data_5570
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C, and 15N NMR assignments of the hypothetical Nudix protein DR0079 from
the extremely radiation-resistant bacterium Deinococcus radiodurans
;
_BMRB_accession_number 5570
_BMRB_flat_file_name bmr5570.str
_Entry_type original
_Submission_date 2002-10-31
_Accession_date 2002-11-01
_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 Buchko Garry W. .
2 Ni Shusoing . .
3 Holbrook Stephen R. .
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" 743
"13C chemical shifts" 580
"15N chemical shifts" 166
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2003-02-18 original author .
stop_
_Original_release_date 2003-02-18
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letter to the Editor: 1H, 13C, and 15N NMR assignments of the hypothetical Nudix protein DR0079 from
the extremely radiation-resistant bacterium Deinococcus radiodurans
;
_Citation_status published
_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 Buchko Garry W. .
2 Ni Shusoing . .
3 Holbrook Stephen R. .
4 Kennedy Michael A. .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 25
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 169
_Page_last 170
_Year 2003
_Details .
loop_
_Keyword
'Deinococcus radiodurans'
'DNA maintenance'
'DNA repair'
'Nudix hydrolase'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_DR0079
_Saveframe_category molecular_system
_Mol_system_name DR0079
_Abbreviation_common DR0079
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
DR0079 $DR0079
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
loop_
_Biological_function
'hypothetical Nudix protein'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_DR0079
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common DR0079
_Abbreviation_common DR0079
_Molecular_mass 19283
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 171
_Mol_residue_sequence
;
MGGVSDERLDLVNERDEVVG
QILRTDPALRWERVRVVNAF
LRNSQGQLWIPRRSPSKSLF
PNALDVSVGGAVQSGETYEE
AFRREAREELNVEIDALSWR
PLASFSPFQTTLSSFMCVYE
LRSDATPIFNPNDISGGEWL
TPEHLLARIAAGEAAKGDLA
ELVRRCYREEE
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLY 3 GLY 4 VAL 5 SER
6 ASP 7 GLU 8 ARG 9 LEU 10 ASP
11 LEU 12 VAL 13 ASN 14 GLU 15 ARG
16 ASP 17 GLU 18 VAL 19 VAL 20 GLY
21 GLN 22 ILE 23 LEU 24 ARG 25 THR
26 ASP 27 PRO 28 ALA 29 LEU 30 ARG
31 TRP 32 GLU 33 ARG 34 VAL 35 ARG
36 VAL 37 VAL 38 ASN 39 ALA 40 PHE
41 LEU 42 ARG 43 ASN 44 SER 45 GLN
46 GLY 47 GLN 48 LEU 49 TRP 50 ILE
51 PRO 52 ARG 53 ARG 54 SER 55 PRO
56 SER 57 LYS 58 SER 59 LEU 60 PHE
61 PRO 62 ASN 63 ALA 64 LEU 65 ASP
66 VAL 67 SER 68 VAL 69 GLY 70 GLY
71 ALA 72 VAL 73 GLN 74 SER 75 GLY
76 GLU 77 THR 78 TYR 79 GLU 80 GLU
81 ALA 82 PHE 83 ARG 84 ARG 85 GLU
86 ALA 87 ARG 88 GLU 89 GLU 90 LEU
91 ASN 92 VAL 93 GLU 94 ILE 95 ASP
96 ALA 97 LEU 98 SER 99 TRP 100 ARG
101 PRO 102 LEU 103 ALA 104 SER 105 PHE
106 SER 107 PRO 108 PHE 109 GLN 110 THR
111 THR 112 LEU 113 SER 114 SER 115 PHE
116 MET 117 CYS 118 VAL 119 TYR 120 GLU
121 LEU 122 ARG 123 SER 124 ASP 125 ALA
126 THR 127 PRO 128 ILE 129 PHE 130 ASN
131 PRO 132 ASN 133 ASP 134 ILE 135 SER
136 GLY 137 GLY 138 GLU 139 TRP 140 LEU
141 THR 142 PRO 143 GLU 144 HIS 145 LEU
146 LEU 147 ALA 148 ARG 149 ILE 150 ALA
151 ALA 152 GLY 153 GLU 154 ALA 155 ALA
156 LYS 157 GLY 158 ASP 159 LEU 160 ALA
161 GLU 162 LEU 163 VAL 164 ARG 165 ARG
166 CYS 167 TYR 168 ARG 169 GLU 170 GLU
171 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-07-28
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 1Q27 "Nmr Solution Structure Of Dr0079: An Hypothetical Nudix Protein From D. Radiodurans" 100.00 171 100.00 100.00 4.64e-119
PDB 2O5F "Crystal Structure Of Dr0079 From Deinococcus Radiodurans At 1.9 Angstrom Resolution" 100.00 171 100.00 100.00 4.64e-119
GB AAF09672 "MutT/nudix family protein [Deinococcus radiodurans R1]" 100.00 171 100.00 100.00 4.64e-119
REF NP_293805 "MutT/nudix family protein [Deinococcus radiodurans R1]" 100.00 171 100.00 100.00 4.64e-119
REF WP_010886727 "NUDIX hydrolase [Deinococcus radiodurans]" 100.00 171 100.00 100.00 4.64e-119
SP Q9RY71 "RecName: Full=Nudix hydrolase DR_0079 [Deinococcus radiodurans R1]" 100.00 171 100.00 100.00 4.64e-119
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$DR0079 'D. radiodurans' 1299 Eubacteria . Deinococcus radiodurans
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
$DR0079 'recombinant technology' 'E. coli' Escherichia coli BL21 .
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
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$DR0079 . mM 0.1 4 '[U-15N; U-13C]'
stop_
save_
############################
# Computer software used #
############################
save_FELIX
_Saveframe_category software
_Name FELIX
_Version 97
loop_
_Task
'data processing'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 600
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 750
_Details .
save_
save_NMR_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_HSQC-NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC-NOESY
_Sample_label .
save_
save_HNCA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label .
save_
save_HNCOCA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCOCA
_Sample_label .
save_
save_CBCA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_Sample_label .
save_
save_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_HNCO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
save_HNCACO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACO
_Sample_label .
save_
save_HCCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_CCC-TOCSY-NNH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name CCC-TOCSY-NNH
_Sample_label .
save_
save_CBCACOCAHA_10
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACOCAHA
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC-NOESY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCOCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name CCC-TOCSY-NNH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACOCAHA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.1 0.2 na
temperature 298 1 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
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
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_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
