data_16564
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR Structure of Agrobacterium tumefaciens protein Atu1219: Northeast Structural Genomics Consortium target AtT14
;
_BMRB_accession_number 16564
_BMRB_flat_file_name bmr16564.str
_Entry_type original
_Submission_date 2009-10-18
_Accession_date 2009-10-18
_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 Cort John R. .
2 Yee Adelinda . .
3 Arrowsmith Cheryl H. .
4 Kennedy Michael A. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 528
"13C chemical shifts" 421
"15N chemical shifts" 107
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-08-03 original author .
stop_
_Original_release_date 2012-08-03
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR Structure of Agrobacterium tumefaciens protein Atu1219'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Cort John R. .
2 Yee Adelinda . .
3 Arrowsmith Cheryl H. .
4 Kennedy Michael A. .
stop_
_Journal_abbreviation 'Not known'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name Atu1219
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Atu1219 $Atu1219
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Atu1219
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Atu1219
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 100
_Mol_residue_sequence
;
MEVQSMLLNDVKWEKPVTIS
LQNGAPRIFNGVYEAFDFLQ
HEWPARGDRAHEQALRLCRA
SLMGDVAGEIARTAFVAASR
QAHCLMEDKAEAPNTIASGS
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLU 3 VAL 4 GLN 5 SER
6 MET 7 LEU 8 LEU 9 ASN 10 ASP
11 VAL 12 LYS 13 TRP 14 GLU 15 LYS
16 PRO 17 VAL 18 THR 19 ILE 20 SER
21 LEU 22 GLN 23 ASN 24 GLY 25 ALA
26 PRO 27 ARG 28 ILE 29 PHE 30 ASN
31 GLY 32 VAL 33 TYR 34 GLU 35 ALA
36 PHE 37 ASP 38 PHE 39 LEU 40 GLN
41 HIS 42 GLU 43 TRP 44 PRO 45 ALA
46 ARG 47 GLY 48 ASP 49 ARG 50 ALA
51 HIS 52 GLU 53 GLN 54 ALA 55 LEU
56 ARG 57 LEU 58 CYS 59 ARG 60 ALA
61 SER 62 LEU 63 MET 64 GLY 65 ASP
66 VAL 67 ALA 68 GLY 69 GLU 70 ILE
71 ALA 72 ARG 73 THR 74 ALA 75 PHE
76 VAL 77 ALA 78 ALA 79 SER 80 ARG
81 GLN 82 ALA 83 HIS 84 CYS 85 LEU
86 MET 87 GLU 88 ASP 89 LYS 90 ALA
91 GLU 92 ALA 93 PRO 94 ASN 95 THR
96 ILE 97 ALA 98 SER 99 GLY 100 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-04-25
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 2KPQ "Nmr Structure Of Agrobacterium Tumefaciens Protein Atu1219: Northeast Structural Genomics Consortium Target Att14" 100.00 100 100.00 100.00 1.68e-67
GB AAK87021 "conserved hypothetical protein [Agrobacterium fabrum str. C58]" 98.00 98 100.00 100.00 6.11e-66
GB EGL64935 "hypothetical protein AGRO_2481 [Agrobacterium sp. ATCC 31749]" 93.00 93 98.92 98.92 2.54e-61
GB KEY55612 "hypothetical protein EN41_17790 [Agrobacterium tumefaciens]" 93.00 93 100.00 100.00 4.15e-62
GB KJX88779 "hypothetical protein SY94_1123 [Agrobacterium tumefaciens]" 98.00 98 100.00 100.00 6.11e-66
REF NP_354236 "conserved hypothetical protein [Agrobacterium fabrum str. C58]" 98.00 98 100.00 100.00 6.11e-66
REF WP_006312770 "hypothetical protein [Agrobacterium sp. ATCC 31749]" 93.00 93 98.92 98.92 2.54e-61
REF WP_010971479 "hypothetical protein [Agrobacterium fabrum]" 98.00 98 100.00 100.00 6.11e-66
REF WP_035256530 "hypothetical protein [Agrobacterium tumefaciens]" 93.00 93 100.00 100.00 4.15e-62
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
_Gene_mnemonic
$Atu1219 'Agrobacterium tumefaciens' 358 Eubacteria . Agrobacterium tumefaciens 'C58 / ATCC33970' Atu1219
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
$Atu1219 'recombinant technology' . Escherichia coli . pET11
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
$Atu1219 0.9 mM '[U-100% 13C; U-100% 15N]'
'sodium chloride' 450 mM 'natural abundance'
MES 20 mM 'natural abundance'
DTT 5 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Atu1219 0.9 mM '[U-100% 13C; U-100% 15N]'
'sodium chloride' 450 mM 'natural abundance'
MES 20 mM 'natural abundance'
DTT 5 mM 'natural abundance'
D2O 100 % 'natural abundance'
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Atu1219 0.9 mM '[U-100% 15N], 7% 13C biosynthetically directed labeling'
'sodium chloride' 450 mM 'natural abundance'
MES 20 mM 'natural abundance'
DTT 5 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_X-PLOR_NIH
_Saveframe_category software
_Name 'X-PLOR NIH'
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Schwieters, Kuszewski, Tjandra and Clore' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_AutoStructure
_Saveframe_category software
_Name AutoStruct
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Huang, Tejero, Powers and Montelione' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_PSVS
_Saveframe_category software
_Name PSVS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bhattacharya and Montelione' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_Felix
