26.810 0.140 1
185 14 17 LEU HG H 1.560 0.010 1
186 14 17 LEU HD1 H 0.980 0.000 1
187 14 17 LEU HD2 H 0.980 0.010 1
188 14 17 LEU CD1 C 23.980 0.160 1
189 14 17 LEU CD2 C 26.690 0.080 1
190 14 17 LEU C C 176.280 0.000 1
191 15 18 TYR N N 123.130 0.020 1
192 15 18 TYR H H 8.400 0.000 1
193 15 18 TYR CA C 57.500 0.050 1
194 15 18 TYR HA H 5.470 0.010 1
195 15 18 TYR CB C 38.830 0.040 1
196 15 18 TYR HB2 H 3.000 0.010 2
197 15 18 TYR HB3 H 2.890 0.010 2
198 15 18 TYR HD1 H 7.180 0.010 1
199 15 18 TYR HE1 H 6.760 0.000 1
200 15 18 TYR HE2 H 6.760 0.000 1
201 15 18 TYR HD2 H 7.180 0.010 1
202 15 18 TYR C C 175.960 0.000 1
203 16 19 THR N N 119.310 0.020 1
204 16 19 THR H H 9.040 0.010 1
205 16 19 THR CA C 59.820 0.070 1
206 16 19 THR HA H 4.660 0.010 1
207 16 19 THR CB C 68.660 0.070 1
208 16 19 THR HB H 4.140 0.010 1
209 16 19 THR HG2 H 1.080 0.010 1
210 16 19 THR HG1 H 6.220 0.010 1
211 16 19 THR CG2 C 19.210 0.090 1
212 16 19 THR C C 171.450 0.000 1
213 17 20 LEU N N 125.210 0.030 1
214 17 20 LEU H H 8.500 0.000 1
215 17 20 LEU CA C 55.710 0.100 1
216 17 20 LEU HA H 4.490 0.010 1
217 17 20 LEU CB C 42.790 0.070 1
218 17 20 LEU HB2 H 1.650 0.010 1
219 17 20 LEU HB3 H 1.650 0.010 1
220 17 20 LEU CG C 27.110 0.120 1
221 17 20 LEU HG H 1.750 0.010 1
222 17 20 LEU HD1 H 0.930 0.010 2
223 17 20 LEU HD2 H 0.840 0.000 2
224 17 20 LEU CD1 C 25.410 0.080 1
225 17 20 LEU CD2 C 23.230 0.130 1
226 17 20 LEU C C 179.020 0.000 1
227 18 21 LYS N N 119.810 0.060 1
228 18 21 LYS H H 8.530 0.010 1
229 18 21 LYS CA C 56.150 0.120 1
230 18 21 LYS HA H 4.170 0.010 1
231 18 21 LYS CB C 33.590 0.050 1
232 18 21 LYS HB2 H 1.920 0.010 2
233 18 21 LYS HB3 H 2.020 0.010 2
234 18 21 LYS CG C 25.340 0.080 1
235 18 21 LYS HG2 H 1.530 0.010 2
236 18 21 LYS HG3 H 1.470 0.010 2
237 18 21 LYS CD C 28.750 0.020 1
238 18 21 LYS HD2 H 1.690 0.010 1
239 18 21 LYS HD3 H 1.690 0.010 1
240 18 21 LYS CE C 42.210 0.020 1
241 18 21 LYS HE2 H 3.080 0.000 2
242 18 21 LYS HE3 H 3.050 0.010 2
243 18 21 LYS C C 176.220 0.000 1
244 19 22 GLU N N 117.360 0.070 1
245 19 22 GLU H H 8.560 0.000 1
246 19 22 GLU CA C 57.640 0.080 1
247 19 22 GLU HA H 3.960 0.010 1
248 19 22 GLU CB C 30.310 0.100 1
249 19 22 GLU HB2 H 2.120 0.010 2
250 19 22 GLU HB3 H 2.000 0.010 2
251 19 22 GLU CG C 36.350 0.110 1
252 19 22 GLU HG2 H 2.380 0.010 2
253 19 22 GLU HG3 H 2.310 0.010 2
254 19 22 GLU C C 176.140 0.000 1
255 20 23 ILE N N 117.530 0.010 1
256 20 23 ILE H H 7.180 0.000 1