HSQC-NOESY
HNCA
HNCOCA
CBCA(CO)NH
HNCACB
HNCO
HNCACO
HCCH-TOCSY
CCC-TOCSY-NNH
CBCACOCAHA
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name DR0079
_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 MET HE H 2.13 0.02 1
2 . 1 MET CE C 16.9 0.2 1
3 . 2 GLY H H 8.47 0.02 1
4 . 3 GLY CA C 45.2 0.2 1
5 . 3 GLY N N 108.6 0.2 1
6 . 4 VAL H H 8.06 0.02 1
7 . 4 VAL HA H 4.21 0.02 1
8 . 4 VAL HB H 2.13 0.02 1
9 . 4 VAL HG1 H 0.98 0.02 1
10 . 4 VAL HG2 H 0.92 0.02 1
11 . 4 VAL C C 176.4 0.2 1
12 . 4 VAL CA C 62.2 0.2 1
13 . 4 VAL CB C 32.7 0.2 1
14 . 4 VAL CG1 C 21.2 0.2 1
15 . 4 VAL CG2 C 20.2 0.2 1
16 . 4 VAL N N 118.2 0.2 1
17 . 5 SER H H 8.41 0.02 1
18 . 5 SER HA H 4.48 0.02 1
19 . 5 SER HB2 H 3.91 0.02 2
20 . 5 SER HB3 H 3.85 0.02 2
21 . 5 SER C C 174.1 0.2 1
22 . 5 SER CA C 63.8 0.2 1
23 . 5 SER CB C 58.5 0.2 1
24 . 5 SER N N 118.0 0.2 1
25 . 6 ASP H H 8.25 0.02 1
26 . 6 ASP CA C 54.1 0.2 1
27 . 6 ASP CB C 41.5 0.2 1
28 . 6 ASP N N 121.9 0.2 1
29 . 7 GLU HA H 4.25 0.02 1
30 . 7 GLU HG2 H 2.34 0.02 2
31 . 7 GLU HG3 H 2.21 0.02 2
32 . 7 GLU CA C 57.1 0.2 1
33 . 7 GLU CB C 30.9 0.2 1
34 . 7 GLU CG C 36.7 0.2 1
35 . 8 ARG H H 8.47 0.02 1
36 . 8 ARG HA H 4.88 0.02 1
37 . 8 ARG HB2 H 1.74 0.02 2
38 . 8 ARG HB3 H 1.61 0.02 2
39 . 8 ARG HG2 H 1.48 0.02 1
40 . 8 ARG HG3 H 1.48 0.02 1
41 . 8 ARG HD2 H 3.09 0.02 1
42 . 8 ARG HD3 H 3.09 0.02 1
43 . 8 ARG CA C 55.6 0.2 1
44 . 8 ARG CB C 33.3 0.2 1
45 . 8 ARG CG C 28.0 0.2 1
46 . 8 ARG N N 121.6 0.2 1
47 . 9 LEU H H 9.38 0.02 1
48 . 9 LEU HA H 4.64 0.02 1
49 . 9 LEU HB2 H 1.87 0.02 4
50 . 9 LEU HB3 H 1.56 0.02 4
51 . 9 LEU HG H 1.56 0.02 4
52 . 9 LEU CA C 53.7 0.2 1
53 . 9 LEU CB C 43.0 0.2 1
54 . 9 LEU CG C 25.5 0.2 1
55 . 9 LEU N N 122.3 0.2 1
56 . 10 ASP H H 8.40 0.02 1
57 . 10 ASP HA H 5.22 0.02 1
58 . 10 ASP HB2 H 2.56 0.02 2
59 . 10 ASP HB3 H 2.45 0.02 2
60 . 10 ASP CA C 55.5 0.2 1
61 . 10 ASP CB C 41.4 0.2 1
62 . 10 ASP N N 119.4 0.2 1
63 . 11 LEU H H 8.21 0.02 1
64 . 11 LEU HA H 5.09 0.02 1
65 . 11 LEU HB2 H 1.14 0.02 2
66 . 11 LEU HB3 H 1.08 0.02 2
67 . 11 LEU HG H 1.22 0.02 1
68 . 11 LEU HD1 H 0.76 0.02 1
69 . 11 LEU HD2 H 0.76 0.02 1
70 . 11 LEU CA C 52.9 0.2 1
71 . 11 LEU CB C 45.3 0.2 1
72 . 11 LEU CG C 24.9 0.2 1
73 . 11 LEU N N 121.3 0.2 1
74 . 12 VAL H H 8.21 0.02 1
75 . 12 VAL HA H 5.53 0.02 1
76 . 12 VAL HB H 1.77 0.02 1
77 . 12 VAL HG1 H 0.60 0.02 1
78 . 12 VAL HG2 H 0.65 0.02 1
79 . 12 VAL CA C 58.0 0.2 1
80 . 12 VAL CB C 36.2 0.2 1
81 . 12 VAL CG1 C 18.1 0.2 1
82 . 12 VAL CG2 C 20.1 0.2 1
83 . 12 VAL N N 119.6 0.2 1
84 . 13 ASN H H 9.12 0.02 1
85 . 13 ASN HA H 4.83 0.02 1
86 . 13 ASN HB2 H 3.51 0.02 2
87 . 13 ASN HB3 H 2.86 0.02 2
88 . 13 ASN HD21 H 7.75 0.02 2
89 . 13 ASN HD22 H 7.66 0.02 2
90 . 13 ASN C C 175.8 0.2 1
91 . 13 ASN CA C 50.3 0.2 1
92 . 13 ASN CB C 39.1 0.2 1
93 . 13 ASN N N 115.2 0.2 1
94 . 13 ASN ND2 N 112.0 0.2 1
95 . 14 GLU H H 9.12 0.02 1
96 . 14 GLU HA H 4.41 0.02 1
97 . 14 GLU HB2 H 1.69 0.02 1
98 . 14 GLU HB3 H 1.69 0.02 1
99 . 14 GLU HG2 H 2.00 0.02 2
100 . 14 GLU HG3 H 1.93 0.02 2
101 . 14 GLU C C 176.3 0.2 1
102 . 14 GLU CA C 59.0 0.2 1
103 . 14 GLU CB C 28.5 0.2 1
104 . 14 GLU CG C 35.7 0.2 1
105 . 14 GLU N N 113.0 0.2 1
106 . 15 ARG H H 7.62 0.02 1
107 . 15 ARG HA H 4.54 0.02 1
108 . 15 ARG HG2 H 1.52 0.02 1
109 . 15 ARG HG3 H 1.52 0.02 1
110 . 15 ARG HD2 H 3.22 0.02 1
111 . 15 ARG HD3 H 3.22 0.02 1
112 . 15 ARG CA C 55.1 0.2 1
113 . 15 ARG CB C 30.4 0.2 1
114 . 15 ARG CG C 28.0 0.2 1
115 . 15 ARG CD C 43.5 0.2 1
116 . 15 ARG N N 118.4 0.2 1
117 . 16 ASP H H 8.28 0.02 1
118 . 16 ASP HA H 3.65 0.02 1
119 . 16 ASP HB2 H 3.05 0.02 2
120 . 16 ASP HB3 H 1.77 0.02 2
121 . 16 ASP C C 175.3 0.2 1
122 . 16 ASP CA C 54.7 0.2 1
123 . 16 ASP CB C 39.7 0.2 1
124 . 16 ASP N N 118.9 0.2 1
125 . 17 GLU H H 7.33 0.02 1
126 . 17 GLU HA H 4.42 0.02 1
127 . 17 GLU HB2 H 2.10 0.02 4
128 . 17 GLU HB3 H 1.91 0.02 4
129 . 17 GLU HG2 H 1.74 0.02 4
130 . 17 GLU HG3 H 1.50 0.02 4
131 . 17 GLU CA C 53.7 0.2 1
132 . 17 GLU N N 115.1 0.2 1
133 . 18 VAL HA H 4.21 0.2 1
134 . 18 VAL HB H 1.92 0.02 1
135 . 18 VAL HG1 H 1.09 0.02 1
136 . 18 VAL HG2 H 0.96 0.02 1
137 . 18 VAL C C 178.3 0.2 1
138 . 18 VAL CA C 64.3 0.2 1
139 . 18 VAL CB C 31.7 0.2 1
140 . 18 VAL CG1 C 21.7 0.3 1
141 . 18 VAL CG2 C 22.0 0.3 1
142 . 19 VAL H H 9.29 0.02 1
143 . 19 VAL HA H 4.64 0.02 1
144 . 19 VAL HB H 2.47 0.02 1
145 . 19 VAL HG1 H 0.94 0.02 1
146 . 19 VAL HG2 H 0.60 0.02 1
147 . 19 VAL C C 175.7 0.2 1
148 . 19 VAL CA C 60.5 0.2 1
149 . 19 VAL CB C 33.3 0.2 1
150 . 19 VAL CG1 C 21.7 0.2 1
151 . 19 VAL CG2 C 17.3 0.2 1
152 . 19 VAL N N 119.3 0.2 1
153 . 20 GLY H H 7.70 0.02 1
154 . 20 GLY HA2 H 4.18 0.02 2
155 . 20 GLY HA3 H 4.04 0.02 2
156 . 20 GLY C C 171.3 0.2 1
157 . 20 GLY CA C 45.9 0.2 1
158 . 20 GLY N N 109.2 0.2 1
159 . 21 GLN H H 8.53 0.02 1
160 . 21 GLN HA H 5.47 0.02 1
161 . 21 GLN HB2 H 2.03 0.02 2
162 . 21 GLN HB3 H 1.90 0.02 2
163 . 21 GLN HG2 H 2.45 0.02 2
164 . 21 GLN HG3 H 2.34 0.02 2
165 . 21 GLN HE21 H 7.51 0.02 2
166 . 21 GLN HE22 H 6.83 0.02 2
167 . 21 GLN C C 172.7 0.2 1
168 . 21 GLN CA C 55.6 0.2 1
169 . 21 GLN CB C 34.3 0.2 1
170 . 21 GLN CG C 34.8 0.2 1
171 . 21 GLN N N 118.9 0.2 1
172 . 21 GLN NE2 N 112.0 0.2 1
173 . 22 ILE H H 9.32 0.02 1
174 . 22 ILE HA H 4.61 0.02 1
175 . 22 ILE HB H 1.52 0.03 1
176 . 22 ILE HG12 H 1.68 0.02 2
177 . 22 ILE HG13 H 1.52 0.02 2
178 . 22 ILE HG2 H 0.62 0.02 1
179 . 22 ILE HD1 H 0.75 0.02 1
180 . 22 ILE C C 172.6 0.2 1
181 . 22 ILE CA C 59.9 0.2 1
182 . 22 ILE CB C 43.6 0.2 1
183 . 22 ILE CG1 C 28.8 0.2 1
184 . 22 ILE CG2 C 15.6 0.2 1
185 . 22 ILE CD1 C 14.7 0.2 1
186 . 22 ILE N N 120.8 0.2 1
187 . 23 LEU H H 8.68 0.02 1
188 . 23 LEU HA H 4.72 0.02 1
189 . 23 LEU HB2 H 1.72 0.02 4
190 . 23 LEU HB3 H 1.52 0.02 4
191 . 23 LEU C C 178.7 0.2 1
192 . 23 LEU CA C 55.7 0.2 1
193 . 23 LEU CB C 42.5 0.2 1
194 . 23 LEU N N 125.3 0.2 1
195 . 24 ARG H H 8.63 0.02 1
196 . 24 ARG HA H 3.83 0.02 1
197 . 24 ARG HD2 H 3.22 0.02 1
198 . 24 ARG HD3 H 3.22 0.02 1
199 . 24 ARG C C 176.2 0.2 1
200 . 24 ARG CA C 58.5 0.2 1
201 . 24 ARG CB C 30.3 0.2 1
202 . 24 ARG CG C 27.5 0.2 1
203 . 24 ARG N N 120.1 0.2 1
204 . 25 THR H H 7.28 0.02 1
205 . 25 THR HA H 4.19 0.02 1
206 . 25 THR HB H 4.58 0.02 1
207 . 25 THR HG2 H 1.25 0.02 1