_Saveframe_category software
_Name FELIX
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Accelrys Software Inc.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 750
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model UnityPlus
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_3
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_C(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_HNCO_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_4D_1H-13C-13C-1H_HMQC-NOESY-HMQC_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 1H-13C-13C-1H HMQC-NOESY-HMQC'
_Sample_label $sample_2
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.45 . M
pH 6.5 . pH
pressure 1 . atm
temperature 293 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$SPARKY
$NMRPipe
$Felix
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
stop_
loop_
_Sample_label
$sample_1
$sample_3
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name Atu1219
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 MET HA H 4.37 0.02 1
2 1 1 MET HB2 H 1.90 0.02 2
3 1 1 MET HB3 H 1.99 0.02 2
4 1 1 MET C C 175.9 0.2 1
5 1 1 MET CA C 55.6 0.2 1
6 1 1 MET CB C 32.6 0.2 1
7 2 2 GLU H H 8.44 0.02 1
8 2 2 GLU HA H 4.28 0.02 1
9 2 2 GLU HB2 H 1.93 0.02 2
10 2 2 GLU HB3 H 2.02 0.02 2
11 2 2 GLU C C 176.7 0.2 1
12 2 2 GLU CA C 56.8 0.2 1
13 2 2 GLU CB C 30.1 0.2 1
14 2 2 GLU N N 122.6 0.2 1
15 3 3 VAL H H 8.21 0.02 1
16 3 3 VAL HA H 4.52 0.02 1
17 3 3 VAL HB H 2.06 0.02 1
18 3 3 VAL HG1 H 0.90 0.02 1
19 3 3 VAL HG2 H 0.93 0.02 1
20 3 3 VAL C C 176.4 0.2 1
21 3 3 VAL CA C 62.9 0.2 1
22 3 3 VAL CB C 32.7 0.2 1
23 3 3 VAL CG1 C 21.3 0.2 1
24 3 3 VAL CG2 C 20.9 0.2 1
25 3 3 VAL N N 121.5 0.2 1
26 4 4 GLN H H 8.48 0.02 1
27 4 4 GLN HA H 4.27 0.02 1
28 4 4 GLN HB2 H 1.99 0.02 2
29 4 4 GLN HB3 H 2.08 0.02 2
30 4 4 GLN HE21 H 6.86 0.02 2
31 4 4 GLN HE22 H 7.50 0.02 2
32 4 4 GLN HG2 H 2.33 0.02 2
33 4 4 GLN HG3 H 2.36 0.02 2
34 4 4 GLN C C 176.3 0.2 1
35 4 4 GLN CA C 56.4 0.2 1
36 4 4 GLN CB C 29.1 0.2 1
37 4 4 GLN CD C 180.2 0.2 1
38 4 4 GLN CG C 33.7 0.2 1
39 4 4 GLN N N 123.2 0.2 1
40 4 4 GLN NE2 N 112.5 0.2 1
41 5 5 SER H H 8.23 0.02 1
42 5 5 SER HA H 4.34 0.02 1
43 5 5 SER HB2 H 3.82 0.02 2
44 5 5 SER HB3 H 3.87 0.02 2
45 5 5 SER C C 174.7 0.2 1
46 5 5 SER CA C 58.9 0.2 1
47 5 5 SER CB C 63.5 0.2 1
48 5 5 SER N N 116.5 0.2 1
49 6 6 MET H H 8.24 0.02 1
50 6 6 MET HA H 4.40 0.02 1
51 6 6 MET HB2 H 1.99 0.02 2
52 6 6 MET HB3 H 2.04 0.02 2
53 6 6 MET C C 175.9 0.2 1
54 6 6 MET CA C 56.1 0.2 1
55 6 6 MET CB C 32.9 0.2 1
56 6 6 MET CG C 32.2 0.2 1
57 6 6 MET N N 121.8 0.2 1
58 7 7 LEU H H 7.86 0.02 1
59 7 7 LEU HA H 4.13 0.02 1
60 7 7 LEU HB2 H 1.50 0.02 2
61 7 7 LEU HB3 H 1.54 0.02 2
62 7 7 LEU HD1 H 0.82 0.02 1
63 7 7 LEU HD2 H 0.74 0.02 1
64 7 7 LEU HG H 1.50 0.02 1
65 7 7 LEU C C 177.1 0.2 1
66 7 7 LEU CA C 55.9 0.2 1
67 7 7 LEU CB C 42.0 0.2 1
68 7 7 LEU CD1 C 24.8 0.2 1
69 7 7 LEU CD2 C 23.8 0.2 1
70 7 7 LEU CG C 26.9 0.2 1
71 7 7 LEU N N 121.6 0.2 1
72 8 8 LEU H H 7.92 0.02 1
73 8 8 LEU HA H 4.32 0.02 1
74 8 8 LEU HB2 H 1.41 0.02 2
75 8 8 LEU HB3 H 1.65 0.02 2
76 8 8 LEU HD1 H 0.84 0.02 1
77 8 8 LEU HD2 H 0.76 0.02 1
78 8 8 LEU HG H 1.54 0.02 1
79 8 8 LEU C C 176.5 0.2 1
80 8 8 LEU CA C 54.7 0.2 1
81 8 8 LEU CB C 42.5 0.2 1
82 8 8 LEU CD1 C 25.2 0.2 1
83 8 8 LEU CD2 C 23.1 0.2 1
84 8 8 LEU CG C 27.0 0.2 1
85 8 8 LEU N N 120.5 0.2 1
86 9 9 ASN H H 8.24 0.02 1
87 9 9 ASN HA H 4.66 0.02 1
88 9 9 ASN HB2 H 2.66 0.02 2
89 9 9 ASN HB3 H 2.75 0.02 2
90 9 9 ASN HD21 H 6.84 0.02 2
91 9 9 ASN HD22 H 7.53 0.02 2
92 9 9 ASN C C 173.9 0.2 1
93 9 9 ASN CA C 53.2 0.2 1
94 9 9 ASN CB C 39.6 0.2 1
95 9 9 ASN CG C 177.0 0.2 1
96 9 9 ASN N N 118.9 0.2 1
97 9 9 ASN ND2 N 113.4 0.2 1
98 10 10 ASP H H 7.91 0.02 1
99 10 10 ASP HA H 4.49 0.02 1
100 10 10 ASP HB2 H 2.41 0.02 2
101 10 10 ASP HB3 H 2.57 0.02 2
102 10 10 ASP C C 175.3 0.2 1
103 10 10 ASP CA C 53.6 0.2 1
104 10 10 ASP CB C 41.9 0.2 1
105 10 10 ASP N N 117.8 0.2 1
106 11 11 VAL H H 8.29 0.02 1
107 11 11 VAL HA H 4.00 0.02 1
108 11 11 VAL HB H 1.73 0.02 1
109 11 11 VAL HG1 H 0.91 0.02 1
110 11 11 VAL HG2 H 0.89 0.02 1
111 11 11 VAL C C 174.3 0.2 1
112 11 11 VAL CA C 62.0 0.2 1
113 11 11 VAL CB C 34.1 0.2 1
114 11 11 VAL CG1 C 21.6 0.2 1
115 11 11 VAL CG2 C 20.8 0.2 1
116 11 11 VAL N N 123.6 0.2 1
117 12 12 LYS H H 8.47 0.02 1
118 12 12 LYS HA H 4.32 0.02 1
119 12 12 LYS HB2 H 1.74 0.02 2
120 12 12 LYS HB3 H 1.77 0.02 2
121 12 12 LYS HD2 H 1.52 0.02 2
122 12 12 LYS HD3 H 1.54 0.02 2
123 12 12 LYS HE2 H 2.89 0.02 2
124 12 12 LYS HE3 H 2.94 0.02 2
125 12 12 LYS HG2 H 1.37 0.02 2
126 12 12 LYS HG3 H 1.43 0.02 2
127 12 12 LYS C C 177.1 0.2 1
128 12 12 LYS CA C 55.5 0.2 1
129 12 12 LYS CB C 33.3 0.2 1
130 12 12 LYS CD C 28.4 0.2 1
131 12 12 LYS CE C 42.1 0.2 1