257 20 23 ILE CA C 57.850 0.100 1
258 20 23 ILE HA H 4.470 0.010 1
259 20 23 ILE CB C 40.070 0.040 1
260 20 23 ILE HB H 1.610 0.010 1
261 20 23 ILE HG2 H 0.700 0.000 1
262 20 23 ILE CG2 C 17.060 0.080 1
263 20 23 ILE CG1 C 26.830 0.090 1
264 20 23 ILE HG12 H 1.070 0.010 2
265 20 23 ILE HG13 H 1.360 0.010 2
266 20 23 ILE HD1 H 0.770 0.010 1
267 20 23 ILE CD1 C 11.820 0.020 1
268 20 23 ILE C C 174.890 0.000 1
269 21 24 CYS N N 129.760 0.020 1
270 21 24 CYS H H 9.390 0.000 1
271 21 24 CYS CA C 57.890 0.060 1
272 21 24 CYS HA H 4.150 0.010 1
273 21 24 CYS CB C 31.810 0.070 1
274 21 24 CYS HB2 H 3.030 0.010 2
275 21 24 CYS HB3 H 2.870 0.010 2
276 22 25 PRO CD C 51.510 0.070 1
277 22 25 PRO CA C 64.050 0.020 1
278 22 25 PRO HA H 4.430 0.010 1
279 22 25 PRO CB C 32.450 0.070 1
280 22 25 PRO HB2 H 2.310 0.000 2
281 22 25 PRO HB3 H 2.060 0.010 2
282 22 25 PRO CG C 27.070 0.090 1
283 22 25 PRO HG2 H 2.080 0.010 2
284 22 25 PRO HG3 H 2.010 0.010 2
285 22 25 PRO HD2 H 4.160 0.010 2
286 22 25 PRO HD3 H 3.930 0.010 2
287 22 25 PRO C C 176.520 0.000 1
288 23 26 LYS N N 121.930 0.030 1
289 23 26 LYS H H 9.230 0.010 1
290 23 26 LYS CA C 58.020 0.050 1
291 23 26 LYS HA H 4.430 0.010 1
292 23 26 LYS CB C 33.760 0.100 1
293 23 26 LYS HB2 H 2.080 0.010 2
294 23 26 LYS HB3 H 1.900 0.010 2
295 23 26 LYS CG C 25.110 0.050 1
296 23 26 LYS HG2 H 1.430 0.010 2
297 23 26 LYS HG3 H 1.380 0.000 2
298 23 26 LYS CD C 29.050 0.020 1
299 23 26 LYS HD2 H 1.740 0.010 1
300 23 26 LYS HD3 H 1.740 0.010 1
301 23 26 LYS CE C 42.080 0.010 1
302 23 26 LYS HE2 H 3.000 0.010 1
303 23 26 LYS HE3 H 3.000 0.010 1
304 23 26 LYS C C 178.360 0.000 1
305 24 27 CYS N N 119.280 0.020 1
306 24 27 CYS H H 9.070 0.010 1
307 24 27 CYS CA C 59.800 0.070 1
308 24 27 CYS HA H 4.700 0.010 1
309 24 27 CYS CB C 33.100 0.070 1
310 24 27 CYS HB2 H 2.970 0.010 2
311 24 27 CYS HB3 H 2.760 0.000 2
312 24 27 CYS C C 177.720 0.000 1
313 25 28 GLY N N 109.190 0.020 1
314 25 28 GLY H H 8.170 0.010 1
315 25 28 GLY CA C 46.060 0.090 1
316 25 28 GLY HA2 H 4.130 0.010 2
317 25 28 GLY HA3 H 3.690 0.010 2
318 26 29 GLU N N 120.490 0.000 1
319 26 29 GLU H H 7.350 0.010 1
320 26 29 GLU CA C 55.310 0.070 1
321 26 29 GLU HA H 4.370 0.010 1
322 26 29 GLU CB C 31.350 0.110 1
323 26 29 GLU HB2 H 2.230 0.010 2
324 26 29 GLU HB3 H 2.050 0.010 2
325 26 29 GLU CG C 36.180 0.110 1
326 26 29 GLU HG2 H 2.230 0.010 2
327 26 29 GLU HG3 H 2.450 0.010 2
328 26 29 GLU C C 175.480 0.000 1
329 27 30 LYS N N 123.380 0.040 1