208 . 25 THR C C 174.6 0.2 1
209 . 25 THR CA C 60.5 0.2 1
210 . 25 THR CB C 69.2 0.2 1
211 . 25 THR CG2 C 21.9 0.2 1
212 . 25 THR N N 102.5 0.2 1
213 . 26 ASP H H 7.56 0.02 1
214 . 26 ASP HB2 H 2.83 0.02 1
215 . 26 ASP HB3 H 2.70 0.02 1
216 . 26 ASP N N 124.5 0.2 1
217 . 27 PRO HA H 4.42 0.02 1
218 . 27 PRO HB2 H 2.40 0.02 2
219 . 27 PRO HB3 H 2.04 0.02 2
220 . 27 PRO HG2 H 2.07 0.02 1
221 . 27 PRO HG3 H 2.07 0.02 1
222 . 27 PRO HD2 H 4.04 0.02 2
223 . 27 PRO HD3 H 3.88 0.02 2
224 . 27 PRO C C 177.1 0.2 1
225 . 27 PRO CA C 64.3 0.2 1
226 . 27 PRO CB C 32.3 0.2 1
227 . 27 PRO CG C 27.5 0.2 1
228 . 27 PRO CD C 51.7 0.2 1
229 . 28 ALA H H 9.22 0.02 1
230 . 28 ALA HA H 4.31 0.02 1
231 . 28 ALA HB H 1.38 0.02 1
232 . 28 ALA C C 177.4 0.2 1
233 . 28 ALA CA C 51.9 0.2 1
234 . 28 ALA CB C 18.6 0.2 1
235 . 28 ALA N N 120.4 0.2 1
236 . 29 LEU H H 7.46 0.02 1
237 . 29 LEU HA H 3.61 0.02 1
238 . 29 LEU HB2 H 1.54 0.02 2
239 . 29 LEU HB3 H 1.43 0.02 2
240 . 29 LEU HG H 0.70 0.02 1
241 . 29 LEU HD1 H 0.43 0.02 1
242 . 29 LEU HD2 H -0.23 0.02 1
243 . 29 LEU C C 175.8 0.2 1
244 . 29 LEU CA C 58.0 0.2 1
245 . 29 LEU CB C 42.0 0.2 1
246 . 29 LEU CG C 27.4 0.2 1
247 . 29 LEU CD1 C 26.0 0.2 1
248 . 29 LEU CD2 C 24.1 0.2 1
249 . 29 LEU N N 121.4 0.2 1
250 . 30 ARG H H 7.86 0.02 1
251 . 30 ARG HA H 4.61 0.02 1
252 . 30 ARG C C 176.5 0.2 1
253 . 30 ARG CA C 53.8 0.2 1
254 . 30 ARG CB C 31.7 0.2 1
255 . 30 ARG CG C 26.5 0.2 1
256 . 30 ARG N N 126.8 0.2 1
257 . 31 TRP H H 8.65 0.02 1
258 . 31 TRP HA H 4.13 0.02 1
259 . 31 TRP HB2 H 3.33 0.02 2
260 . 31 TRP HB3 H 2.99 0.02 2
261 . 31 TRP HD1 H 7.45 0.02 1
262 . 31 TRP HE1 H 10.08 0.02 1
263 . 31 TRP C C 177.4 0.2 1
264 . 31 TRP CA C 60.9 0.2 1
265 . 31 TRP CB C 28.0 0.2 1
266 . 31 TRP N N 124.3 0.2 1
267 . 31 TRP NE1 N 127.4 0.2 1
268 . 32 GLU H H 9.72 0.02 1
269 . 32 GLU HA H 4.60 0.02 1
270 . 32 GLU HB2 H 2.19 0.02 2
271 . 32 GLU HB3 H 1.98 0.02 2
272 . 32 GLU HG2 H 2.47 0.02 1
273 . 32 GLU HG3 H 2.47 0.02 1
274 . 32 GLU C C 174.9 0.2 1
275 . 32 GLU CA C 58.0 0.2 1
276 . 32 GLU CB C 27.0 0.2 1
277 . 32 GLU N N 117.7 0.2 1
278 . 33 ARG H H 7.84 0.02 1
279 . 33 ARG HA H 4.61 0.02 1
280 . 33 ARG CA C 55.1 0.2 1
281 . 33 ARG CB C 31.4 0.2 1
282 . 33 ARG N N 116.2 0.2 1
283 . 34 VAL H H 7.70 0.02 1
284 . 34 VAL HA H 5.18 0.02 1
285 . 34 VAL HB H 2.65 0.02 1
286 . 34 VAL HG1 H 0.79 0.02 1
287 . 34 VAL HG2 H 0.87 0.02 1
288 . 34 VAL C C 173.4 0.2 1
289 . 34 VAL CA C 59.4 0.2 1
290 . 34 VAL CB C 36.0 0.2 1
291 . 34 VAL CG1 C 21.7 0.2 1
292 . 34 VAL CG2 C 20.7 0.2 1
293 . 34 VAL N N 110.4 0.2 1
294 . 35 ARG H H 9.57 0.02 1
295 . 35 ARG HA H 5.45 0.02 1
296 . 35 ARG HB2 H 1.72 0.02 2
297 . 35 ARG HB3 H 1.67 0.02 2
298 . 35 ARG C C 177.2 0.2 1
299 . 35 ARG CA C 54.8 0.2 1
300 . 35 ARG CB C 34.1 0.2 1
301 . 35 ARG N N 117.6 0.2 1
302 . 36 VAL H H 9.33 0.02 1
303 . 36 VAL HA H 5.14 0.02 1
304 . 36 VAL HB H 2.23 0.02 1
305 . 36 VAL HG1 H 1.03 0.02 1
306 . 36 VAL HG2 H 0.90 0.02 1
307 . 36 VAL CA C 59.5 0.2 1
308 . 36 VAL CB C 35.6 0.2 1
309 . 36 VAL CG1 C 20.9 0.2 1
310 . 36 VAL CG2 C 20.7 0.2 1
311 . 36 VAL N N 112.7 0.2 1
312 . 37 VAL H H 8.71 0.02 1
313 . 37 VAL HA H 5.35 0.02 1
314 . 37 VAL HB H 2.21 0.02 1
315 . 37 VAL HG1 H 1.30 0.02 1
316 . 37 VAL HG2 H 1.04 0.02 1
317 . 37 VAL C C 174.2 0.2 1
318 . 37 VAL CA C 59.4 0.2 1
319 . 37 VAL CB C 35.9 0.2 1
320 . 37 VAL CG1 C 23.6 0.2 1
321 . 37 VAL CG2 C 20.0 0.2 1
322 . 37 VAL N N 110.5 0.2 1
323 . 38 ASN H H 8.06 0.02 1
324 . 38 ASN HA H 5.66 0.02 1
325 . 38 ASN HB2 H 2.18 0.02 1
326 . 38 ASN HB3 H 2.18 0.02 1
327 . 38 ASN HD21 H 7.35 0.02 2
328 . 38 ASN HD22 H 6.67 0.02 2
329 . 38 ASN C C 173.7 0.2 1
330 . 38 ASN CA C 52.4 0.2 1
331 . 38 ASN CB C 46.3 0.2 1
332 . 38 ASN N N 117.6 0.2 1
333 . 38 ASN ND2 N 110.0 0.2 1
334 . 39 ALA H H 9.16 0.02 1
335 . 39 ALA HA H 5.50 0.02 1
336 . 39 ALA HB H 1.20 0.02 1
337 . 39 ALA C C 174.4 0.2 1
338 . 39 ALA CA C 50.5 0.2 1
339 . 39 ALA CB C 24.7 0.2 1
340 . 39 ALA N N 120.0 0.2 1
341 . 40 PHE H H 8.49 0.02 1
342 . 40 PHE HA H 5.12 0.02 1
343 . 40 PHE HB2 H 3.16 0.02 1
344 . 40 PHE HB3 H 3.16 0.02 1
345 . 40 PHE HD1 H 7.24 0.02 1
346 . 40 PHE HD2 H 7.24 0.02 1
347 . 40 PHE HE1 H 7.05 0.02 1
348 . 40 PHE HE2 H 7.05 0.02 1
349 . 40 PHE C C 174.3 0.2 1
350 . 40 PHE CA C 56.6 0.2 1
351 . 40 PHE CB C 43.5 0.2 1
352 . 40 PHE N N 114.9 0.2 1
353 . 41 LEU H H 9.14 0.02 1
354 . 41 LEU HA H 5.40 0.02 1
355 . 41 LEU HB2 H 2.24 0.02 2
356 . 41 LEU HB3 H 1.41 0.02 2
357 . 41 LEU HD1 H 0.99 0.02 1
358 . 41 LEU HD2 H 0.81 0.02 1
359 . 41 LEU C C 173.9 0.2 1
360 . 41 LEU CA C 54.3 0.2 1
361 . 41 LEU CB C 44.4 0.2 1
362 . 41 LEU N N 123.9 0.2 1
363 . 42 ARG H H 9.39 0.02 1
364 . 42 ARG HA H 6.04 0.02 1
365 . 42 ARG HB2 H 1.74 0.02 2
366 . 42 ARG HB3 H 1.56 0.02 2
367 . 42 ARG C C 175.8 0.2 1
368 . 42 ARG CA C 54.6 0.2 1
369 . 42 ARG CB C 35.2 0.2 1
370 . 42 ARG CG C 27.0 0.2 1
371 . 42 ARG CD C 44.5 0.2 1
372 . 42 ARG N N 127.4 0.2 1
373 . 43 ASN H H 9.01 0.02 1
374 . 43 ASN HA H 5.05 0.02 1
375 . 43 ASN HB2 H 3.43 0.02 2
376 . 43 ASN HB3 H 2.68 0.02 2
377 . 43 ASN HD21 H 7.15 0.02 2
378 . 43 ASN HD22 H 5.96 0.02 2
379 . 43 ASN C C 178.9 0.2 1
380 . 43 ASN CA C 51.3 0.2 1
381 . 43 ASN CB C 39.6 0.2 1
382 . 43 ASN N N 125.0 0.2 1
383 . 43 ASN ND2 N 110.6 0.2 1
384 . 44 SER H H 9.47 0.02 1
385 . 44 SER CA C 61.1 0.2 1
386 . 44 SER CB C 62.9 0.2 1
387 . 44 SER N N 113.9 0.2 1
388 . 45 GLN H H 7.46 0.02 1
389 . 45 GLN HA H 4.42 0.02 1
390 . 45 GLN HB2 H 2.18 0.02 2
391 . 45 GLN HB3 H 1.80 0.02 2
392 . 45 GLN HE21 H 7.51 0.2 1
393 . 45 GLN HE22 H 6.60 0.2 1
394 . 45 GLN C C 175.9 0.2 1
395 . 45 GLN CA C 55.6 0.2 1
396 . 45 GLN CB C 29.4 0.2 1
397 . 45 GLN CG C 34.3 0.2 1
398 . 45 GLN N N 118.0 0.2 1
399 . 45 GLN NE2 N 110.4 0.2 1
400 . 46 GLY H H 8.06 0.02 1
401 . 46 GLY HA2 H 4.22 0.02 2
402 . 46 GLY HA3 H 3.54 0.02 2
403 . 46 GLY C C 174.6 0.2 1
404 . 46 GLY CA C 45.2 0.2 1
405 . 46 GLY N N 106.6 0.2 1
406 . 47 GLN H H 8.11 0.02 1
407 . 47 GLN HA H 4.61 0.02 1
408 . 47 GLN HE21 H 7.18 0.02 2
409 . 47 GLN HE22 H 6.73 0.02 2
410 . 47 GLN C C 174.1 0.2 1
411 . 47 GLN CA C 55.2 0.2 1
412 . 47 GLN CB C 30.8 0.2 1
413 . 47 GLN CG C 34.3 0.2 1
414 . 47 GLN N N 117.1 0.2 1
415 . 48 LEU H H 9.22 0.02 1
416 . 48 LEU HA H 5.76 0.02 1
417 . 48 LEU HG H 1.46 0.02 1