132 12 12 LYS CG C 24.7 0.2 1
133 12 12 LYS N N 125.5 0.2 1
134 13 13 TRP H H 8.44 0.02 1
135 13 13 TRP HA H 5.11 0.02 1
136 13 13 TRP HB2 H 2.87 0.02 2
137 13 13 TRP HB3 H 3.12 0.02 2
138 13 13 TRP HD1 H 7.01 0.02 1
139 13 13 TRP HE1 H 8.61 0.02 1
140 13 13 TRP HE3 H 7.41 0.02 1
141 13 13 TRP HH2 H 6.28 0.02 1
142 13 13 TRP HZ2 H 6.73 0.02 1
143 13 13 TRP HZ3 H 6.68 0.02 1
144 13 13 TRP C C 176.3 0.2 1
145 13 13 TRP CA C 53.8 0.2 1
146 13 13 TRP CB C 30.1 0.2 1
147 13 13 TRP CD1 C 123.6 0.2 1
148 13 13 TRP CE3 C 120.9 0.2 1
149 13 13 TRP CH2 C 124.8 0.2 1
150 13 13 TRP CZ2 C 112.1 0.2 1
151 13 13 TRP CZ3 C 121.8 0.2 1
152 13 13 TRP N N 124.5 0.2 1
153 13 13 TRP NE1 N 127.5 0.2 1
154 14 14 GLU H H 9.16 0.02 1
155 14 14 GLU HA H 4.06 0.02 1
156 14 14 GLU HB2 H 2.09 0.02 2
157 14 14 GLU HB3 H 2.12 0.02 2
158 14 14 GLU HG2 H 2.28 0.02 2
159 14 14 GLU HG3 H 2.40 0.02 2
160 14 14 GLU C C 176.8 0.2 1
161 14 14 GLU CA C 58.9 0.2 1
162 14 14 GLU CB C 29.6 0.2 1
163 14 14 GLU CG C 36.6 0.2 1
164 14 14 GLU N N 124.0 0.2 1
165 15 15 LYS H H 8.25 0.02 1
166 15 15 LYS HA H 4.93 0.02 1
167 15 15 LYS HB2 H 1.60 0.02 2
168 15 15 LYS HB3 H 1.74 0.02 2
169 15 15 LYS HD2 H 1.62 0.02 2
170 15 15 LYS HD3 H 1.65 0.02 2
171 15 15 LYS HE2 H 2.93 0.02 2
172 15 15 LYS HE3 H 2.95 0.02 2
173 15 15 LYS HG2 H 1.39 0.02 2
174 15 15 LYS HG3 H 1.41 0.02 2
175 15 15 LYS CA C 52.1 0.2 1
176 15 15 LYS CB C 33.6 0.2 1
177 15 15 LYS CD C 29.2 0.2 1
178 15 15 LYS CG C 24.7 0.2 1
179 15 15 LYS N N 118.0 0.2 1
180 16 16 PRO HA H 5.06 0.02 1
181 16 16 PRO HB2 H 1.79 0.02 2
182 16 16 PRO HB3 H 2.38 0.02 2
183 16 16 PRO HD2 H 3.72 0.02 2
184 16 16 PRO HD3 H 3.89 0.02 2
185 16 16 PRO HG2 H 1.92 0.02 2
186 16 16 PRO HG3 H 2.07 0.02 2
187 16 16 PRO C C 177.3 0.2 1
188 16 16 PRO CA C 62.7 0.2 1
189 16 16 PRO CB C 33.4 0.2 1
190 16 16 PRO CD C 51.0 0.2 1
191 16 16 PRO CG C 26.8 0.2 1
192 17 17 VAL H H 8.87 0.02 1
193 17 17 VAL HA H 4.32 0.02 1
194 17 17 VAL HB H 2.22 0.02 1
195 17 17 VAL HG1 H 0.95 0.02 1
196 17 17 VAL HG2 H 0.75 0.02 1
197 17 17 VAL C C 174.6 0.2 1
198 17 17 VAL CA C 62.1 0.2 1
199 17 17 VAL CB C 35.5 0.2 1
200 17 17 VAL CG1 C 21.9 0.2 1
201 17 17 VAL CG2 C 23.4 0.2 1
202 17 17 VAL N N 121.1 0.2 1
203 18 18 THR H H 8.96 0.02 1
204 18 18 THR HA H 5.26 0.02 1
205 18 18 THR HB H 3.99 0.02 1
206 18 18 THR HG2 H 1.13 0.02 1
207 18 18 THR C C 173.1 0.2 1
208 18 18 THR CA C 62.1 0.2 1
209 18 18 THR CB C 69.1 0.2 1
210 18 18 THR CG2 C 22.3 0.2 1
211 18 18 THR N N 124.6 0.2 1
212 19 19 ILE H H 9.14 0.02 1
213 19 19 ILE HA H 5.07 0.02 1
214 19 19 ILE HB H 1.97 0.02 1
215 19 19 ILE HD1 H 0.65 0.02 1
216 19 19 ILE HG12 H 1.24 0.02 2
217 19 19 ILE HG13 H 1.29 0.02 2
218 19 19 ILE HG2 H 0.85 0.02 1
219 19 19 ILE C C 174.6 0.2 1
220 19 19 ILE CA C 57.7 0.2 1
221 19 19 ILE CB C 41.1 0.2 1
222 19 19 ILE CD1 C 13.8 0.2 1
223 19 19 ILE CG1 C 27.9 0.2 1
224 19 19 ILE CG2 C 17.7 0.2 1
225 19 19 ILE N N 125.3 0.2 1
226 20 20 SER H H 8.79 0.02 1
227 20 20 SER HA H 4.64 0.02 1
228 20 20 SER HB2 H 3.61 0.02 2
229 20 20 SER HB3 H 3.64 0.02 2
230 20 20 SER C C 174.4 0.2 1
231 20 20 SER CA C 56.6 0.2 1
232 20 20 SER CB C 64.6 0.2 1
233 20 20 SER N N 117.1 0.2 1
234 21 21 LEU H H 8.71 0.02 1
235 21 21 LEU HA H 4.56 0.02 1
236 21 21 LEU HB2 H 1.68 0.02 2
237 21 21 LEU HB3 H 1.96 0.02 2
238 21 21 LEU HD1 H 0.98 0.02 1
239 21 21 LEU HD2 H 0.98 0.02 1
240 21 21 LEU HG H 1.70 0.02 1
241 21 21 LEU C C 178.7 0.2 1
242 21 21 LEU CA C 53.9 0.2 1
243 21 21 LEU CB C 42.3 0.2 1
244 21 21 LEU CD1 C 25.6 0.2 1
245 21 21 LEU CD2 C 22.9 0.2 1
246 21 21 LEU CG C 27.3 0.2 1
247 21 21 LEU N N 124.6 0.2 1
248 22 22 GLN H H 8.88 0.02 1
249 22 22 GLN HA H 4.02 0.02 1
250 22 22 GLN HB2 H 2.05 0.02 2
251 22 22 GLN HB3 H 2.08 0.02 2
252 22 22 GLN HE21 H 6.88 0.02 2
253 22 22 GLN HE22 H 7.59 0.02 2
254 22 22 GLN HG2 H 2.37 0.02 2
255 22 22 GLN HG3 H 2.40 0.02 2
256 22 22 GLN C C 176.5 0.2 1
257 22 22 GLN CA C 58.5 0.2 1
258 22 22 GLN CB C 28.3 0.2 1
259 22 22 GLN CD C 180.4 0.2 1
260 22 22 GLN CG C 33.9 0.2 1
261 22 22 GLN N N 121.0 0.2 1
262 22 22 GLN NE2 N 112.7 0.2 1
263 23 23 ASN H H 8.12 0.02 1
264 23 23 ASN HA H 4.59 0.02 1
265 23 23 ASN HB2 H 2.81 0.02 2
266 23 23 ASN HB3 H 3.04 0.02 2
267 23 23 ASN HD21 H 6.81 0.02 2
268 23 23 ASN HD22 H 7.51 0.02 2
269 23 23 ASN C C 175.7 0.2 1
270 23 23 ASN CA C 53.0 0.2 1
271 23 23 ASN CB C 38.0 0.2 1
272 23 23 ASN CG C 177.1 0.2 1
273 23 23 ASN N N 115.1 0.2 1
274 23 23 ASN ND2 N 110.9 0.2 1
275 24 24 GLY H H 8.08 0.02 1
276 24 24 GLY HA2 H 3.79 0.02 2
277 24 24 GLY HA3 H 4.10 0.02 2
278 24 24 GLY C C 173.2 0.2 1
279 24 24 GLY CA C 44.8 0.2 1
280 24 24 GLY N N 108.2 0.2 1
281 25 25 ALA H H 7.89 0.02 1
282 25 25 ALA HA H 4.57 0.02 1
283 25 25 ALA HB H 1.37 0.02 1
284 25 25 ALA CA C 50.3 0.2 1
285 25 25 ALA CB C 18.4 0.2 1