330 27 30 LYS H H 8.730 0.000 1
331 27 30 LYS CA C 57.280 0.050 1
332 27 30 LYS HA H 4.630 0.010 1
333 27 30 LYS CB C 32.250 0.080 1
334 27 30 LYS HB2 H 1.900 0.010 2
335 27 30 LYS HB3 H 1.810 0.010 2
336 27 30 LYS CG C 25.130 0.070 1
337 27 30 LYS HG2 H 1.660 0.010 2
338 27 30 LYS HG3 H 1.550 0.010 2
339 27 30 LYS CD C 29.110 0.070 1
340 27 30 LYS HD2 H 1.760 0.010 1
341 27 30 LYS HD3 H 1.760 0.010 1
342 27 30 LYS CE C 42.150 0.070 1
343 27 30 LYS HE2 H 3.060 0.010 1
344 27 30 LYS HE3 H 3.060 0.010 1
345 27 30 LYS C C 177.200 0.000 1
346 28 31 THR N N 115.070 0.010 1
347 28 31 THR H H 7.900 0.010 1
348 28 31 THR CA C 60.880 0.100 1
349 28 31 THR HA H 4.360 0.010 1
350 28 31 THR CB C 69.240 0.090 1
351 28 31 THR HB H 4.020 0.000 1
352 28 31 THR HG2 H 0.870 0.010 1
353 28 31 THR CG2 C 21.580 0.070 1
354 28 31 THR C C 175.170 0.000 1
355 29 32 VAL N N 112.910 0.020 1
356 29 32 VAL H H 8.790 0.010 1
357 29 32 VAL CA C 59.210 0.060 1
358 29 32 VAL HA H 4.770 0.010 1
359 29 32 VAL CB C 35.320 0.110 1
360 29 32 VAL HB H 2.180 0.000 1
361 29 32 VAL HG1 H 0.910 0.010 2
362 29 32 VAL HG2 H 0.780 0.010 2
363 29 32 VAL CG1 C 21.230 0.030 1
364 29 32 VAL CG2 C 18.630 0.090 1
365 29 32 VAL C C 175.370 0.000 1
366 30 33 ILE N N 123.330 0.040 1
367 30 33 ILE H H 8.500 0.010 1
368 30 33 ILE CA C 58.750 0.090 1
369 30 33 ILE HA H 4.480 0.010 1
370 30 33 ILE CB C 38.180 0.100 1
371 30 33 ILE HB H 1.870 0.000 1
372 30 33 ILE HG2 H 0.980 0.010 1
373 30 33 ILE CG2 C 17.020 0.070 1
374 30 33 ILE CG1 C 27.860 0.080 1
375 30 33 ILE HG12 H 1.640 0.010 2
376 30 33 ILE HG13 H 1.170 0.010 2
377 30 33 ILE HD1 H 0.890 0.010 1
378 30 33 ILE CD1 C 12.730 0.050 1
379 31 34 PRO CD C 51.390 0.070 1
380 31 34 PRO CA C 62.750 0.080 1
381 31 34 PRO HA H 4.420 0.010 1
382 31 34 PRO CB C 32.390 0.110 1
383 31 34 PRO HB2 H 2.200 0.010 2
384 31 34 PRO HB3 H 2.020 0.010 2
385 31 34 PRO CG C 27.640 0.040 1
386 31 34 PRO HG2 H 2.150 0.010 2
387 31 34 PRO HG3 H 1.830 0.010 2
388 31 34 PRO HD2 H 3.860 0.010 2
389 31 34 PRO HD3 H 4.200 0.010 2
390 31 34 PRO C C 176.220 0.000 1
391 32 35 LYS N N 122.500 0.060 1
392 32 35 LYS H H 8.330 0.010 1
393 32 35 LYS CA C 54.100 0.040 1
394 32 35 LYS HA H 4.590 0.010 1
395 32 35 LYS CB C 32.490 0.170 1
396 32 35 LYS HB2 H 1.790 0.010 2
397 32 35 LYS HB3 H 1.710 0.010 2
398 32 35 LYS CG C 24.780 0.080 1
399 32 35 LYS HG2 H 1.530 0.010 2
400 32 35 LYS HG3 H 1.480 0.010 2
401 32 35 LYS CD C 29.180 0.020 1
402 32 35 LYS HD2 H 1.690 0.010 1