418 . 48 LEU HD1 H 0.38 0.02 1
419 . 48 LEU HD2 H 0.26 0.02 1
420 . 48 LEU C C 176.6 0.2 1
421 . 48 LEU CA C 51.9 0.2 1
422 . 48 LEU CB C 44.4 0.2 1
423 . 48 LEU CG C 27.5 0.2 1
424 . 48 LEU CD1 C 21.7 0.2 1
425 . 48 LEU CD2 C 25.2 0.2 1
426 . 48 LEU N N 119.3 0.2 1
427 . 49 TRP H H 8.68 0.02 1
428 . 49 TRP HA H 3.99 0.02 1
429 . 49 TRP HB2 H 2.34 0.02 1
430 . 49 TRP HB3 H 2.34 0.02 1
431 . 49 TRP HE1 H 9.98 0.02 1
432 . 49 TRP HZ2 H 6.97 0.02 1
433 . 49 TRP C C 174.3 0.2 1
434 . 49 TRP CA C 59.4 0.2 1
435 . 49 TRP CB C 26.6 0.2 1
436 . 49 TRP CZ2 C 112.8 0.2 1
437 . 49 TRP N N 123.6 0.2 1
438 . 49 TRP NE1 N 128.4 0.2 1
439 . 50 ILE H H 8.44 0.02 1
440 . 50 ILE HA H 4.69 0.02 1
441 . 50 ILE HB H 1.96 0.02 1
442 . 50 ILE HG12 H 1.74 0.02 1
443 . 50 ILE HG13 H 1.20 0.02 1
444 . 50 ILE HG2 H 1.03 0.02 1
445 . 50 ILE HD1 H 0.88 0.02 1
446 . 50 ILE CA C 53.9 0.2 1
447 . 50 ILE CB C 36.9 0.2 1
448 . 50 ILE CG1 C 25.9 0.2 1
449 . 50 ILE CG2 C 17.5 0.2 1
450 . 50 ILE CD1 C 8.9 0.2 1
451 . 50 ILE N N 131.4 0.2 1
452 . 53 ARG HA H 4.35 0.02 1
453 . 53 ARG C C 175.9 0.2 1
454 . 53 ARG CA C 56.6 0.2 1
455 . 53 ARG CB C 30.9 0.2 1
456 . 53 ARG CG C 27.0 0.2 1
457 . 53 ARG CD C 43.5 0.2 1
458 . 54 SER H H 8.02 0.02 1
459 . 54 SER HA H 4.53 0.02 1
460 . 54 SER HB2 H 3.90 0.02 2
461 . 54 SER HB3 H 3.55 0.02 2
462 . 54 SER CA C 56.7 0.2 1
463 . 54 SER CB C 63.2 0.2 1
464 . 54 SER N N 115.6 0.2 1
465 . 55 PRO HA H 4.40 0.02 1
466 . 55 PRO HB2 H 2.42 0.02 2
467 . 55 PRO HB3 H 2.06 0.02 2
468 . 55 PRO C C 176.7 0.2 1
469 . 55 PRO CA C 64.3 0.2 1
470 . 55 PRO CB C 31.8 0.2 1
471 . 55 PRO CG C 27.5 0.2 1
472 . 55 PRO CD C 51.7 0.2 1
473 . 56 SER H H 7.90 0.02 1
474 . 56 SER HA H 4.36 0.02 1
475 . 56 SER HB2 H 4.04 0.02 2
476 . 56 SER HB3 H 3.88 0.02 2
477 . 56 SER C C 175.1 0.2 1
478 . 56 SER CA C 58.5 0.2 1
479 . 56 SER CB C 63.8 0.2 1
480 . 56 SER N N 109.9 0.2 1
481 . 57 LYS H H 7.34 0.02 1
482 . 57 LYS N N 120.8 0.2 1
483 . 62 ASN HA H 4.48 0.02 1
484 . 62 ASN HB2 H 3.01 0.02 2
485 . 62 ASN HB3 H 2.86 0.02 2
486 . 62 ASN HD21 H 7.51 0.02 2
487 . 62 ASN HD22 H 6.90 0.02 2
488 . 62 ASN C C 173.3 0.2 1
489 . 62 ASN CA C 54.7 0.2 1
490 . 62 ASN CB C 38.8 0.2 1
491 . 62 ASN ND2 N 112.3 0.2 1
492 . 63 ALA H H 7.04 0.02 1
493 . 63 ALA HA H 4.36 0.02 1
494 . 63 ALA HB H 1.20 0.02 1
495 . 63 ALA C C 176.7 0.2 1
496 . 63 ALA CA C 51.2 0.2 1
497 . 63 ALA CB C 21.7 0.2 1
498 . 63 ALA N N 120.0 0.2 1
499 . 64 LEU H H 8.44 0.02 1
500 . 64 LEU HA H 4.62 0.02 1
501 . 64 LEU HB2 H 1.14 0.02 2
502 . 64 LEU HB3 H 1.03 0.02 2
503 . 64 LEU HG H 1.80 0.02 1
504 . 64 LEU HD1 H 0.56 0.02 1
505 . 64 LEU HD2 H 0.58 0.02 1
506 . 64 LEU C C 175.2 0.2 1
507 . 64 LEU CA C 55.6 0.2 1
508 . 64 LEU CB C 42.5 0.2 1
509 . 64 LEU CG C 26.8 0.2 1
510 . 64 LEU CD1 C 25.1 0.2 1
511 . 64 LEU CD2 C 21.7 0.2 1
512 . 64 LEU N N 120.5 0.2 1
513 . 65 ASP H H 7.97 0.02 1
514 . 65 ASP HA H 4.96 0.02 1
515 . 65 ASP HB2 H 2.79 0.02 2
516 . 65 ASP HB3 H 2.21 0.02 2
517 . 65 ASP C C 174.4 0.2 1
518 . 65 ASP CA C 51.9 0.2 1
519 . 65 ASP CB C 46.3 0.2 1
520 . 65 ASP N N 120.4 0.2 1
521 . 66 VAL H H 8.18 0.02 1
522 . 66 VAL HA H 3.78 0.02 1
523 . 66 VAL HB H 1.77 0.02 1
524 . 66 VAL HG1 H 0.62 0.02 1
525 . 66 VAL HG2 H 0.70 0.02 1
526 . 66 VAL C C 175.0 0.2 1
527 . 66 VAL CA C 60.9 0.2 1
528 . 66 VAL CB C 31.4 0.2 1
529 . 66 VAL CG1 C 22.2 0.2 1
530 . 66 VAL CG2 C 18.2 0.2 1
531 . 66 VAL N N 106.9 0.2 1
532 . 67 SER H H 6.79 0.02 1
533 . 67 SER CA C 62.9 0.2 1
534 . 67 SER N N 111.5 0.2 1
535 . 68 VAL H H 7.52 0.02 1
536 . 68 VAL HA H 4.36 0.02 1
537 . 68 VAL HB H 2.06 0.02 1
538 . 68 VAL HG1 H 0.75 0.02 1
539 . 68 VAL HG2 H 0.86 0.02 1
540 . 68 VAL C C 172.7 0.2 1
541 . 68 VAL CA C 60.5 0.2 1
542 . 68 VAL CB C 34.2 0.2 1
543 . 68 VAL CG1 C 20.2 0.2 1
544 . 68 VAL CG2 C 22.8 0.2 1
545 . 68 VAL N N 110.1 0.2 1
546 . 69 GLY H H 8.38 0.02 1
547 . 69 GLY HA2 H 4.46 0.02 2
548 . 69 GLY HA3 H 4.07 0.02 2
549 . 69 GLY C C 172.0 0.2 1
550 . 69 GLY CA C 46.4 0.2 1
551 . 69 GLY N N 113.0 0.2 1
552 . 70 GLY H H 8.25 0.02 1
553 . 70 GLY C C 171.9 0.2 1
554 . 70 GLY CA C 45.5 0.2 1
555 . 70 GLY N N 108.8 0.2 1
556 . 71 ALA H H 8.57 0.02 1
557 . 71 ALA HA H 4.83 0.02 1
558 . 71 ALA HB H 1.61 0.02 1
559 . 71 ALA C C 177.1 0.2 1
560 . 71 ALA CA C 52.7 0.2 1
561 . 71 ALA CB C 19.2 0.2 1
562 . 71 ALA N N 120.5 0.2 1
563 . 72 VAL H H 8.41 0.02 1
564 . 72 VAL HA H 3.73 0.02 1
565 . 72 VAL HB H 1.87 0.02 1
566 . 72 VAL HG1 H 0.81 0.02 1
567 . 72 VAL HG2 H 0.81 0.02 1
568 . 72 VAL C C 177.4 0.2 1
569 . 72 VAL CA C 62.4 0.2 1
570 . 72 VAL CB C 32.3 0.2 1
571 . 72 VAL CG1 C 22.6 0.2 1
572 . 72 VAL CG2 C 22.6 0.2 1
573 . 72 VAL N N 123.4 0.2 1
574 . 73 GLN H H 9.25 0.02 1
575 . 73 GLN HA H 4.39 0.02 1
576 . 73 GLN HB2 H 2.21 0.02 2
577 . 73 GLN HB3 H 1.73 0.02 2
578 . 73 GLN HG2 H 2.53 0.02 2
579 . 73 GLN HG3 H 2.34 0.02 2
580 . 73 GLN HE21 H 7.32 0.02 2
581 . 73 GLN HE22 H 6.91 0.02 2
582 . 73 GLN C C 176.2 0.2 1
583 . 73 GLN CA C 56.1 0.2 1
584 . 73 GLN CB C 28.9 0.2 1
585 . 73 GLN CG C 34.3 0.2 1
586 . 73 GLN N N 128.0 0.2 1
587 . 73 GLN NE2 N 109.0 0.2 1
588 . 74 SER H H 8.56 0.02 1
589 . 74 SER HA H 4.18 0.02 1
590 . 74 SER HB2 H 3.49 0.02 2
591 . 74 SER HB3 H 3.33 0.02 2
592 . 74 SER C C 177.1 0.2 1
593 . 74 SER CA C 59.5 0.2 1
594 . 74 SER CB C 62.9 0.2 1
595 . 74 SER N N 112.0 0.2 1
596 . 75 GLY H H 9.19 0.02 1
597 . 75 GLY HA2 H 4.29 0.02 2
598 . 75 GLY HA3 H 3.76 0.02 2
599 . 75 GLY C C 174.1 0.02 1
600 . 75 GLY CA C 45.4 0.2 1
601 . 75 GLY N N 115.9 0.2 1
602 . 76 GLU H H 8.31 0.02 1
603 . 76 GLU HA H 4.58 0.02 1
604 . 76 GLU C C 177.8 0.2 1
605 . 76 GLU CA C 56.1 0.2 1
606 . 76 GLU CB C 32.3 0.2 1
607 . 76 GLU CG C 37.7 0.2 1
608 . 76 GLU N N 120.6 0.2 1
609 . 77 THR H H 8.19 0.02 1
610 . 77 THR HA H 4.61 0.02 1
611 . 77 THR HB H 4.84 0.02 1
612 . 77 THR HG2 H 1.38 0.02 1
613 . 77 THR C C 176.1 0.2 1
614 . 77 THR CA C 60.0 0.2 1
615 . 77 THR CB C 71.6 0.2 1
616 . 77 THR CG2 C 22.0 0.2 1
617 . 77 THR N N 111.0 0.2 1
618 . 78 TYR H H 7.78 0.02 1
619 . 78 TYR HA H 4.11 0.02 1
620 . 78 TYR HB2 H 3.36 0.02 2
621 . 78 TYR HB3 H 2.99 0.02 2
622 . 78 TYR HD1 H 7.27 0.02 1
623 . 78 TYR HD2 H 7.27 0.02 1
624 . 78 TYR HE1 H 7.00 0.02 1
625 . 78 TYR HE2 H 7.00 0.02 1
626 . 78 TYR C C 177.5 0.2 1
627 . 78 TYR CA C 63.4 0.2 1