286 25 25 ALA N N 124.8 0.2 1
287 26 26 PRO HA H 4.96 0.02 1
288 26 26 PRO HB2 H 1.66 0.02 2
289 26 26 PRO HB3 H 2.10 0.02 2
290 26 26 PRO HD2 H 3.63 0.02 2
291 26 26 PRO HD3 H 3.81 0.02 2
292 26 26 PRO HG2 H 1.96 0.02 2
293 26 26 PRO HG3 H 2.04 0.02 2
294 26 26 PRO C C 177.2 0.2 1
295 26 26 PRO CA C 62.3 0.2 1
296 26 26 PRO CB C 32.7 0.2 1
297 26 26 PRO CD C 50.1 0.2 1
298 26 26 PRO CG C 27.5 0.2 1
299 27 27 ARG H H 9.12 0.02 1
300 27 27 ARG HA H 4.41 0.02 1
301 27 27 ARG HB2 H 1.44 0.02 2
302 27 27 ARG HB3 H 1.49 0.02 2
303 27 27 ARG HD2 H 2.87 0.02 2
304 27 27 ARG HD3 H 3.05 0.02 2
305 27 27 ARG HE H 6.99 0.02 1
306 27 27 ARG HG2 H 1.04 0.02 2
307 27 27 ARG HG3 H 1.31 0.02 2
308 27 27 ARG C C 173.2 0.2 1
309 27 27 ARG CA C 54.9 0.2 1
310 27 27 ARG CB C 32.7 0.2 1
311 27 27 ARG CD C 42.7 0.2 1
312 27 27 ARG CG C 26.9 0.2 1
313 27 27 ARG CZ C 159.3 0.2 1
314 27 27 ARG N N 123.2 0.2 1
315 27 27 ARG NE N 83.8 0.2 1
316 28 28 ILE H H 8.34 0.02 1
317 28 28 ILE HA H 4.61 0.02 1
318 28 28 ILE HB H 1.56 0.02 1
319 28 28 ILE HD1 H 0.81 0.02 1
320 28 28 ILE HG12 H 1.11 0.02 2
321 28 28 ILE HG13 H 1.44 0.02 2
322 28 28 ILE HG2 H 0.78 0.02 1
323 28 28 ILE C C 175.5 0.2 1
324 28 28 ILE CA C 60.9 0.2 1
325 28 28 ILE CB C 39.6 0.2 1
326 28 28 ILE CD1 C 13.8 0.2 1
327 28 28 ILE CG1 C 28.3 0.2 1
328 28 28 ILE CG2 C 18.5 0.2 1
329 28 28 ILE N N 125.8 0.2 1
330 29 29 PHE H H 9.58 0.02 1
331 29 29 PHE HA H 4.62 0.02 1
332 29 29 PHE HB2 H 2.84 0.02 2
333 29 29 PHE HB3 H 3.35 0.02 2
334 29 29 PHE HD1 H 7.11 0.02 3
335 29 29 PHE HE1 H 6.94 0.02 3
336 29 29 PHE HZ H 5.89 0.02 1
337 29 29 PHE C C 175.2 0.2 1
338 29 29 PHE CA C 57.5 0.2 1
339 29 29 PHE CB C 42.0 0.2 1
340 29 29 PHE CD1 C 131.2 0.2 3
341 29 29 PHE CE1 C 131.1 0.2 3
342 29 29 PHE CZ C 129.0 0.2 1
343 29 29 PHE N N 126.1 0.2 1
344 30 30 ASN H H 9.26 0.02 1
345 30 30 ASN HA H 4.99 0.02 1
346 30 30 ASN HB2 H 2.73 0.02 2
347 30 30 ASN HB3 H 2.88 0.02 2
348 30 30 ASN HD21 H 6.65 0.02 2
349 30 30 ASN HD22 H 7.93 0.02 2
350 30 30 ASN C C 174.0 0.2 1
351 30 30 ASN CA C 53.6 0.2 1
352 30 30 ASN CB C 41.2 0.2 1
353 30 30 ASN CG C 176.8 0.2 1
354 30 30 ASN N N 120.0 0.2 1
355 30 30 ASN ND2 N 113.6 0.2 1
356 31 31 GLY H H 6.98 0.02 1
357 31 31 GLY HA2 H 2.97 0.02 2
358 31 31 GLY HA3 H 3.72 0.02 2
359 31 31 GLY C C 170.4 0.2 1
360 31 31 GLY CA C 44.9 0.2 1
361 31 31 GLY N N 107.1 0.2 1
362 32 32 VAL H H 7.55 0.02 1
363 32 32 VAL HA H 2.95 0.02 1
364 32 32 VAL HB H 1.73 0.02 1
365 32 32 VAL HG1 H 0.95 0.02 1
366 32 32 VAL HG2 H 1.07 0.02 1
367 32 32 VAL C C 177.3 0.2 1
368 32 32 VAL CA C 65.8 0.2 1
369 32 32 VAL CB C 32.8 0.2 1
370 32 32 VAL CG1 C 23.9 0.2 1
371 32 32 VAL CG2 C 24.1 0.2 1
372 32 32 VAL N N 114.7 0.2 1
373 33 33 TYR H H 9.61 0.02 1
374 33 33 TYR HA H 3.96 0.02 1
375 33 33 TYR HB2 H 2.89 0.02 2
376 33 33 TYR HB3 H 2.97 0.02 2
377 33 33 TYR HD1 H 6.99 0.02 3
378 33 33 TYR HE1 H 6.82 0.02 3
379 33 33 TYR C C 177.9 0.2 1
380 33 33 TYR CA C 63.5 0.2 1
381 33 33 TYR CB C 37.3 0.2 1
382 33 33 TYR CD1 C 133.1 0.2 3
383 33 33 TYR CE1 C 118.2 0.2 3
384 33 33 TYR N N 122.1 0.2 1
385 34 34 GLU H H 8.89 0.02 1
386 34 34 GLU HA H 4.06 0.02 1
387 34 34 GLU HB2 H 2.12 0.02 2
388 34 34 GLU HB3 H 2.17 0.02 2
389 34 34 GLU HG2 H 2.47 0.02 2
390 34 34 GLU HG3 H 2.50 0.02 2
391 34 34 GLU C C 179.8 0.2 1
392 34 34 GLU CA C 59.1 0.2 1
393 34 34 GLU CB C 30.0 0.2 1
394 34 34 GLU CG C 36.8 0.2 1
395 34 34 GLU N N 117.3 0.2 1
396 35 35 ALA H H 7.11 0.02 1
397 35 35 ALA HA H 3.57 0.02 1
398 35 35 ALA HB H 0.60 0.02 1
399 35 35 ALA C C 177.7 0.2 1
400 35 35 ALA CA C 55.4 0.2 1
401 35 35 ALA CB C 17.9 0.2 1
402 35 35 ALA N N 122.7 0.2 1
403 36 36 PHE H H 9.09 0.02 1
404 36 36 PHE HA H 4.13 0.02 1
405 36 36 PHE HB2 H 2.86 0.02 2
406 36 36 PHE HB3 H 3.16 0.02 2
407 36 36 PHE HD1 H 6.95 0.02 3
408 36 36 PHE HE1 H 7.22 0.02 3
409 36 36 PHE HZ H 7.14 0.02 1
410 36 36 PHE C C 177.2 0.2 1
411 36 36 PHE CA C 60.2 0.2 1
412 36 36 PHE CB C 39.8 0.2 1
413 36 36 PHE CD1 C 131.3 0.2 3
414 36 36 PHE CE1 C 131.4 0.2 3
415 36 36 PHE CZ C 129.7 0.2 1
416 36 36 PHE N N 119.3 0.2 1
417 37 37 ASP H H 8.27 0.02 1
418 37 37 ASP HA H 4.07 0.02 1
419 37 37 ASP HB2 H 2.49 0.02 2
420 37 37 ASP HB3 H 2.71 0.02 2
421 37 37 ASP C C 177.6 0.2 1
422 37 37 ASP CA C 57.8 0.2 1
423 37 37 ASP CB C 42.1 0.2 1
424 37 37 ASP N N 119.1 0.2 1
425 38 38 PHE H H 7.81 0.02 1
426 38 38 PHE HA H 4.41 0.02 1
427 38 38 PHE HB2 H 3.33 0.02 2
428 38 38 PHE HB3 H 3.59 0.02 2
429 38 38 PHE HD1 H 7.47 0.02 3
430 38 38 PHE HE1 H 7.41 0.02 3
431 38 38 PHE HZ H 7.22 0.02 1
432 38 38 PHE C C 178.2 0.2 1
433 38 38 PHE CA C 62.1 0.2 1
434 38 38 PHE CB C 41.4 0.2 1
435 38 38 PHE CD1 C 132.3 0.2 3
436 38 38 PHE CE1 C 132.0 0.2 3
437 38 38 PHE CZ C 130.4 0.2 1
438 38 38 PHE N N 121.0 0.2 1
439 39 39 LEU H H 8.97 0.02 1