403 32 35 LYS HD3 H 1.690 0.010 1
404 32 35 LYS CE C 42.090 0.010 1
405 32 35 LYS HE2 H 3.010 0.010 1
406 32 35 LYS HE3 H 3.010 0.010 1
407 33 36 PRO CD C 50.530 0.060 1
408 33 36 PRO CA C 61.390 0.060 1
409 33 36 PRO HA H 4.670 0.010 1
410 33 36 PRO CB C 30.880 0.050 1
411 33 36 PRO HB2 H 2.350 0.000 2
412 33 36 PRO HB3 H 1.880 0.010 2
413 33 36 PRO CG C 27.360 0.050 1
414 33 36 PRO HG2 H 2.030 0.010 1
415 33 36 PRO HG3 H 2.030 0.010 1
416 33 36 PRO HD2 H 3.850 0.010 2
417 33 36 PRO HD3 H 3.610 0.000 2
418 34 37 PRO CD C 50.450 0.190 1
419 34 37 PRO CA C 62.740 0.080 1
420 34 37 PRO HA H 4.390 0.010 1
421 34 37 PRO CB C 32.140 0.100 1
422 34 37 PRO HB2 H 2.230 0.000 2
423 34 37 PRO HB3 H 1.770 0.010 2
424 34 37 PRO CG C 27.260 0.130 1
425 34 37 PRO HG2 H 1.980 0.010 1
426 34 37 PRO HG3 H 1.980 0.010 1
427 34 37 PRO HD2 H 3.790 0.000 2
428 34 37 PRO HD3 H 3.610 0.000 2
429 34 37 PRO C C 176.760 0.000 1
430 35 38 LYS N N 120.520 0.060 1
431 35 38 LYS H H 8.290 0.010 1
432 35 38 LYS CA C 56.580 0.040 1
433 35 38 LYS HA H 4.170 0.010 1
434 35 38 LYS CB C 33.100 0.040 1
435 35 38 LYS HB2 H 1.670 0.010 1
436 35 38 LYS HB3 H 1.670 0.010 1
437 35 38 LYS CG C 24.940 0.010 1
438 35 38 LYS HG2 H 1.330 0.010 2
439 35 38 LYS HG3 H 1.240 0.010 2
440 35 38 LYS CD C 29.430 0.030 1
441 35 38 LYS HD2 H 1.590 0.000 1
442 35 38 LYS HD3 H 1.590 0.000 1
443 35 38 LYS CE C 42.020 0.020 1
444 35 38 LYS HE2 H 2.940 0.010 1
445 35 38 LYS HE3 H 2.940 0.010 1
446 35 38 LYS C C 176.980 0.000 1
447 36 39 PHE N N 120.110 0.070 1
448 36 39 PHE H H 8.160 0.010 1
449 36 39 PHE CA C 57.410 0.030 1
450 36 39 PHE HA H 4.660 0.010 1
451 36 39 PHE CB C 39.770 0.040 1
452 36 39 PHE HB2 H 3.130 0.010 2
453 36 39 PHE HB3 H 3.030 0.010 2
454 36 39 PHE HD1 H 7.230 0.010 1
455 36 39 PHE HE1 H 7.320 0.000 1
456 36 39 PHE HE2 H 7.320 0.000 1
457 36 39 PHE HD2 H 7.230 0.010 1
458 36 39 PHE C C 175.540 0.000 1
459 37 40 SER N N 117.130 0.020 1
460 37 40 SER H H 8.260 0.010 1
461 37 40 SER CA C 57.840 0.090 1
462 37 40 SER HA H 4.430 0.000 1
463 37 40 SER CB C 64.130 0.060 1
464 37 40 SER HB2 H 3.870 0.010 2
465 37 40 SER HB3 H 3.790 0.000 2
466 37 40 SER C C 174.470 0.000 1
467 38 41 LEU N N 123.890 0.030 1
468 38 41 LEU H H 8.340 0.000 1
469 38 41 LEU CA C 55.810 0.020 1
470 38 41 LEU HA H 4.260 0.000 1
471 38 41 LEU CB C 42.220 0.040 1
472 38 41 LEU HB2 H 1.640 0.010 2
473 38 41 LEU HB3 H 1.600 0.020 2
474 38 41 LEU CG C 27.070 0.040 1