628 . 78 TYR CB C 38.6 0.2 1
629 . 78 TYR CD1 C 134.1 0.2 1
630 . 78 TYR CD2 C 134.1 0.2 1
631 . 78 TYR CE1 C 118.4 0.2 1
632 . 78 TYR CE2 C 118.4 0.2 1
633 . 78 TYR N N 116.6 0.2 1
634 . 79 GLU H H 8.41 0.02 1
635 . 79 GLU HA H 3.77 0.02 1
636 . 79 GLU C C 178.7 0.2 1
637 . 79 GLU CA C 60.5 0.2 1
638 . 79 GLU CB C 30.4 0.2 1
639 . 79 GLU CG C 37.7 0.2 1
640 . 79 GLU N N 116.7 0.2 1
641 . 80 GLU H H 7.83 0.02 1
642 . 80 GLU HA H 3.86 0.02 1
643 . 80 GLU HB2 H 2.00 0.02 2
644 . 80 GLU HB3 H 1.90 0.02 2
645 . 80 GLU HG2 H 2.34 0.02 2
646 . 80 GLU HG3 H 2.26 0.02 2
647 . 80 GLU C C 179.8 0.2 1
648 . 80 GLU CA C 59.4 0.2 1
649 . 80 GLU CB C 30.3 0.2 1
650 . 80 GLU CG C 37.2 0.2 1
651 . 80 GLU N N 117.2 0.2 1
652 . 81 ALA H H 8.24 0.02 1
653 . 81 ALA HA H 4.17 0.02 1
654 . 81 ALA HB H 1.71 0.02 1
655 . 81 ALA C C 178.5 0.2 1
656 . 81 ALA CA C 55.6 0.2 1
657 . 81 ALA CB C 20.8 0.2 1
658 . 81 ALA N N 122.8 0.2 1
659 . 82 PHE H H 8.34 0.02 1
660 . 82 PHE HA H 3.77 0.02 1
661 . 82 PHE HB2 H 2.87 0.02 2
662 . 82 PHE HB3 H 2.76 0.02 2
663 . 82 PHE CA C 58.5 0.2 1
664 . 82 PHE CB C 38.6 0.2 1
665 . 82 PHE N N 118.2 0.2 1
666 . 83 ARG H H 8.06 0.02 1
667 . 83 ARG HA H 3.76 0.02 1
668 . 83 ARG HD2 H 3.04 0.02 1
669 . 83 ARG HD3 H 3.04 0.02 1
670 . 83 ARG C C 178.7 0.2 1
671 . 83 ARG CA C 60.0 0.2 1
672 . 83 ARG CB C 30.4 0.2 1
673 . 83 ARG CG C 27.5 0.2 1
674 . 83 ARG CD C 39.1 0.2 1
675 . 83 ARG N N 117.6 0.2 1
676 . 84 ARG H H 8.02 0.02 1
677 . 84 ARG HA H 3.95 0.02 1
678 . 84 ARG HD2 H 3.00 0.02 1
679 . 84 ARG HD3 H 3.00 0.02 1
680 . 84 ARG C C 178.2 0.2 1
681 . 84 ARG CA C 60.0 0.2 1
682 . 84 ARG CB C 29.4 0.2 1
683 . 84 ARG N N 118.7 0.2 1
684 . 85 GLU H H 8.93 0.02 1
685 . 85 GLU HA H 4.19 0.02 1
686 . 85 GLU HB2 H 1.92 0.02 2
687 . 85 GLU HB3 H 1.78 0.02 2
688 . 85 GLU C C 178.9 0.2 1
689 . 85 GLU CA C 59.0 0.2 1
690 . 85 GLU CB C 28.9 0.2 1
691 . 85 GLU CG C 34.3 0.2 1
692 . 85 GLU N N 118.0 0.2 1
693 . 86 ALA H H 8.63 0.02 1
694 . 86 ALA HA H 3.71 0.02 1
695 . 86 ALA HB H 0.91 0.02 1
696 . 86 ALA C C 179.9 0.2 1
697 . 86 ALA CA C 56.1 0.2 1
698 . 86 ALA CB C 17.3 0.2 1
699 . 86 ALA N N 116.1 0.2 1
700 . 87 ARG H H 7.24 0.02 1
701 . 87 ARG HA H 4.07 0.02 1
702 . 87 ARG C C 178.9 0.2 1
703 . 87 ARG CA C 59.9 0.2 1
704 . 87 ARG CB C 30.3 0.2 1
705 . 87 ARG CG C 27.5 0.2 1
706 . 87 ARG CD C 43.5 0.2 1
707 . 87 ARG N N 117.7 0.2 1
708 . 88 GLU H H 8.56 0.02 1
709 . 88 GLU HA H 4.02 0.02 1
710 . 88 GLU HB2 H 2.13 0.02 1
711 . 88 GLU HB3 H 2.13 0.02 1
712 . 88 GLU HG2 H 2.47 0.02 2
713 . 88 GLU HG3 H 2.35 0.02 2
714 . 88 GLU C C 178.9 0.2 1
715 . 88 GLU CA C 59.5 0.2 1
716 . 88 GLU CB C 30.4 0.2 1
717 . 88 GLU CG C 36.7 0.2 1
718 . 88 GLU N N 117.5 0.2 1
719 . 89 GLU H H 8.91 0.02 1
720 . 89 GLU HA H 4.72 0.02 1
721 . 89 GLU HB2 H 2.21 0.02 1
722 . 89 GLU HB3 H 2.21 0.02 1
723 . 89 GLU HG2 H 2.79 0.02 2
724 . 89 GLU HG3 H 2.63 0.02 2
725 . 89 GLU C C 177.4 0.2 1
726 . 89 GLU CA C 58.0 0.2 1
727 . 89 GLU CB C 30.4 0.2 1
728 . 89 GLU CG C 34.8 0.2 1
729 . 89 GLU N N 112.7 0.2 1
730 . 90 LEU H H 7.02 0.02 1
731 . 90 LEU HA H 4.70 0.02 1
732 . 90 LEU HB2 H 1.94 0.02 2
733 . 90 LEU HB3 H 1.56 0.02 2
734 . 90 LEU C C 174.6 0.2 1
735 . 90 LEU CA C 53.3 0.2 1
736 . 90 LEU CB C 43.9 0.2 1
737 . 90 LEU CG C 26.0 0.2 1
738 . 90 LEU N N 111.6 0.2 1
739 . 91 ASN H H 7.58 0.02 1
740 . 91 ASN HA H 4.66 0.02 1
741 . 91 ASN HB2 H 2.92 0.02 1
742 . 91 ASN HB3 H 2.92 0.02 1
743 . 91 ASN HD21 H 7.70 0.02 2
744 . 91 ASN HD22 H 6.82 0.02 2
745 . 91 ASN C C 174.1 0.2 1
746 . 91 ASN CA C 55.1 0.2 1
747 . 91 ASN CB C 38.1 0.2 1
748 . 91 ASN N N 112.7 0.2 1
749 . 91 ASN ND2 N 113.6 0.2 1
750 . 92 VAL H H 7.28 0.02 1
751 . 92 VAL HA H 4.31 0.02 1
752 . 92 VAL HB H 1.63 0.02 1
753 . 92 VAL HG1 H 0.65 0.02 1
754 . 92 VAL HG2 H 0.62 0.02 1
755 . 92 VAL C C 174.5 0.2 1
756 . 92 VAL CA C 60.5 0.2 1
757 . 92 VAL CB C 35.2 0.2 1
758 . 92 VAL CG1 C 21.3 0.2 1
759 . 92 VAL CG2 C 20.5 0.2 1
760 . 92 VAL N N 111.5 0.2 1
761 . 93 GLU H H 8.18 0.02 1
762 . 93 GLU HA H 4.30 0.02 1
763 . 93 GLU HB2 H 2.06 0.02 2
764 . 93 GLU HB3 H 1.87 0.02 2
765 . 93 GLU HG2 H 2.20 0.02 2
766 . 93 GLU HG3 H 2.16 0.02 2
767 . 93 GLU C C 177.4 0.2 1
768 . 93 GLU CA C 53.7 0.2 1
769 . 93 GLU CB C 29.4 0.2 1
770 . 93 GLU CG C 35.2 0.2 1
771 . 93 GLU N N 123.8 0.2 1
772 . 94 ILE H H 7.86 0.02 1
773 . 94 ILE HA H 3.58 0.02 1
774 . 94 ILE HB H 1.22 0.02 1
775 . 94 ILE HG12 H 1.03 0.02 2
776 . 94 ILE HG13 H 0.54 0.02 2
777 . 94 ILE HG2 H -0.05 0.02 1
778 . 94 ILE HD1 H -0.62 0.02 1
779 . 94 ILE C C 176.6 0.2 1
780 . 94 ILE CA C 65.8 0.2 1
781 . 94 ILE CB C 36.7 0.2 1
782 . 94 ILE CG1 C 25.5 0.2 1
783 . 94 ILE CG2 C 18.0 0.2 1
784 . 94 ILE CD1 C 14.1 0.2 1
785 . 94 ILE N N 118.7 0.2 1
786 . 95 ASP H H 8.35 0.02 1
787 . 95 ASP HA H 4.78 0.02 1
788 . 95 ASP HB2 H 2.92 0.02 2
789 . 95 ASP HB3 H 2.55 0.02 2
790 . 95 ASP C C 176.6 0.2 1
791 . 95 ASP CA C 56.1 0.2 1
792 . 95 ASP CB C 40.6 0.2 1
793 . 95 ASP N N 116.1 0.2 1
794 . 96 ALA H H 7.80 0.02 1
795 . 96 ALA HA H 4.55 0.02 1
796 . 96 ALA HB H 1.56 0.02 1
797 . 96 ALA C C 176.9 0.2 1
798 . 96 ALA CA C 51.9 0.2 1
799 . 96 ALA CB C 19.6 0.2 1
800 . 96 ALA N N 119.9 0.2 1
801 . 97 LEU H H 7.72 0.02 1
802 . 97 LEU HA H 4.87 0.02 1
803 . 97 LEU HB2 H 1.90 0.02 2
804 . 97 LEU HB3 H 1.76 0.02 2
805 . 97 LEU HG H 1.78 0.02 1
806 . 97 LEU HD1 H 0.89 0.02 1
807 . 97 LEU HD2 H 1.04 0.02 1
808 . 97 LEU C C 175.3 0.2 1
809 . 97 LEU CA C 51.0 0.2 1
810 . 97 LEU CB C 44.3 0.2 1
811 . 97 LEU CG C 27.5 0.2 1
812 . 97 LEU CD1 C 26.1 0.2 1
813 . 97 LEU CD2 C 23.6 0.2 1
814 . 97 LEU N N 119.6 0.2 1
815 . 98 SER H H 8.38 0.02 1
816 . 98 SER HA H 4.47 0.02 1
817 . 98 SER HB2 H 3.96 0.02 2
818 . 98 SER HB3 H 3.90 0.02 2
819 . 98 SER C C 173.3 0.2 1
820 . 98 SER CA C 58.2 0.2 1
821 . 98 SER CB C 63.8 0.2 1
822 . 98 SER N N 113.0 0.2 1
823 . 99 TRP H H 8.15 0.02 1
824 . 99 TRP HA H 5.89 0.02 1
825 . 99 TRP HB2 H 3.62 0.02 2
826 . 99 TRP HB3 H 3.38 0.02 2
827 . 99 TRP HD1 H 6.97 0.02 1
828 . 99 TRP HE1 H 9.99 0.02 1
829 . 99 TRP C C 174.6 0.2 1
830 . 99 TRP CA C 55.2 0.2 1
831 . 99 TRP CB C 33.2 0.2 1
832 . 99 TRP N N 121.8 0.2 1
833 . 99 TRP NE1 N 129.4 0.2 1
834 . 100 ARG H H 9.25 0.02 1
835 . 100 ARG HA H 4.97 0.02 1
836 . 100 ARG HB2 H 1.87 0.02 1
837 . 100 ARG HB3 H 1.87 0.02 1
838 . 100 ARG HG2 H 1.46 0.02 1