440 39 39 LEU HA H 3.89 0.02 1
441 39 39 LEU HB2 H 0.79 0.02 2
442 39 39 LEU HB3 H 1.99 0.02 2
443 39 39 LEU HD1 H 0.70 0.02 1
444 39 39 LEU HD2 H 0.01 0.02 1
445 39 39 LEU HG H 1.92 0.02 1
446 39 39 LEU C C 179.2 0.2 1
447 39 39 LEU CA C 58.0 0.2 1
448 39 39 LEU CB C 44.0 0.2 1
449 39 39 LEU CD1 C 28.4 0.2 1
450 39 39 LEU CD2 C 23.4 0.2 1
451 39 39 LEU CG C 26.9 0.2 1
452 39 39 LEU N N 117.8 0.2 1
453 40 40 GLN H H 7.64 0.02 1
454 40 40 GLN HA H 3.89 0.02 1
455 40 40 GLN HB2 H 1.02 0.02 2
456 40 40 GLN HB3 H 1.21 0.02 2
457 40 40 GLN HE21 H 5.82 0.02 2
458 40 40 GLN HE22 H 6.22 0.02 2
459 40 40 GLN HG2 H 1.47 0.02 2
460 40 40 GLN HG3 H 1.58 0.02 2
461 40 40 GLN C C 177.7 0.2 1
462 40 40 GLN CA C 58.1 0.2 1
463 40 40 GLN CB C 30.7 0.2 1
464 40 40 GLN CD C 179.4 0.2 1
465 40 40 GLN CG C 34.4 0.2 1
466 40 40 GLN N N 114.3 0.2 1
467 40 40 GLN NE2 N 110.3 0.2 1
468 41 41 HIS H H 7.78 0.02 1
469 41 41 HIS HA H 4.91 0.02 1
470 41 41 HIS HB2 H 3.06 0.02 2
471 41 41 HIS HB3 H 3.22 0.02 2
472 41 41 HIS HD2 H 7.17 0.02 1
473 41 41 HIS C C 176.2 0.2 1
474 41 41 HIS CA C 57.9 0.2 1
475 41 41 HIS CB C 32.5 0.2 1
476 41 41 HIS CD2 C 122.4 0.2 1
477 41 41 HIS N N 113.5 0.2 1
478 42 42 GLU H H 8.40 0.02 1
479 42 42 GLU HA H 4.55 0.02 1
480 42 42 GLU HB2 H 1.31 0.02 2
481 42 42 GLU HB3 H 2.09 0.02 2
482 42 42 GLU HG2 H 2.10 0.02 2
483 42 42 GLU HG3 H 2.12 0.02 2
484 42 42 GLU C C 174.3 0.2 1
485 42 42 GLU CA C 55.1 0.2 1
486 42 42 GLU CB C 32.6 0.2 1
487 42 42 GLU CG C 37.5 0.2 1
488 42 42 GLU N N 119.4 0.2 1
489 43 43 TRP H H 7.51 0.02 1
490 43 43 TRP HA H 4.39 0.02 1
491 43 43 TRP HB2 H 2.99 0.02 2
492 43 43 TRP HB3 H 3.39 0.02 2
493 43 43 TRP HD1 H 6.76 0.02 1
494 43 43 TRP HE1 H 10.60 0.02 1
495 43 43 TRP HE3 H 7.53 0.02 1
496 43 43 TRP HH2 H 6.83 0.02 1
497 43 43 TRP HZ2 H 7.19 0.02 1
498 43 43 TRP HZ3 H 7.06 0.02 1
499 43 43 TRP CA C 54.7 0.2 1
500 43 43 TRP CB C 30.8 0.2 1
501 43 43 TRP CD1 C 126.9 0.2 1
502 43 43 TRP CE3 C 120.3 0.2 1
503 43 43 TRP CH2 C 124.9 0.2 1
504 43 43 TRP CZ2 C 114.9 0.2 1
505 43 43 TRP CZ3 C 122.2 0.2 1
506 43 43 TRP N N 123.4 0.2 1
507 43 43 TRP NE1 N 129.7 0.2 1
508 44 44 PRO HA H 4.34 0.02 1
509 44 44 PRO HB2 H 1.91 0.02 2
510 44 44 PRO HB3 H 1.97 0.02 2
511 44 44 PRO HD2 H 2.11 0.02 2
512 44 44 PRO HD3 H 3.28 0.02 2
513 44 44 PRO HG2 H 1.14 0.02 2
514 44 44 PRO HG3 H 1.16 0.02 2
515 44 44 PRO C C 174.7 0.2 1
516 44 44 PRO CA C 63.8 0.2 1
517 44 44 PRO CB C 31.5 0.2 1
518 44 44 PRO CD C 50.2 0.2 1
519 44 44 PRO CG C 26.8 0.2 1
520 45 45 ALA H H 6.60 0.02 1
521 45 45 ALA HA H 4.56 0.02 1
522 45 45 ALA HB H 1.25 0.02 1
523 45 45 ALA C C 175.9 0.2 1
524 45 45 ALA CA C 50.6 0.2 1
525 45 45 ALA CB C 21.4 0.2 1
526 45 45 ALA N N 122.5 0.2 1
527 46 46 ARG H H 8.31 0.02 1
528 46 46 ARG HA H 4.04 0.02 1
529 46 46 ARG HB2 H 1.72 0.02 2
530 46 46 ARG HB3 H 1.77 0.02 2
531 46 46 ARG HG2 H 1.56 0.02 2
532 46 46 ARG HG3 H 1.66 0.02 2
533 46 46 ARG C C 177.4 0.2 1
534 46 46 ARG CA C 56.6 0.2 1
535 46 46 ARG CB C 30.4 0.2 1
536 46 46 ARG CD C 43.4 0.2 1
537 46 46 ARG CG C 27.2 0.2 1
538 46 46 ARG N N 120.0 0.2 1
539 47 47 GLY H H 8.80 0.02 1
540 47 47 GLY HA2 H 3.69 0.02 2
541 47 47 GLY HA3 H 3.82 0.02 2
542 47 47 GLY C C 173.6 0.2 1
543 47 47 GLY CA C 46.2 0.2 1
544 47 47 GLY N N 112.2 0.2 1
545 48 48 ASP H H 7.88 0.02 1
546 48 48 ASP HA H 4.78 0.02 1
547 48 48 ASP HB2 H 2.82 0.02 2
548 48 48 ASP HB3 H 3.08 0.02 2
549 48 48 ASP CA C 53.0 0.2 1
550 48 48 ASP CB C 42.6 0.2 1
551 48 48 ASP N N 123.5 0.2 1
552 49 49 ARG HA H 4.14 0.02 1
553 49 49 ARG HB2 H 1.86 0.02 2
554 49 49 ARG HB3 H 1.91 0.02 2
555 49 49 ARG C C 178.4 0.2 1
556 49 49 ARG CA C 59.3 0.2 1
557 49 49 ARG CB C 29.7 0.2 1
558 49 49 ARG CD C 43.0 0.2 1
559 49 49 ARG CG C 26.9 0.2 1
560 50 50 ALA H H 8.33 0.02 1
561 50 50 ALA HA H 4.15 0.02 1
562 50 50 ALA HB H 1.44 0.02 1
563 50 50 ALA C C 181.0 0.2 1
564 50 50 ALA CA C 55.2 0.2 1
565 50 50 ALA CB C 17.7 0.2 1
566 50 50 ALA N N 121.8 0.2 1
567 51 51 HIS H H 8.37 0.02 1
568 51 51 HIS HA H 3.58 0.02 1
569 51 51 HIS HB2 H 3.17 0.02 2
570 51 51 HIS HB3 H 3.32 0.02 2
571 51 51 HIS HE1 H 7.49 0.02 1
572 51 51 HIS C C 175.8 0.2 1
573 51 51 HIS CA C 61.0 0.2 1
574 51 51 HIS CB C 31.3 0.2 1
575 51 51 HIS CE1 C 138.2 0.2 1
576 51 51 HIS N N 123.0 0.2 1
577 52 52 GLU H H 8.02 0.02 1
578 52 52 GLU HA H 3.69 0.02 1
579 52 52 GLU HB2 H 2.11 0.02 2
580 52 52 GLU HB3 H 2.17 0.02 2
581 52 52 GLU HG2 H 2.18 0.02 2
582 52 52 GLU HG3 H 2.34 0.02 2
583 52 52 GLU C C 179.4 0.2 1
584 52 52 GLU CA C 59.5 0.2 1
585 52 52 GLU CB C 29.4 0.2 1
586 52 52 GLU CG C 36.0 0.2 1
587 52 52 GLU N N 119.2 0.2 1
588 53 53 GLN H H 8.23 0.02 1
589 53 53 GLN HA H 4.04 0.02 1
590 53 53 GLN HB2 H 2.02 0.02 2
591 53 53 GLN HB3 H 2.10 0.02 2
592 53 53 GLN HE21 H 6.88 0.02 2
593 53 53 GLN HE22 H 7.45 0.02 2