475 38 41 LEU HG H 1.650 0.000 1
476 38 41 LEU HD1 H 0.940 0.010 2
477 38 41 LEU HD2 H 0.890 0.010 2
478 38 41 LEU CD1 C 25.050 0.030 1
479 38 41 LEU CD2 C 23.570 0.070 1
480 38 41 LEU C C 177.650 0.000 1
481 39 42 GLU N N 119.730 0.020 1
482 39 42 GLU H H 8.300 0.010 1
483 39 42 GLU CA C 57.100 0.080 1
484 39 42 GLU HA H 4.160 0.010 1
485 39 42 GLU CB C 30.160 0.010 1
486 39 42 GLU HB2 H 1.990 0.010 2
487 39 42 GLU HB3 H 1.920 0.010 2
488 39 42 GLU CG C 36.210 0.070 1
489 39 42 GLU HG2 H 2.230 0.010 1
490 39 42 GLU HG3 H 2.230 0.010 1
491 39 42 GLU C C 176.660 0.000 1
492 40 43 ASP N N 120.810 0.080 1
493 40 43 ASP H H 8.230 0.010 1
494 40 43 ASP CA C 54.470 0.330 1
495 40 43 ASP HA H 4.590 0.000 1
496 40 43 ASP CB C 41.120 0.040 1
497 40 43 ASP HB2 H 2.700 0.000 1
498 40 43 ASP HB3 H 2.700 0.000 1
499 40 43 ASP C C 177.020 0.000 1
500 41 44 ARG N N 120.470 0.060 1
501 41 44 ARG H H 8.130 0.000 1
502 41 44 ARG CA C 57.600 0.090 1
503 41 44 ARG HA H 4.060 0.010 1
504 41 44 ARG CB C 30.190 0.030 1
505 41 44 ARG HB2 H 1.540 0.010 2
506 41 44 ARG HB3 H 1.500 0.010 2
507 41 44 ARG CG C 26.490 0.010 1
508 41 44 ARG HG2 H 1.200 0.010 2
509 41 44 ARG HG3 H 1.160 0.010 2
510 41 44 ARG CD C 43.260 0.020 1
511 41 44 ARG HD2 H 2.920 0.010 1
512 41 44 ARG HD3 H 2.920 0.010 1
513 41 44 ARG NE N 111.950 0.020 1
514 41 44 ARG HE H 6.970 0.010 1
515 42 45 TRP N N 118.990 0.050 1
516 42 45 TRP H H 8.130 0.000 1
517 42 45 TRP CA C 57.550 0.030 1
518 42 45 TRP HA H 4.760 0.010 1
519 42 45 TRP CB C 29.510 0.050 1
520 42 45 TRP HB2 H 3.430 0.000 2
521 42 45 TRP HB3 H 3.240 0.000 2
522 42 45 TRP NE1 N 128.300 0.000 1
523 42 45 TRP HD1 H 7.280 0.000 1
524 42 45 TRP HE3 H 7.620 0.010 1
525 42 45 TRP HE1 H 10.130 0.000 1
526 42 45 TRP HZ3 H 7.050 0.040 1
527 42 45 TRP HZ2 H 7.480 0.040 1
528 42 45 TRP HH2 H 7.200 0.000 1
529 42 45 TRP C C 177.390 0.000 1
530 43 46 GLY N N 108.710 0.040 1
531 43 46 GLY H H 8.210 0.010 1
532 43 46 GLY CA C 46.360 0.080 1
533 43 46 GLY HA2 H 3.970 0.010 2
534 43 46 GLY HA3 H 3.870 0.010 2
535 43 46 GLY C C 175.210 0.000 1
536 44 47 LYS N N 120.610 0.120 1
537 44 47 LYS H H 8.210 0.010 1
538 44 47 LYS CA C 57.920 0.040 1
539 44 47 LYS HA H 4.080 0.010 1
540 44 47 LYS CB C 32.660 0.030 1
541 44 47 LYS HB2 H 1.670 0.010 1
542 44 47 LYS HB3 H 1.670 0.010 1
543 44 47 LYS CG C 24.770 0.070 1
544 44 47 LYS HG2 H 1.250 0.010 2
545 44 47 LYS HG3 H 1.190 0.010 2
546 44 47 LYS CD C 29.320 0.080 1
547 44 47 LYS HD2 H 1.590 0.000 1