839 . 100 ARG HG3 H 1.46 0.02 1
840 . 100 ARG HD2 H 3.20 0.02 2
841 . 100 ARG HD3 H 3.10 0.02 2
842 . 100 ARG CA C 53.7 0.2 1
843 . 100 ARG CB C 30.9 0.2 1
844 . 100 ARG N N 114.5 0.2 1
845 . 101 PRO HA H 4.63 0.02 1
846 . 101 PRO HB2 H 2.13 0.02 1
847 . 101 PRO HB3 H 1.84 0.02 1
848 . 101 PRO C C 176.2 0.2 1
849 . 101 PRO CA C 62.9 0.2 1
850 . 101 PRO CB C 31.4 0.2 1
851 . 102 LEU H H 9.51 0.02 1
852 . 102 LEU HA H 4.35 0.02 1
853 . 102 LEU HB2 H 1.41 0.02 2
854 . 102 LEU HB3 H 1.33 0.02 2
855 . 102 LEU HG H 1.34 0.02 1
856 . 102 LEU HD1 H 0.91 0.02 2
857 . 102 LEU HD2 H 0.78 0.02 2
858 . 102 LEU C C 177.0 0.2 1
859 . 102 LEU CA C 56.1 0.2 1
860 . 102 LEU CB C 44.5 0.2 1
861 . 102 LEU CG C 25.0 0.2 1
862 . 102 LEU CD1 C 22.6 0.2 1
863 . 102 LEU CD2 C 22.6 0.2 1
864 . 102 LEU N N 123.5 0.2 1
865 . 103 ALA H H 7.26 0.02 1
866 . 103 ALA HA H 4.11 0.02 1
867 . 103 ALA HB H 0.62 0.02 1
868 . 103 ALA C C 174.7 0.2 1
869 . 103 ALA CA C 51.9 0.2 1
870 . 103 ALA CB C 23.3 0.2 1
871 . 103 ALA N N 115.7 0.2 1
872 . 104 SER H H 7.67 0.02 1
873 . 104 SER HA H 4.88 0.02 1
874 . 104 SER HB2 H 3.71 0.02 2
875 . 104 SER HB3 H 3.60 0.02 2
876 . 104 SER C C 172.6 0.2 1
877 . 104 SER CA C 57.1 0.2 1
878 . 104 SER CB C 64.8 0.2 1
879 . 104 SER N N 113.2 0.2 1
880 . 105 PHE H H 8.56 0.02 1
881 . 105 PHE HA H 5.45 0.02 1
882 . 105 PHE HB2 H 3.01 0.02 2
883 . 105 PHE HB3 H 2.37 0.02 2
884 . 105 PHE C C 174.1 0.2 1
885 . 105 PHE CA C 56.1 0.2 1
886 . 105 PHE CB C 45.3 0.2 1
887 . 105 PHE N N 118.0 0.2 1
888 . 106 SER H H 8.38 0.02 1
889 . 106 SER HA H 4.73 0.02 1
890 . 106 SER HB2 H 3.70 0.02 1
891 . 106 SER HB3 H 3.70 0.02 1
892 . 106 SER CA C 58.0 0.2 1
893 . 106 SER CB C 63.8 0.2 1
894 . 106 SER N N 113.0 0.2 1
895 . 107 PRO HA H 4.01 0.02 1
896 . 107 PRO HB2 H 1.41 0.02 1
897 . 107 PRO HB3 H 1.41 0.02 1
898 . 107 PRO CA C 63.8 0.2 1
899 . 107 PRO CB C 31.4 0.2 1
900 . 108 PHE H H 7.83 0.02 1
901 . 108 PHE HA H 3.49 0.02 1
902 . 108 PHE C C 175.9 0.2 1
903 . 108 PHE CA C 58.5 0.2 1
904 . 108 PHE CB C 37.7 0.2 1
905 . 108 PHE N N 115.1 0.2 1
906 . 109 GLN H H 7.05 0.02 1
907 . 109 GLN HA H 4.70 0.02 1
908 . 109 GLN HB2 H 2.13 0.02 1
909 . 109 GLN HB3 H 2.13 0.02 1
910 . 109 GLN HG2 H 2.43 0.02 1
911 . 109 GLN HG3 H 2.43 0.02 1
912 . 109 GLN HE21 H 7.59 0.02 2
913 . 109 GLN HE22 H 7.00 0.02 2
914 . 109 GLN C C 174.5 0.2 1
915 . 109 GLN CA C 55.6 0.2 1
916 . 109 GLN CB C 31.8 0.2 1
917 . 109 GLN CG C 33.8 0.2 1
918 . 109 GLN N N 115.7 0.2 1
919 . 109 GLN NE2 N 111.2 0.2 1
920 . 110 THR H H 7.30 0.02 1
921 . 110 THR HA H 4.70 0.02 1
922 . 110 THR HB H 4.19 0.02 1
923 . 110 THR HG2 H 1.15 0.02 1
924 . 110 THR C C 173.3 0.2 1
925 . 110 THR CA C 60.5 0.2 1
926 . 110 THR CB C 72.6 0.2 1
927 . 110 THR CG2 C 21.6 0.2 1
928 . 110 THR N N 109.9 0.2 1
929 . 111 THR H H 8.57 0.02 1
930 . 111 THR HA H 4.81 0.02 1
931 . 111 THR HB H 4.71 0.02 1
932 . 111 THR HG2 H 1.06 0.02 1
933 . 111 THR C C 174.8 0.2 1
934 . 111 THR CA C 60.5 0.2 1
935 . 111 THR CB C 66.8 0.2 1
936 . 111 THR CG2 C 21.7 0.2 1
937 . 111 THR N N 106.7 0.2 1
938 . 112 LEU H H 7.50 0.02 1
939 . 112 LEU HA H 4.13 0.02 1
940 . 112 LEU HB2 H 1.32 0.02 4
941 . 112 LEU HB3 H 1.32 0.02 4
942 . 112 LEU HG H 1.31 0.02 4
943 . 112 LEU HD1 H 0.36 0.02 1
944 . 112 LEU HD2 H 0.65 0.02 1
945 . 112 LEU C C 179.2 0.2 1
946 . 112 LEU CA C 54.7 0.2 1
947 . 112 LEU CB C 43.0 0.2 1
948 . 112 LEU CG C 27.2 0.2 1
949 . 112 LEU CD1 C 26.7 0.2 1
950 . 112 LEU CD2 C 25.1 0.2 1
951 . 112 LEU N N 120.3 0.2 1
952 . 113 SER H H 8.72 0.02 1
953 . 113 SER HA H 3.88 0.02 1
954 . 113 SER HB2 H 3.72 0.02 1
955 . 113 SER HB3 H 3.72 0.02 1
956 . 113 SER C C 174.5 0.2 1
957 . 113 SER CA C 61.9 0.2 1
958 . 113 SER CB C 63.8 0.2 1
959 . 113 SER N N 112.5 0.2 1
960 . 114 SER H H 6.42 0.02 1
961 . 114 SER HA H 5.21 0.02 1
962 . 114 SER HB2 H 4.79 0.02 2
963 . 114 SER HB3 H 3.30 0.02 2
964 . 114 SER C C 173.8 0.2 1
965 . 114 SER CA C 57.6 0.2 1
966 . 114 SER CB C 70.7 0.2 1
967 . 114 SER N N 111.9 0.2 1
968 . 115 PHE H H 7.97 0.02 1
969 . 115 PHE HA H 4.67 0.02 1
970 . 115 PHE HB2 H 3.50 0.02 2
971 . 115 PHE HB3 H 3.07 0.02 2
972 . 115 PHE C C 177.2 0.2 1
973 . 115 PHE CA C 61.5 0.2 1
974 . 115 PHE CB C 40.2 0.2 1
975 . 115 PHE N N 118.6 0.2 1
976 . 116 MET H H 8.49 0.02 1
977 . 116 MET HA H 6.35 0.02 1
978 . 116 MET HB2 H 2.31 0.02 2
979 . 116 MET HB3 H 1.56 0.02 2
980 . 116 MET HG2 H 2.62 0.02 2
981 . 116 MET HG3 H 2.18 0.02 2
982 . 116 MET HE H 1.93 0.02 1
983 . 116 MET C C 175.3 0.2 1
984 . 116 MET CA C 55.1 0.2 1
985 . 116 MET CB C 37.7 0.2 1
986 . 116 MET CG C 30.7 0.2 1
987 . 116 MET CE C 16.7 0.2 1
988 . 116 MET N N 113.2 0.2 1
989 . 117 CYS H H 7.04 0.02 1
990 . 117 CYS HA H 4.62 0.02 1
991 . 117 CYS HB2 H 2.23 0.02 2
992 . 117 CYS HB3 H 2.07 0.02 2
993 . 117 CYS C C 171.9 0.2 1
994 . 117 CYS CA C 59.5 0.2 1
995 . 117 CYS CB C 30.4 0.2 1
996 . 117 CYS N N 119.5 0.2 1
997 . 118 VAL H H 8.31 0.02 1
998 . 118 VAL HA H 5.42 0.02 1
999 . 118 VAL HB H 1.85 0.02 1
1000 . 118 VAL HG1 H 1.20 0.02 1
1001 . 118 VAL HG2 H 0.94 0.02 1
1002 . 118 VAL C C 175.2 0.2 1
1003 . 118 VAL CA C 59.5 0.2 1
1004 . 118 VAL CB C 33.8 0.2 1
1005 . 118 VAL CG1 C 21.7 0.2 1
1006 . 118 VAL CG2 C 23.1 0.2 1
1007 . 118 VAL N N 123.4 0.2 1
1008 . 119 TYR H H 8.50 0.02 1
1009 . 119 TYR HA H 5.10 0.02 1
1010 . 119 TYR HB2 H 2.55 0.02 2
1011 . 119 TYR HB3 H 1.72 0.02 2
1012 . 119 TYR HD1 H 6.48 0.02 1
1013 . 119 TYR HD2 H 6.48 0.02 1
1014 . 119 TYR HE1 H 6.61 0.02 1
1015 . 119 TYR HE2 H 6.61 0.02 1
1016 . 119 TYR C C 173.4 0.2 1
1017 . 119 TYR CA C 57.0 0.2 1
1018 . 119 TYR CB C 43.5 0.2 1
1019 . 119 TYR CD1 C 132.8 0.2 1
1020 . 119 TYR CD2 C 132.8 0.2 1
1021 . 119 TYR CE1 C 117.2 0.2 1
1022 . 119 TYR CE2 C 117.2 0.2 1
1023 . 119 TYR N N 124.8 0.2 1
1024 . 120 GLU H H 9.29 0.02 1
1025 . 120 GLU HA H 5.77 0.02 1
1026 . 120 GLU HB2 H 2.29 0.02 2
1027 . 120 GLU HB3 H 2.18 0.02 2
1028 . 120 GLU HG2 H 2.45 0.02 2
1029 . 120 GLU HG3 H 2.12 0.02 2
1030 . 120 GLU C C 175.1 0.2 1
1031 . 120 GLU CA C 55.1 0.2 1
1032 . 120 GLU CB C 35.2 0.2 1
1033 . 120 GLU CG C 39.4 0.2 1
1034 . 120 GLU N N 119.3 0.2 1
1035 . 121 LEU H H 9.60 0.02 1
1036 . 121 LEU HA H 5.28 0.02 1
1037 . 121 LEU HB2 H 1.80 0.02 4
1038 . 121 LEU HB3 H 1.80 0.02 4
1039 . 121 LEU HG H 1.80 0.02 4