594 53 53 GLN HG2 H 2.37 0.02 2
595 53 53 GLN HG3 H 2.39 0.02 2
596 53 53 GLN C C 177.5 0.2 1
597 53 53 GLN CA C 58.6 0.2 1
598 53 53 GLN CB C 28.7 0.2 1
599 53 53 GLN CD C 179.8 0.2 1
600 53 53 GLN CG C 33.8 0.2 1
601 53 53 GLN N N 118.0 0.2 1
602 53 53 GLN NE2 N 111.9 0.2 1
603 54 54 ALA H H 7.94 0.02 1
604 54 54 ALA HA H 3.98 0.02 1
605 54 54 ALA HB H 1.27 0.02 1
606 54 54 ALA C C 179.2 0.2 1
607 54 54 ALA CA C 55.3 0.2 1
608 54 54 ALA CB C 17.8 0.2 1
609 54 54 ALA N N 120.9 0.2 1
610 55 55 LEU H H 8.36 0.02 1
611 55 55 LEU HA H 3.75 0.02 1
612 55 55 LEU HB2 H 1.47 0.02 2
613 55 55 LEU HB3 H 1.51 0.02 2
614 55 55 LEU HD1 H 0.52 0.02 1
615 55 55 LEU HD2 H 0.61 0.02 1
616 55 55 LEU HG H 1.17 0.02 1
617 55 55 LEU C C 178.5 0.2 1
618 55 55 LEU CA C 59.0 0.2 1
619 55 55 LEU CB C 42.4 0.2 1
620 55 55 LEU CD1 C 26.0 0.2 1
621 55 55 LEU CD2 C 26.0 0.2 1
622 55 55 LEU CG C 26.9 0.2 1
623 55 55 LEU N N 120.5 0.2 1
624 56 56 ARG H H 7.90 0.02 1
625 56 56 ARG HA H 3.91 0.02 1
626 56 56 ARG HB2 H 1.87 0.02 2
627 56 56 ARG HB3 H 1.90 0.02 2
628 56 56 ARG HG2 H 1.50 0.02 2
629 56 56 ARG HG3 H 1.71 0.02 2
630 56 56 ARG C C 179.9 0.2 1
631 56 56 ARG CA C 59.4 0.2 1
632 56 56 ARG CB C 30.3 0.2 1
633 56 56 ARG CD C 43.1 0.2 1
634 56 56 ARG CG C 27.5 0.2 1
635 56 56 ARG N N 118.0 0.2 1
636 57 57 LEU H H 8.53 0.02 1
637 57 57 LEU HA H 4.15 0.02 1
638 57 57 LEU HB2 H 1.09 0.02 2
639 57 57 LEU HB3 H 1.81 0.02 2
640 57 57 LEU HD1 H 0.77 0.02 1
641 57 57 LEU HD2 H 0.81 0.02 1
642 57 57 LEU HG H 1.74 0.02 1
643 57 57 LEU C C 179.4 0.2 1
644 57 57 LEU CA C 57.7 0.2 1
645 57 57 LEU CB C 41.9 0.2 1
646 57 57 LEU CD1 C 26.2 0.2 1
647 57 57 LEU CD2 C 22.9 0.2 1
648 57 57 LEU CG C 27.7 0.2 1
649 57 57 LEU N N 119.6 0.2 1
650 58 58 CYS H H 8.60 0.02 1
651 58 58 CYS HA H 4.06 0.02 1
652 58 58 CYS HB2 H 2.29 0.02 2
653 58 58 CYS HB3 H 3.21 0.02 2
654 58 58 CYS C C 176.2 0.2 1
655 58 58 CYS CA C 64.9 0.2 1
656 58 58 CYS CB C 27.4 0.2 1
657 58 58 CYS N N 117.2 0.2 1
658 59 59 ARG H H 7.84 0.02 1
659 59 59 ARG HA H 3.10 0.02 1
660 59 59 ARG HB2 H 1.72 0.02 2
661 59 59 ARG HB3 H 1.76 0.02 2
662 59 59 ARG HG2 H 1.35 0.02 2
663 59 59 ARG HG3 H 1.38 0.02 2
664 59 59 ARG C C 177.5 0.2 1
665 59 59 ARG CA C 59.9 0.2 1
666 59 59 ARG CB C 29.7 0.2 1
667 59 59 ARG CD C 42.8 0.2 1
668 59 59 ARG CG C 27.5 0.2 1
669 59 59 ARG N N 119.7 0.2 1
670 60 60 ALA H H 7.92 0.02 1
671 60 60 ALA HA H 4.15 0.02 1
672 60 60 ALA HB H 1.44 0.02 1
673 60 60 ALA C C 180.1 0.2 1
674 60 60 ALA CA C 54.6 0.2 1
675 60 60 ALA CB C 19.0 0.2 1
676 60 60 ALA N N 118.2 0.2 1
677 61 61 SER H H 8.14 0.02 1
678 61 61 SER HA H 4.75 0.02 1
679 61 61 SER HB2 H 3.81 0.02 2
680 61 61 SER HB3 H 3.89 0.02 2
681 61 61 SER C C 179.4 0.2 1
682 61 61 SER CA C 61.0 0.2 1
683 61 61 SER CB C 64.3 0.2 1
684 61 61 SER N N 115.0 0.2 1
685 62 62 LEU H H 7.85 0.02 1
686 62 62 LEU HA H 4.13 0.02 1
687 62 62 LEU HB2 H 1.38 0.02 2
688 62 62 LEU HB3 H 1.82 0.02 2
689 62 62 LEU HD1 H 0.42 0.02 1
690 62 62 LEU HD2 H 0.77 0.02 1
691 62 62 LEU HG H 1.69 0.02 1
692 62 62 LEU C C 178.0 0.2 1
693 62 62 LEU CA C 57.4 0.2 1
694 62 62 LEU CB C 41.2 0.2 1
695 62 62 LEU CD1 C 26.2 0.2 1
696 62 62 LEU CD2 C 22.8 0.2 1
697 62 62 LEU CG C 26.6 0.2 1
698 62 62 LEU N N 121.8 0.2 1
699 63 63 MET H H 7.49 0.02 1
700 63 63 MET HA H 4.49 0.02 1
701 63 63 MET HB2 H 2.04 0.02 2
702 63 63 MET HB3 H 2.27 0.02 2
703 63 63 MET HE H 2.04 0.02 1
704 63 63 MET HG2 H 2.54 0.02 2
705 63 63 MET HG3 H 2.64 0.02 2
706 63 63 MET C C 176.5 0.2 1
707 63 63 MET CA C 55.3 0.2 1
708 63 63 MET CB C 32.6 0.2 1
709 63 63 MET CE C 16.6 0.2 1
710 63 63 MET CG C 32.0 0.2 1
711 63 63 MET N N 114.3 0.2 1
712 64 64 GLY H H 7.82 0.02 1
713 64 64 GLY HA2 H 3.85 0.02 2
714 64 64 GLY HA3 H 4.25 0.02 2
715 64 64 GLY C C 174.7 0.2 1
716 64 64 GLY CA C 45.2 0.2 1
717 64 64 GLY N N 106.7 0.2 1
718 65 65 ASP H H 8.07 0.02 1
719 65 65 ASP HA H 4.65 0.02 1
720 65 65 ASP HB2 H 2.46 0.02 2
721 65 65 ASP HB3 H 2.70 0.02 2
722 65 65 ASP C C 175.8 0.2 1
723 65 65 ASP CA C 56.1 0.2 1
724 65 65 ASP CB C 42.7 0.2 1
725 65 65 ASP N N 118.7 0.2 1
726 66 66 VAL H H 6.73 0.02 1
727 66 66 VAL HA H 4.36 0.02 1
728 66 66 VAL HB H 1.69 0.02 1
729 66 66 VAL HG1 H 0.92 0.02 1
730 66 66 VAL HG2 H 0.81 0.02 1
731 66 66 VAL C C 174.7 0.2 1
732 66 66 VAL CA C 59.7 0.2 1
733 66 66 VAL CB C 36.3 0.2 1
734 66 66 VAL CG1 C 21.5 0.2 1
735 66 66 VAL CG2 C 22.0 0.2 1
736 66 66 VAL N N 114.1 0.2 1
737 67 67 ALA H H 8.67 0.02 1
738 67 67 ALA HA H 4.34 0.02 1
739 67 67 ALA HB H 1.61 0.02 1
740 67 67 ALA C C 179.0 0.2 1
741 67 67 ALA CA C 52.5 0.2 1
742 67 67 ALA CB C 19.2 0.2 1
743 67 67 ALA N N 129.0 0.2 1
744 68 68 GLY H H 9.25 0.02 1
745 68 68 GLY HA2 H 3.99 0.02 2
746 68 68 GLY HA3 H 4.17 0.02 2
747 68 68 GLY C C 177.4 0.2 1
748 68 68 GLY CA C 48.0 0.2 1