548 44 47 LYS HD3 H 1.590 0.000 1
549 44 47 LYS CE C 42.100 0.050 1
550 44 47 LYS HE2 H 2.910 0.010 1
551 44 47 LYS HE3 H 2.910 0.010 1
552 44 47 LYS C C 177.370 0.000 1
553 45 48 TYR N N 118.970 0.040 1
554 45 48 TYR H H 8.130 0.000 1
555 45 48 TYR CA C 58.690 0.110 1
556 45 48 TYR HA H 4.500 0.010 1
557 45 48 TYR CB C 38.260 0.090 1
558 45 48 TYR HB2 H 3.150 0.000 2
559 45 48 TYR HB3 H 2.990 0.010 2
560 45 48 TYR HD1 H 7.120 0.010 1
561 45 48 TYR HE1 H 6.820 0.010 1
562 45 48 TYR HE2 H 6.820 0.010 1
563 45 48 TYR HD2 H 7.120 0.010 1
564 45 48 TYR C C 176.510 0.000 1
565 46 49 ARG N N 120.140 0.010 1
566 46 49 ARG H H 8.050 0.010 1
567 46 49 ARG CA C 57.260 0.060 1
568 46 49 ARG HA H 4.100 0.010 1
569 46 49 ARG CB C 30.460 0.030 1
570 46 49 ARG HB2 H 1.790 0.010 1
571 46 49 ARG HB3 H 1.790 0.010 1
572 46 49 ARG CG C 27.330 0.100 1
573 46 49 ARG HG2 H 1.610 0.010 2
574 46 49 ARG HG3 H 1.550 0.010 2
575 46 49 ARG CD C 43.310 0.110 1
576 46 49 ARG HD2 H 3.130 0.010 1
577 46 49 ARG HD3 H 3.130 0.010 1
578 46 49 ARG NE N 111.930 0.080 1
579 46 49 ARG HE H 7.210 0.010 1
580 46 49 ARG C C 177.020 0.000 1
581 47 50 ARG N N 120.010 0.020 1
582 47 50 ARG H H 8.120 0.010 1
583 47 50 ARG CA C 57.410 0.010 1
584 47 50 ARG HA H 4.190 0.010 1
585 47 50 ARG CB C 30.600 0.040 1
586 47 50 ARG HB2 H 1.830 0.010 2
587 47 50 ARG HB3 H 1.790 0.010 2
588 47 50 ARG CG C 27.400 0.110 1
589 47 50 ARG HG2 H 1.680 0.010 1
590 47 50 ARG HG3 H 1.680 0.010 1
591 47 50 ARG CD C 43.410 0.020 1
592 47 50 ARG HD2 H 3.190 0.000 1
593 47 50 ARG HD3 H 3.190 0.000 1
594 47 50 ARG NE N 112.020 0.000 1
595 47 50 ARG HE H 7.210 0.000 1
596 47 50 ARG C C 176.360 0.000 1
597 48 51 MET N N 120.120 0.070 1
598 48 51 MET H H 8.160 0.010 1
599 48 51 MET CA C 56.090 0.030 1
600 48 51 MET HA H 4.360 0.010 1
601 48 51 MET CB C 32.680 0.090 1
602 48 51 MET HB2 H 2.090 0.010 2
603 48 51 MET HB3 H 2.020 0.010 2
604 48 51 MET CG C 32.250 0.050 1
605 48 51 MET HG2 H 2.620 0.020 2
606 48 51 MET HG3 H 2.530 0.010 2
607 48 51 MET HE H 2.090 0.010 1
608 48 51 MET CE C 17.100 0.020 1
609 48 51 MET C C 176.740 0.000 1
610 49 52 LEU N N 122.420 0.020 1
611 49 52 LEU H H 8.070 0.010 1
612 49 52 LEU CA C 55.790 0.060 1
613 49 52 LEU HA H 4.240 0.010 1
614 49 52 LEU CB C 42.350 0.050 1
615 49 52 LEU HB2 H 1.620 0.010 2
616 49 52 LEU HB3 H 1.540 0.010 2
617 49 52 LEU CG C 26.890 0.010 1
618 49 52 LEU HG H 1.570 0.010 1
619 49 52 LEU HD1 H 0.870 0.010 2
620 49 52 LEU HD2 H 0.830 0.010 2