1040 . 121 LEU HD1 H 0.94 0.02 1
1041 . 121 LEU HD2 H 0.94 0.02 1
1042 . 121 LEU C C 174.7 0.2 1
1043 . 121 LEU CA C 53.8 0.2 1
1044 . 121 LEU CB C 46.3 0.2 1
1045 . 121 LEU CD1 C 26.2 0.2 1
1046 . 121 LEU CD2 C 26.2 0.2 1
1047 . 121 LEU N N 127.5 0.2 1
1048 . 122 ARG H H 8.90 0.02 1
1049 . 122 ARG HA H 5.54 0.02 1
1050 . 122 ARG HB2 H 1.88 0.02 1
1051 . 122 ARG HB3 H 1.88 0.02 1
1052 . 122 ARG HG2 H 1.80 0.02 2
1053 . 122 ARG HG3 H 1.67 0.02 2
1054 . 122 ARG HD2 H 3.28 0.02 1
1055 . 122 ARG HD3 H 3.28 0.02 1
1056 . 122 ARG C C 175.4 0.2 1
1057 . 122 ARG CA C 54.3 0.2 1
1058 . 122 ARG CB C 29.9 0.2 1
1059 . 122 ARG CG C 27.5 0.2 1
1060 . 122 ARG CD C 43.0 0.2 1
1061 . 122 ARG N N 123.3 0.2 1
1062 . 123 SER H H 7.91 0.02 1
1063 . 123 SER HA H 4.47 0.02 1
1064 . 123 SER HB2 H 4.17 0.02 2
1065 . 123 SER HB3 H 3.58 0.02 2
1066 . 123 SER C C 172.3 0.2 1
1067 . 123 SER CA C 57.5 0.2 1
1068 . 123 SER CB C 65.3 0.2 1
1069 . 123 SER N N 116.9 0.2 1
1070 . 124 ASP H H 8.22 0.02 1
1071 . 124 ASP HA H 4.80 0.02 1
1072 . 124 ASP HB2 H 2.84 0.02 2
1073 . 124 ASP HB3 H 2.47 0.02 2
1074 . 124 ASP C C 176.2 0.2 1
1075 . 124 ASP CA C 53.8 0.2 1
1076 . 124 ASP CB C 41.6 0.2 1
1077 . 124 ASP N N 120.3 0.2 1
1078 . 125 ALA H H 8.09 0.02 1
1079 . 125 ALA HA H 4.47 0.02 1
1080 . 125 ALA HB H 1.31 0.02 1
1081 . 125 ALA C C 177.1 0.2 1
1082 . 125 ALA CA C 53.5 0.2 1
1083 . 125 ALA CB C 19.8 0.2 1
1084 . 125 ALA N N 123.8 0.2 1
1085 . 126 THR H H 8.74 0.02 1
1086 . 126 THR HA H 4.13 0.02 1
1087 . 126 THR HB H 4.10 0.02 1
1088 . 126 THR HG2 H 1.40 0.02 1
1089 . 126 THR CA C 61.5 0.2 1
1090 . 126 THR CB C 70.0 0.2 1
1091 . 126 THR CG2 C 21.6 0.2 1
1092 . 126 THR N N 121.3 0.2 1
1093 . 127 PRO HA H 4.92 0.02 1
1094 . 127 PRO C C 175.2 0.2 1
1095 . 127 PRO CA C 62.9 0.2 1
1096 . 127 PRO CB C 32.8 0.2 1
1097 . 127 PRO CG C 27.0 0.2 1
1098 . 128 ILE H H 8.65 0.02 1
1099 . 128 ILE HA H 3.77 0.02 1
1100 . 128 ILE HB H 1.91 0.02 1
1101 . 128 ILE HG12 H 1.41 0.02 2
1102 . 128 ILE HG13 H 1.20 0.02 2
1103 . 128 ILE HG2 H 0.74 0.02 1
1104 . 128 ILE HD1 H 0.72 0.02 1
1105 . 128 ILE C C 173.8 0.2 1
1106 . 128 ILE CA C 59.9 0.2 1
1107 . 128 ILE CB C 35.0 0.2 1
1108 . 128 ILE CG1 C 26.8 0.2 1
1109 . 128 ILE CG2 C 17.7 0.2 1
1110 . 128 ILE CD1 C 11.4 0.2 1
1111 . 128 ILE N N 122.1 0.2 1
1112 . 129 PHE H H 6.30 0.02 1
1113 . 129 PHE HA H 4.78 0.02 1
1114 . 129 PHE HB2 H 3.38 0.02 2
1115 . 129 PHE HB3 H 2.78 0.02 2
1116 . 129 PHE CA C 55.0 0.2 1
1117 . 129 PHE CB C 41.0 0.2 1
1118 . 129 PHE N N 117.6 0.2 1
1119 . 130 ASN H H 8.94 0.02 1
1120 . 130 ASN HA H 5.03 0.02 1
1121 . 130 ASN HB2 H 3.52 0.02 2
1122 . 130 ASN HB3 H 3.14 0.02 2
1123 . 130 ASN HD21 H 7.55 0.02 2
1124 . 130 ASN HD22 H 7.13 0.02 2
1125 . 130 ASN CA C 50.9 0.2 1
1126 . 130 ASN CB C 39.1 0.2 1
1127 . 130 ASN N N 119.4 0.2 1
1128 . 130 ASN ND2 N 112.0 0.2 1
1129 . 131 PRO HA H 5.52 0.02 1
1130 . 131 PRO HB2 H 2.44 0.02 2
1131 . 131 PRO HB3 H 2.22 0.02 2
1132 . 131 PRO HG2 H 1.87 0.02 2
1133 . 131 PRO HG3 H 1.64 0.02 2
1134 . 131 PRO HD2 H 4.31 0.02 2
1135 . 131 PRO HD3 H 3.98 0.02 2
1136 . 131 PRO C C 177.5 0.2 1
1137 . 131 PRO CA C 63.8 0.2 1
1138 . 131 PRO CB C 32.3 0.2 1
1139 . 131 PRO CG C 27.5 0.2 1
1140 . 131 PRO CD C 51.4 0.2 1
1141 . 132 ASN H H 8.43 0.02 1
1142 . 132 ASN HA H 4.56 0.02 1
1143 . 132 ASN HB2 H 2.74 0.02 1
1144 . 132 ASN HB3 H 2.74 0.02 1
1145 . 132 ASN HD21 H 7.81 0.02 2
1146 . 132 ASN HD22 H 7.05 0.02 2
1147 . 132 ASN C C 175.6 0.2 1
1148 . 132 ASN CA C 55.1 0.2 1
1149 . 132 ASN CB C 38.6 0.2 1
1150 . 132 ASN N N 115.4 0.2 1
1151 . 132 ASN ND2 N 113.6 0.2 1
1152 . 133 ASP H H 7.70 0.02 1
1153 . 133 ASP HA H 4.88 0.02 1
1154 . 133 ASP HB2 H 3.03 0.02 2
1155 . 133 ASP HB3 H 2.71 0.02 2
1156 . 133 ASP C C 175.6 0.2 1
1157 . 133 ASP CA C 55.6 0.2 1
1158 . 133 ASP CB C 44.0 0.2 1
1159 . 133 ASP N N 115.2 0.2 1
1160 . 134 ILE H H 8.19 0.02 1
1161 . 134 ILE HA H 4.52 0.02 1
1162 . 134 ILE HB H 1.63 0.02 1
1163 . 134 ILE HG12 H 1.52 0.02 2
1164 . 134 ILE HG13 H 0.97 0.02 2
1165 . 134 ILE HG2 H 0.31 0.02 1
1166 . 134 ILE HD1 H 1.09 0.02 1
1167 . 134 ILE C C 173.5 0.2 1
1168 . 134 ILE CA C 60.5 0.2 1
1169 . 134 ILE CB C 43.5 0.2 1
1170 . 134 ILE CG1 C 28.1 0.2 1
1171 . 134 ILE CG2 C 17.8 0.2 1
1172 . 134 ILE CD1 C 13.9 0.2 1
1173 . 134 ILE N N 124.5 0.2 1
1174 . 135 SER H H 8.56 0.02 1
1175 . 135 SER HA H 4.74 0.02 1
1176 . 135 SER HB2 H 3.86 0.02 2
1177 . 135 SER HB3 H 3.75 0.02 2
1178 . 135 SER C C 174.9 0.2 1
1179 . 135 SER CA C 58.5 0.2 1
1180 . 135 SER CB C 64.8 0.2 1
1181 . 135 SER N N 116.6 0.2 1
1182 . 136 GLY H H 7.14 0.02 1
1183 . 136 GLY HA2 H 4.10 0.02 2
1184 . 136 GLY HA3 H 3.67 0.02 2
1185 . 136 GLY C C 168.7 0.2 1
1186 . 136 GLY CA C 44.5 0.2 1
1187 . 136 GLY N N 109.6 0.2 1
1188 . 137 GLY H H 8.15 0.02 1
1189 . 137 GLY C C 171.9 0.2 1
1190 . 137 GLY CA C 45.4 0.2 1
1191 . 137 GLY N N 103.0 0.2 1
1192 . 138 GLU H H 7.24 0.02 1
1193 . 138 GLU HA H 4.56 0.02 2
1194 . 138 GLU HB2 H 1.87 0.02 2
1195 . 138 GLU HB3 H 1.66 0.02 2
1196 . 138 GLU HG2 H 2.08 0.02 2
1197 . 138 GLU HG3 H 2.03 0.02 2
1198 . 138 GLU C C 173.4 0.2 1
1199 . 138 GLU CA C 54.3 0.2 1
1200 . 138 GLU CB C 35.5 0.2 1
1201 . 138 GLU CG C 37.0 0.2 1
1202 . 138 GLU N N 117.7 0.2 1
1203 . 139 TRP H H 8.62 0.02 1
1204 . 139 TRP HA H 5.34 0.02 1
1205 . 139 TRP HB2 H 3.01 0.02 1
1206 . 139 TRP HB3 H 3.01 0.02 1
1207 . 139 TRP HE1 H 9.97 0.02 1
1208 . 139 TRP C C 176.3 0.2 1
1209 . 139 TRP CA C 56.1 0.2 1
1210 . 139 TRP CB C 28.9 0.2 1
1211 . 139 TRP N N 122.5 0.2 1
1212 . 139 TRP NE1 N 127.0 0.2 1
1213 . 140 LEU H H 9.67 0.02 1
1214 . 140 LEU HA H 5.19 0.02 1
1215 . 140 LEU HB2 H 1.67 0.02 2
1216 . 140 LEU HB3 H 1.49 0.02 2
1217 . 140 LEU HD1 H 0.68 0.02 1
1218 . 140 LEU HD2 H 0.83 0.02 1
1219 . 140 LEU CA C 53.7 0.2 1
1220 . 140 LEU CB C 47.8 0.2 1
1221 . 140 LEU CD1 C 26.5 0.2 1
1222 . 140 LEU CD2 C 23.9 0.2 1
1223 . 140 LEU N N 124.4 0.2 1
1224 . 141 THR H H 8.93 0.02 1
1225 . 141 THR HA H 4.64 0.02 1
1226 . 141 THR HB H 4.64 0.02 1
1227 . 141 THR HG2 H 1.41 0.02 1
1228 . 141 THR CA C 60.9 0.2 1
1229 . 141 THR CB C 68.2 0.2 1
1230 . 141 THR CG2 C 23.1 0.2 1
1231 . 141 THR N N 113.7 0.2 1
1232 . 142 PRO HA H 3.80 0.02 1
1233 . 142 PRO HB2 H 1.92 0.02 1
1234 . 142 PRO HB3 H 1.92 0.02 1
1235 . 142 PRO HG2 H 2.12 0.02 2
1236 . 142 PRO HG3 H 1.41 0.02 2