749 68 68 GLY N N 110.1 0.2 1
750 69 69 GLU H H 9.10 0.02 1
751 69 69 GLU HA H 3.94 0.02 1
752 69 69 GLU HB2 H 1.98 0.02 2
753 69 69 GLU HB3 H 2.06 0.02 2
754 69 69 GLU C C 178.0 0.2 1
755 69 69 GLU CA C 59.0 0.2 1
756 69 69 GLU CB C 29.3 0.2 1
757 69 69 GLU N N 120.5 0.2 1
758 70 70 ILE H H 7.22 0.02 1
759 70 70 ILE HA H 3.84 0.02 1
760 70 70 ILE HB H 2.20 0.02 1
761 70 70 ILE HD1 H 0.88 0.02 1
762 70 70 ILE HG12 H 1.32 0.02 2
763 70 70 ILE HG13 H 1.62 0.02 2
764 70 70 ILE HG2 H 0.91 0.02 1
765 70 70 ILE C C 179.3 0.2 1
766 70 70 ILE CA C 63.3 0.2 1
767 70 70 ILE CB C 36.6 0.2 1
768 70 70 ILE CD1 C 11.5 0.2 1
769 70 70 ILE CG1 C 28.6 0.2 1
770 70 70 ILE CG2 C 18.1 0.2 1
771 70 70 ILE N N 120.2 0.2 1
772 71 71 ALA H H 7.05 0.02 1
773 71 71 ALA HA H 3.99 0.02 1
774 71 71 ALA HB H 1.80 0.02 1
775 71 71 ALA C C 178.5 0.2 1
776 71 71 ALA CA C 55.5 0.2 1
777 71 71 ALA CB C 18.5 0.2 1
778 71 71 ALA N N 122.1 0.2 1
779 72 72 ARG H H 8.12 0.02 1
780 72 72 ARG HA H 3.08 0.02 1
781 72 72 ARG HB2 H -0.21 0.02 2
782 72 72 ARG HB3 H 1.34 0.02 2
783 72 72 ARG HD2 H 2.28 0.02 2
784 72 72 ARG HD3 H 2.77 0.02 2
785 72 72 ARG HE H 7.46 0.02 1
786 72 72 ARG HG2 H -0.74 0.02 2
787 72 72 ARG HG3 H 0.84 0.02 2
788 72 72 ARG C C 177.9 0.2 1
789 72 72 ARG CA C 60.0 0.2 1
790 72 72 ARG CB C 28.3 0.2 1
791 72 72 ARG CD C 43.2 0.2 1
792 72 72 ARG CG C 25.7 0.2 1
793 72 72 ARG CZ C 158.8 0.2 1
794 72 72 ARG N N 118.8 0.2 1
795 72 72 ARG NE N 85.2 0.2 1
796 73 73 THR H H 8.09 0.02 1
797 73 73 THR HA H 3.64 0.02 1
798 73 73 THR HB H 4.19 0.02 1
799 73 73 THR HG2 H 1.19 0.02 1
800 73 73 THR C C 176.4 0.2 1
801 73 73 THR CA C 66.5 0.2 1
802 73 73 THR CB C 68.6 0.2 1
803 73 73 THR CG2 C 22.1 0.2 1
804 73 73 THR N N 116.2 0.2 1
805 74 74 ALA H H 7.66 0.02 1
806 74 74 ALA HA H 4.23 0.02 1
807 74 74 ALA HB H 1.51 0.02 1
808 74 74 ALA C C 180.3 0.2 1
809 74 74 ALA CA C 54.9 0.2 1
810 74 74 ALA CB C 19.1 0.2 1
811 74 74 ALA N N 123.3 0.2 1
812 75 75 PHE H H 8.76 0.02 1
813 75 75 PHE HA H 4.13 0.02 1
814 75 75 PHE HB2 H 3.03 0.02 2
815 75 75 PHE HB3 H 3.20 0.02 2
816 75 75 PHE HD1 H 6.97 0.02 3
817 75 75 PHE HE1 H 7.03 0.02 3
818 75 75 PHE HZ H 6.07 0.02 1
819 75 75 PHE C C 178.1 0.2 1
820 75 75 PHE CA C 61.7 0.2 1
821 75 75 PHE CB C 39.6 0.2 1
822 75 75 PHE CD1 C 131.0 0.2 3
823 75 75 PHE CE1 C 131.2 0.2 3
824 75 75 PHE CZ C 129.7 0.2 1
825 75 75 PHE N N 123.3 0.2 1
826 76 76 VAL H H 8.98 0.02 1
827 76 76 VAL HA H 3.21 0.02 1
828 76 76 VAL HB H 2.11 0.02 1
829 76 76 VAL HG1 H 0.89 0.02 1
830 76 76 VAL HG2 H 0.92 0.02 1
831 76 76 VAL C C 177.5 0.2 1
832 76 76 VAL CA C 67.5 0.2 1
833 76 76 VAL CB C 31.7 0.2 1
834 76 76 VAL CG1 C 21.4 0.2 1
835 76 76 VAL CG2 C 24.3 0.2 1
836 76 76 VAL N N 123.6 0.2 1
837 77 77 ALA H H 8.07 0.02 1
838 77 77 ALA HA H 4.08 0.02 1
839 77 77 ALA HB H 1.49 0.02 1
840 77 77 ALA C C 181.0 0.2 1
841 77 77 ALA CA C 55.3 0.2 1
842 77 77 ALA CB C 17.8 0.2 1
843 77 77 ALA N N 121.2 0.2 1
844 78 78 ALA H H 8.13 0.02 1
845 78 78 ALA HA H 4.03 0.02 1
846 78 78 ALA HB H 1.28 0.02 1
847 78 78 ALA C C 180.2 0.2 1
848 78 78 ALA CA C 55.3 0.2 1
849 78 78 ALA CB C 17.2 0.2 1
850 78 78 ALA N N 119.8 0.2 1
851 79 79 SER H H 8.27 0.02 1
852 79 79 SER HA H 4.26 0.02 1
853 79 79 SER HB2 H 3.39 0.02 2
854 79 79 SER HB3 H 3.81 0.02 2
855 79 79 SER C C 175.8 0.2 1
856 79 79 SER CA C 62.1 0.2 1
857 79 79 SER CB C 63.4 0.2 1
858 79 79 SER N N 116.8 0.2 1
859 80 80 ARG H H 8.71 0.02 1
860 80 80 ARG HA H 4.03 0.02 1
861 80 80 ARG HB2 H 1.86 0.02 2
862 80 80 ARG HB3 H 1.90 0.02 2
863 80 80 ARG HG2 H 1.71 0.02 2
864 80 80 ARG HG3 H 1.75 0.02 2
865 80 80 ARG C C 180.4 0.2 1
866 80 80 ARG CA C 59.6 0.2 1
867 80 80 ARG CB C 30.0 0.2 1
868 80 80 ARG CD C 43.0 0.2 1
869 80 80 ARG CG C 27.5 0.2 1
870 80 80 ARG N N 123.8 0.2 1
871 81 81 GLN H H 7.86 0.02 1
872 81 81 GLN HA H 3.99 0.02 1
873 81 81 GLN HB2 H 2.09 0.02 2
874 81 81 GLN HB3 H 2.26 0.02 2
875 81 81 GLN HE21 H 7.01 0.02 2
876 81 81 GLN HE22 H 7.63 0.02 2
877 81 81 GLN HG2 H 2.52 0.02 2
878 81 81 GLN HG3 H 2.54 0.02 2
879 81 81 GLN C C 176.4 0.2 1
880 81 81 GLN CA C 58.3 0.2 1
881 81 81 GLN CB C 28.4 0.2 1
882 81 81 GLN CD C 179.7 0.2 1
883 81 81 GLN CG C 33.8 0.2 1
884 81 81 GLN N N 119.6 0.2 1
885 81 81 GLN NE2 N 112.9 0.2 1
886 82 82 ALA H H 7.63 0.02 1
887 82 82 ALA HA H 4.26 0.02 1
888 82 82 ALA HB H 1.30 0.02 1
889 82 82 ALA C C 175.8 0.2 1
890 82 82 ALA CA C 51.7 0.2 1
891 82 82 ALA CB C 19.2 0.2 1
892 82 82 ALA N N 118.5 0.2 1
893 83 83 HIS H H 7.64 0.02 1
894 83 83 HIS HA H 4.37 0.02 1
895 83 83 HIS HB2 H 3.33 0.02 2
896 83 83 HIS HB3 H 3.37 0.02 2
897 83 83 HIS HD2 H 7.06 0.02 1
898 83 83 HIS C C 174.6 0.2 1
899 83 83 HIS CA C 56.8 0.2 1
900 83 83 HIS CB C 26.9 0.2 1
901 83 83 HIS CD2 C 120.1 0.2 1
902 83 83 HIS N N 113.2 0.2 1
903 84 84 CYS H H 8.32 0.02 1