621 49 52 LEU CD1 C 24.880 0.090 1
622 49 52 LEU CD2 C 23.420 0.110 1
623 49 52 LEU C C 177.810 0.000 1
624 50 53 LYS N N 120.890 0.180 1
625 50 53 LYS H H 8.120 0.000 1
626 50 53 LYS CA C 56.750 0.010 1
627 50 53 LYS HA H 4.280 0.010 1
628 50 53 LYS CB C 32.950 0.050 1
629 50 53 LYS HB2 H 1.840 0.010 2
630 50 53 LYS HB3 H 1.770 0.010 2
631 50 53 LYS CG C 24.740 0.020 1
632 50 53 LYS HG2 H 1.430 0.010 1
633 50 53 LYS HG3 H 1.430 0.010 1
634 50 53 LYS CD C 29.350 0.040 1
635 50 53 LYS HD2 H 1.690 0.000 1
636 50 53 LYS HD3 H 1.690 0.000 1
637 50 53 LYS CE C 41.970 0.010 1
638 50 53 LYS HE2 H 3.000 0.000 1
639 50 53 LYS HE3 H 3.000 0.000 1
640 50 53 LYS C C 176.980 0.000 1
641 51 54 ARG N N 121.030 0.050 1
642 51 54 ARG H H 8.140 0.010 1
643 51 54 ARG CA C 56.540 0.010 1
644 51 54 ARG HA H 4.260 0.010 1
645 51 54 ARG CB C 30.880 0.030 1
646 51 54 ARG HB2 H 1.840 0.010 2
647 51 54 ARG HB3 H 1.780 0.010 2
648 51 54 ARG CG C 27.420 0.130 1
649 51 54 ARG HG2 H 1.680 0.010 1
650 51 54 ARG HG3 H 1.680 0.010 1
651 51 54 ARG CD C 43.410 0.110 1
652 51 54 ARG HD2 H 3.190 0.010 1
653 51 54 ARG HD3 H 3.190 0.010 1
654 51 54 ARG C C 176.210 0.000 1
655 52 55 ALA N N 124.190 0.030 1
656 52 55 ALA H H 8.220 0.010 1
657 52 55 ALA CA C 52.530 0.080 1
658 52 55 ALA HA H 4.300 0.010 1
659 52 55 ALA HB H 1.390 0.010 1
660 52 55 ALA CB C 19.310 0.170 1
661 52 55 ALA C C 177.690 0.000 1
662 53 56 LEU N N 120.800 0.120 1
663 53 56 LEU H H 8.130 0.000 1
664 53 56 LEU CA C 55.330 0.030 1
665 53 56 LEU HA H 4.300 0.010 1
666 53 56 LEU CB C 42.420 0.050 1
667 53 56 LEU HB2 H 1.650 0.010 2
668 53 56 LEU HB3 H 1.590 0.010 2
669 53 56 LEU CG C 27.270 0.070 1
670 53 56 LEU HG H 1.670 0.000 1
671 53 56 LEU HD1 H 0.930 0.010 2
672 53 56 LEU HD2 H 0.880 0.010 2
673 53 56 LEU CD1 C 25.210 0.040 1
674 53 56 LEU CD2 C 23.380 0.010 1
675 53 56 LEU C C 177.620 0.000 1
676 54 57 LYS N N 120.890 0.110 1
677 54 57 LYS H H 8.210 0.010 1
678 54 57 LYS CA C 56.520 0.010 1
679 54 57 LYS HA H 4.280 0.010 1
680 54 57 LYS CB C 32.930 0.050 1
681 54 57 LYS HB2 H 1.830 0.010 2
682 54 57 LYS HB3 H 1.760 0.010 2
683 54 57 LYS CG C 24.930 0.040 1
684 54 57 LYS HG2 H 1.420 0.010 1
685 54 57 LYS HG3 H 1.420 0.010 1
686 54 57 LYS CD C 28.950 0.020 1
687 54 57 LYS HD2 H 1.690 0.000 1
688 54 57 LYS HD3 H 1.690 0.000 1
689 54 57 LYS CE C 42.220 0.020 1
690 54 57 LYS HE2 H 3.000 0.000 1
691 54 57 LYS HE3 H 3.000 0.000 1
692 54 57 LYS C C 176.410 0.000 1
693 55 58 ASN N N 119.090 0.080 1