904 84 84 CYS HA H 5.08 0.02 1
905 84 84 CYS HB2 H 2.49 0.02 2
906 84 84 CYS HB3 H 3.47 0.02 2
907 84 84 CYS C C 173.3 0.2 1
908 84 84 CYS CA C 56.1 0.2 1
909 84 84 CYS CB C 29.2 0.2 1
910 84 84 CYS N N 110.5 0.2 1
911 85 85 LEU H H 7.31 0.02 1
912 85 85 LEU HA H 4.28 0.02 1
913 85 85 LEU HB2 H 1.04 0.02 2
914 85 85 LEU HB3 H 1.71 0.02 2
915 85 85 LEU HD1 H 0.93 0.02 1
916 85 85 LEU HD2 H 0.85 0.02 1
917 85 85 LEU HG H 1.36 0.02 1
918 85 85 LEU C C 176.4 0.2 1
919 85 85 LEU CA C 55.3 0.2 1
920 85 85 LEU CB C 42.7 0.2 1
921 85 85 LEU CD1 C 23.7 0.2 1
922 85 85 LEU CD2 C 26.7 0.2 1
923 85 85 LEU CG C 27.2 0.2 1
924 85 85 LEU N N 124.5 0.2 1
925 86 86 MET H H 8.52 0.02 1
926 86 86 MET HA H 4.53 0.02 1
927 86 86 MET HB2 H 1.63 0.02 2
928 86 86 MET HB3 H 1.93 0.02 2
929 86 86 MET HG2 H 2.37 0.02 2
930 86 86 MET HG3 H 2.39 0.02 2
931 86 86 MET C C 175.0 0.2 1
932 86 86 MET CA C 55.4 0.2 1
933 86 86 MET CB C 33.0 0.2 1
934 86 86 MET CG C 32.2 0.2 1
935 86 86 MET N N 127.3 0.2 1
936 87 87 GLU H H 8.46 0.02 1
937 87 87 GLU HA H 4.29 0.02 1
938 87 87 GLU HB2 H 1.86 0.02 2
939 87 87 GLU HB3 H 1.98 0.02 2
940 87 87 GLU HG2 H 2.12 0.02 2
941 87 87 GLU HG3 H 2.19 0.02 2
942 87 87 GLU C C 175.5 0.2 1
943 87 87 GLU CA C 56.2 0.2 1
944 87 87 GLU CB C 30.9 0.2 1
945 87 87 GLU CG C 36.1 0.2 1
946 87 87 GLU N N 123.3 0.2 1
947 88 88 ASP H H 8.51 0.02 1
948 88 88 ASP HA H 4.56 0.02 1
949 88 88 ASP HB2 H 2.53 0.02 2
950 88 88 ASP HB3 H 2.67 0.02 2
951 88 88 ASP C C 176.2 0.2 1
952 88 88 ASP CA C 54.2 0.2 1
953 88 88 ASP CB C 41.4 0.2 1
954 88 88 ASP N N 122.6 0.2 1
955 89 89 LYS H H 8.33 0.02 1
956 89 89 LYS HA H 4.26 0.02 1
957 89 89 LYS HB2 H 1.72 0.02 2
958 89 89 LYS HB3 H 1.83 0.02 2
959 89 89 LYS C C 176.2 0.2 1
960 89 89 LYS CA C 56.2 0.2 1
961 89 89 LYS CB C 32.9 0.2 1
962 89 89 LYS CD C 28.8 0.2 1
963 89 89 LYS CE C 41.9 0.2 1
964 89 89 LYS CG C 24.5 0.2 1
965 89 89 LYS N N 122.3 0.2 1
966 90 90 ALA H H 8.30 0.02 1
967 90 90 ALA HA H 4.25 0.02 1
968 90 90 ALA HB H 1.34 0.02 1
969 90 90 ALA C C 177.6 0.2 1
970 90 90 ALA CA C 52.5 0.2 1
971 90 90 ALA CB C 19.3 0.2 1
972 90 90 ALA N N 125.1 0.2 1
973 91 91 GLU H H 8.25 0.02 1
974 91 91 GLU HA H 4.22 0.02 1
975 91 91 GLU HB2 H 1.86 0.02 2
976 91 91 GLU HB3 H 1.99 0.02 2
977 91 91 GLU C C 175.8 0.2 1
978 91 91 GLU CA C 56.0 0.2 1
979 91 91 GLU CB C 30.5 0.2 1
980 91 91 GLU CG C 36.1 0.2 1
981 91 91 GLU N N 120.2 0.2 1
982 92 92 ALA H H 8.32 0.02 1
983 92 92 ALA HA H 4.55 0.02 1
984 92 92 ALA CA C 50.5 0.2 1
985 92 92 ALA CB C 18.2 0.2 1
986 92 92 ALA N N 126.6 0.2 1
987 93 93 PRO HA H 4.39 0.02 1
988 93 93 PRO HB2 H 1.89 0.02 2
989 93 93 PRO HB3 H 2.26 0.02 2
990 93 93 PRO HD2 H 3.62 0.02 2
991 93 93 PRO HD3 H 3.75 0.02 2
992 93 93 PRO C C 176.7 0.2 1
993 93 93 PRO CA C 63.1 0.2 1
994 93 93 PRO CB C 32.0 0.2 1
995 93 93 PRO CD C 50.4 0.2 1
996 94 94 ASN H H 8.54 0.02 1
997 94 94 ASN HA H 4.68 0.02 1
998 94 94 ASN HB2 H 2.77 0.02 2
999 94 94 ASN HB3 H 2.81 0.02 2
1000 94 94 ASN HD21 H 6.89 0.02 2
1001 94 94 ASN HD22 H 7.60 0.02 2
1002 94 94 ASN C C 175.4 0.2 1
1003 94 94 ASN CA C 53.3 0.2 1
1004 94 94 ASN CB C 38.7 0.2 1
1005 94 94 ASN CG C 177.0 0.2 1
1006 94 94 ASN N N 118.7 0.2 1
1007 94 94 ASN ND2 N 113.0 0.2 1
1008 95 95 THR H H 8.09 0.02 1
1009 95 95 THR HA H 4.17 0.02 1
1010 95 95 THR HB H 4.30 0.02 1
1011 95 95 THR HG2 H 1.15 0.02 1
1012 95 95 THR C C 174.4 0.2 1
1013 95 95 THR CA C 61.9 0.2 1
1014 95 95 THR CB C 69.7 0.2 1
1015 95 95 THR CG2 C 21.6 0.2 1
1016 95 95 THR N N 114.7 0.2 1
1017 96 96 ILE H H 8.15 0.02 1
1018 96 96 ILE HA H 4.13 0.02 1
1019 96 96 ILE HB H 1.84 0.02 1
1020 96 96 ILE HD1 H 0.82 0.02 1
1021 96 96 ILE HG12 H 1.15 0.02 2
1022 96 96 ILE HG13 H 1.44 0.02 2
1023 96 96 ILE HG2 H 0.88 0.02 1
1024 96 96 ILE C C 176.0 0.2 1
1025 96 96 ILE CA C 61.1 0.2 1
1026 96 96 ILE CB C 38.6 0.2 1
1027 96 96 ILE CD1 C 12.9 0.2 1
1028 96 96 ILE CG1 C 27.2 0.2 1
1029 96 96 ILE CG2 C 17.4 0.2 1
1030 96 96 ILE N N 123.5 0.2 1
1031 97 97 ALA H H 8.40 0.02 1
1032 97 97 ALA HA H 4.33 0.02 1
1033 97 97 ALA HB H 1.36 0.02 1
1034 97 97 ALA C C 177.7 0.2 1
1035 97 97 ALA CA C 52.4 0.2 1
1036 97 97 ALA CB C 19.2 0.2 1
1037 97 97 ALA N N 128.6 0.2 1
1038 98 98 SER H H 8.32 0.02 1
1039 98 98 SER HA H 4.41 0.02 1
1040 98 98 SER HB2 H 3.84 0.02 2
1041 98 98 SER HB3 H 3.89 0.02 2
1042 98 98 SER C C 175.0 0.2 1
1043 98 98 SER CA C 58.5 0.2 1
1044 98 98 SER CB C 63.8 0.2 1
1045 98 98 SER N N 115.7 0.2 1
1046 99 99 GLY H H 8.42 0.02 1
1047 99 99 GLY HA2 H 3.97 0.02 2
1048 99 99 GLY HA3 H 4.01 0.02 2
1049 99 99 GLY C C 173.4 0.2 1
1050 99 99 GLY CA C 45.4 0.2 1
1051 99 99 GLY N N 111.6 0.2 1
1052 100 100 SER H H 7.90 0.02 1
1053 100 100 SER HA H 4.27 0.02 1
1054 100 100 SER CA C 59.9 0.2 1
1055 100 100 SER CB C 64.8 0.2 1
1056 100 100 SER N N 121.3 0.2 1
stop_
save_