694 55 58 ASN H H 8.350 0.010 1
695 55 58 ASN CA C 53.200 0.040 1
696 55 58 ASN HA H 4.670 0.010 1
697 55 58 ASN CB C 38.960 0.020 1
698 55 58 ASN HB2 H 2.840 0.010 2
699 55 58 ASN HB3 H 2.770 0.010 2
700 55 58 ASN ND2 N 112.380 0.020 1
701 55 58 ASN HD21 H 7.610 0.010 2
702 55 58 ASN HD22 H 6.940 0.000 2
703 55 58 ASN C C 175.280 0.000 1
704 56 59 LYS N N 121.200 0.040 1
705 56 59 LYS H H 8.310 0.010 1
706 56 59 LYS CA C 56.640 0.070 1
707 56 59 LYS HA H 4.260 0.000 1
708 56 59 LYS CB C 32.850 0.080 1
709 56 59 LYS HB2 H 1.840 0.010 2
710 56 59 LYS HB3 H 1.770 0.010 2
711 56 59 LYS CG C 24.930 0.020 1
712 56 59 LYS HG2 H 1.430 0.010 1
713 56 59 LYS HG3 H 1.430 0.010 1
714 56 59 LYS CD C 29.070 0.110 1
715 56 59 LYS HD2 H 1.690 0.000 1
716 56 59 LYS HD3 H 1.690 0.000 1
717 56 59 LYS CE C 42.280 0.010 1
718 56 59 LYS HE2 H 3.000 0.010 1
719 56 59 LYS HE3 H 3.000 0.010 1
720 56 59 LYS C C 176.370 0.000 1
721 57 60 ASN N N 118.830 0.060 1
722 57 60 ASN H H 8.430 0.010 1
723 57 60 ASN CA C 53.350 0.050 1
724 57 60 ASN HA H 4.660 0.010 1
725 57 60 ASN CB C 38.940 0.030 1
726 57 60 ASN HB2 H 2.850 0.010 2
727 57 60 ASN HB3 H 2.760 0.010 2
728 57 60 ASN ND2 N 112.400 0.040 1
729 57 60 ASN HD21 H 7.620 0.010 2
730 57 60 ASN HD22 H 6.940 0.010 2
731 57 60 ASN C C 174.980 0.000 1
732 58 61 LYS N N 120.950 0.060 1
733 58 61 LYS H H 8.160 0.010 1
734 58 61 LYS CA C 56.370 0.110 1
735 58 61 LYS HA H 4.270 0.010 1
736 58 61 LYS CB C 33.200 0.050 1
737 58 61 LYS HB2 H 1.840 0.000 2
738 58 61 LYS HB3 H 1.770 0.000 2
739 58 61 LYS CG C 24.790 0.130 1
740 58 61 LYS HG2 H 1.420 0.010 1
741 58 61 LYS HG3 H 1.420 0.010 1
742 58 61 LYS CD C 28.980 0.010 1
743 58 61 LYS HD2 H 1.690 0.010 1
744 58 61 LYS HD3 H 1.690 0.010 1
745 58 61 LYS CE C 42.010 0.040 1
746 58 61 LYS HE2 H 3.000 0.010 1
747 58 61 LYS HE3 H 3.000 0.010 1
748 58 61 LYS C C 175.820 0.000 1
749 59 62 ALA N N 125.540 0.010 1
750 59 62 ALA H H 8.350 0.000 1
751 59 62 ALA CA C 52.490 0.110 1
752 59 62 ALA HA H 4.340 0.010 1
753 59 62 ALA HB H 1.390 0.010 1
754 59 62 ALA CB C 19.280 0.110 1
755 59 62 ALA C C 176.650 0.000 1
756 60 63 GLU N N 124.550 0.010 1
757 60 63 GLU H H 7.890 0.010 1
758 60 63 GLU CA C 57.770 0.000 1
759 60 63 GLU HA H 4.130 0.010 1
760 60 63 GLU CB C 31.140 0.060 1
761 60 63 GLU HB2 H 2.060 0.000 2
762 60 63 GLU HB3 H 1.890 0.010 2
763 60 63 GLU CG C 36.230 0.010 1
764 60 63 GLU HG2 H 2.220 0.000 1
765 60 63 GLU HG3 H 2.220 0.000 1
stop_
save_