1237 . 142 PRO C C 177.3 0.2 1
1238 . 142 PRO CA C 66.3 0.2 1
1239 . 142 PRO CB C 31.8 0.2 1
1240 . 142 PRO CG C 27.5 0.2 1
1241 . 143 GLU H H 8.81 0.02 1
1242 . 143 GLU HA H 3.87 0.02 1
1243 . 143 GLU HB2 H 2.00 0.02 2
1244 . 143 GLU HB3 H 1.92 0.02 2
1245 . 143 GLU HG2 H 2.34 0.02 1
1246 . 143 GLU HG3 H 2.26 0.02 1
1247 . 143 GLU C C 179.2 0.2 1
1248 . 143 GLU CA C 60.0 0.2 1
1249 . 143 GLU CB C 29.4 0.2 1
1250 . 143 GLU CG C 36.7 0.2 1
1251 . 143 GLU N N 113.0 0.2 1
1252 . 144 HIS H H 7.93 0.02 1
1253 . 144 HIS HA H 4.52 0.02 1
1254 . 144 HIS HB2 H 3.25 0.02 2
1255 . 144 HIS HB3 H 3.18 0.02 2
1256 . 144 HIS HD2 H 6.96 0.02 1
1257 . 144 HIS C C 178.2 0.2 1
1258 . 144 HIS CA C 58.0 0.2 1
1259 . 144 HIS CB C 31.4 0.2 1
1260 . 144 HIS N N 120.9 0.2 1
1261 . 145 LEU H H 8.46 0.02 1
1262 . 145 LEU HA H 3.88 0.02 1
1263 . 145 LEU C C 178.2 0.2 1
1264 . 145 LEU CA C 58.5 0.2 1
1265 . 145 LEU CB C 41.5 0.2 1
1266 . 145 LEU N N 119.4 0.2 1
1267 . 146 LEU H H 8.35 0.02 1
1268 . 146 LEU HA H 3.90 0.02 1
1269 . 146 LEU HB2 H 1.87 0.02 2
1270 . 146 LEU HB3 H 1.41 0.02 2
1271 . 146 LEU HD1 H 0.93 0.02 2
1272 . 146 LEU HD2 H 0.80 0.02 2
1273 . 146 LEU C C 179.8 0.2 1
1274 . 146 LEU CA C 58.5 0.2 1
1275 . 146 LEU CB C 41.1 0.2 1
1276 . 146 LEU CG C 26.0 0.2 1
1277 . 146 LEU N N 116.1 0.2 1
1278 . 147 ALA H H 7.91 0.02 1
1279 . 147 ALA HA H 4.18 0.02 1
1280 . 147 ALA HB H 1.54 0.02 1
1281 . 147 ALA CA C 55.1 0.2 1
1282 . 147 ALA CB C 17.8 0.2 1
1283 . 147 ALA N N 121.9 0.2 1
1284 . 148 ARG H H 8.00 0.02 1
1285 . 148 ARG HA H 3.99 0.02 1
1286 . 148 ARG C C 179.2 0.2 1
1287 . 148 ARG CA C 59.4 0.2 1
1288 . 148 ARG CB C 30.3 0.2 1
1289 . 148 ARG CG C 27.0 0.2 1
1290 . 148 ARG CD C 39.1 0.2 1
1291 . 148 ARG N N 119.6 0.2 1
1292 . 149 ILE H H 8.02 0.02 1
1293 . 149 ILE HA H 3.83 0.02 1
1294 . 149 ILE HB H 1.76 0.02 1
1295 . 149 ILE HG12 H 1.80 0.02 1
1296 . 149 ILE HG13 H 1.80 0.02 1
1297 . 149 ILE HG2 H 0.94 0.02 1
1298 . 149 ILE HD1 H 0.68 0.02 1
1299 . 149 ILE CA C 65.8 0.2 1
1300 . 149 ILE CB C 38.6 0.2 1
1301 . 149 ILE CG1 C 28.9 0.2 1
1302 . 149 ILE CG2 C 16.8 0.2 1
1303 . 149 ILE CD1 C 13.7 0.2 1
1304 . 149 ILE N N 119.0 0.2 1
1305 . 150 ALA H H 8.41 0.02 1
1306 . 150 ALA HA H 4.14 0.02 1
1307 . 150 ALA HB H 1.53 0.02 1
1308 . 150 ALA C C 178.6 0.2 1
1309 . 150 ALA CA C 54.8 0.2 1
1310 . 150 ALA CB C 17.7 0.2 1
1311 . 150 ALA N N 123.4 0.2 1
1312 . 151 ALA H H 7.46 0.02 1
1313 . 151 ALA HA H 4.38 0.02 1
1314 . 151 ALA HB H 1.56 0.02 1
1315 . 151 ALA C C 177.9 0.2 1
1316 . 151 ALA CA C 52.4 0.2 1
1317 . 151 ALA CB C 18.6 0.2 1
1318 . 151 ALA N N 117.2 0.2 1
1319 . 152 GLY H H 7.78 0.02 1
1320 . 152 GLY HA2 H 4.46 0.02 2
1321 . 152 GLY HA3 H 3.68 0.02 2
1322 . 152 GLY C C 174.6 0.2 1
1323 . 152 GLY CA C 44.9 0.2 1
1324 . 152 GLY N N 104.5 0.2 1
1325 . 153 GLU H H 7.67 0.02 1
1326 . 153 GLU HA H 4.07 0.02 1
1327 . 153 GLU HB2 H 1.77 0.02 2
1328 . 153 GLU HB3 H 1.61 0.02 2
1329 . 153 GLU HG2 H 2.31 0.02 2
1330 . 153 GLU HG3 H 2.24 0.02 2
1331 . 153 GLU C C 175.7 0.2 1
1332 . 153 GLU CA C 57.5 0.2 1
1333 . 153 GLU CB C 30.3 0.2 1
1334 . 153 GLU CG C 36.7 0.2 1
1335 . 153 GLU N N 121.9 0.2 1
1336 . 154 ALA H H 8.43 0.02 1
1337 . 154 ALA HA H 4.20 0.02 1
1338 . 154 ALA HB H 1.42 0.02 1
1339 . 154 ALA C C 177.2 0.2 1
1340 . 154 ALA CA C 52.8 0.2 1
1341 . 154 ALA CB C 19.1 0.2 1
1342 . 154 ALA N N 127.0 0.2 1
1343 . 155 ALA H H 8.09 0.02 1
1344 . 155 ALA HA H 4.91 0.02 1
1345 . 155 ALA HB H 1.27 0.02 1
1346 . 155 ALA C C 175.5 0.2 1
1347 . 155 ALA CA C 50.8 0.2 1
1348 . 155 ALA CB C 23.1 0.2 1
1349 . 155 ALA N N 122.0 0.2 1
1350 . 156 LYS H H 8.68 0.02 1
1351 . 156 LYS HB2 H 1.62 0.02 2
1352 . 156 LYS HB3 H 1.36 0.02 2
1353 . 156 LYS HE2 H 2.92 0.02 1
1354 . 156 LYS HE3 H 2.92 0.02 1
1355 . 156 LYS CA C 56.6 0.2 1
1356 . 156 LYS CB C 32.8 0.2 1
1357 . 156 LYS N N 122.1 0.2 1
1358 . 157 GLY HA2 H 3.83 0.02 2
1359 . 157 GLY HA3 H 3.69 0.02 2
1360 . 157 GLY CA C 48.3 0.2 1
1361 . 158 ASP H H 7.71 0.02 1
1362 . 158 ASP HA H 4.66 0.02 1
1363 . 158 ASP HB2 H 2.62 0.02 2
1364 . 158 ASP HB3 H 2.26 0.02 2
1365 . 158 ASP C C 175.8 0.2 1
1366 . 158 ASP CA C 55.6 0.2 1
1367 . 158 ASP CB C 42.0 0.2 1
1368 . 158 ASP N N 116.9 0.2 1
1369 . 159 LEU H H 7.30 0.02 1
1370 . 159 LEU HA H 3.79 0.02 1
1371 . 159 LEU HD1 H 0.92 0.2 2
1372 . 159 LEU HD2 H 0.68 0.2 2
1373 . 159 LEU C C 176.6 0.2 1
1374 . 159 LEU CA C 60.0 0.2 1
1375 . 159 LEU CB C 42.5 0.2 1
1376 . 159 LEU N N 118.1 0.2 1
1377 . 160 ALA H H 8.93 0.02 1
1378 . 160 ALA HA H 3.66 0.02 1
1379 . 160 ALA HB H 1.35 0.02 1
1380 . 160 ALA C C 179.1 0.2 1
1381 . 160 ALA CA C 56.1 0.2 1
1382 . 160 ALA CB C 17.8 0.2 1
1383 . 160 ALA N N 118.0 0.2 1
1384 . 161 GLU H H 8.47 0.02 1
1385 . 161 GLU HA H 3.77 0.02 1
1386 . 161 GLU HB2 H 1.93 0.02 2
1387 . 161 GLU HB3 H 1.70 0.02 2
1388 . 161 GLU C C 178.3 0.2 1
1389 . 161 GLU CA C 59.5 0.2 1
1390 . 161 GLU CB C 28.9 0.2 1
1391 . 161 GLU CG C 35.7 0.2 1
1392 . 161 GLU N N 117.5 0.2 1
1393 . 162 LEU H H 8.32 0.02 1
1394 . 162 LEU HA H 3.90 0.02 1
1395 . 162 LEU HB2 H 1.41 0.02 4
1396 . 162 LEU HB3 H 1.41 0.02 4
1397 . 162 LEU HG H 1.61 0.02 4
1398 . 162 LEU HD1 H 0.95 0.02 2
1399 . 162 LEU HD2 H 0.65 0.02 2
1400 . 162 LEU C C 179.2 0.2 1
1401 . 162 LEU CA C 58.0 0.2 1
1402 . 162 LEU CB C 43.4 0.2 1
1403 . 162 LEU CG C 26.0 0.2 1
1404 . 162 LEU N N 117.0 0.2 1
1405 . 163 VAL H H 8.34 0.02 1
1406 . 163 VAL HA H 3.43 0.02 1
1407 . 163 VAL HB H 2.12 0.02 1
1408 . 163 VAL HG1 H 0.88 0.02 1
1409 . 163 VAL HG2 H 0.94 0.02 1
1410 . 163 VAL C C 178.3 0.2 1
1411 . 163 VAL CA C 67.7 0.2 1
1412 . 163 VAL CB C 31.4 0.2 1
1413 . 163 VAL CG1 C 22.3 0.2 1
1414 . 163 VAL CG2 C 23.9 0.2 1
1415 . 163 VAL N N 118.1 0.2 1
1416 . 164 ARG H H 8.53 0.02 1
1417 . 164 ARG HA H 3.83 0.02 1
1418 . 164 ARG C C 178.7 0.2 1
1419 . 164 ARG CA C 60.5 0.2 1
1420 . 164 ARG CB C 30.4 0.2 1
1421 . 164 ARG N N 118.9 0.2 1
1422 . 165 ARG H H 8.49 0.02 1
1423 . 165 ARG HA H 4.10 0.02 1
1424 . 165 ARG HB2 H 2.06 0.02 2
1425 . 165 ARG HB3 H 1.92 0.02 2
1426 . 165 ARG C C 179.3 0.2 1
1427 . 165 ARG CA C 59.9 0.2 1
1428 . 165 ARG CB C 31.8 0.2 1
1429 . 165 ARG CG C 29.9 0.2 1
1430 . 165 ARG CD C 43.0 0.2 1
1431 . 165 ARG N N 113.7 0.2 1
1432 . 166 CYS H H 8.27 0.02 1
1433 . 166 CYS HA H 4.22 0.02 1
1434 . 166 CYS HB2 H 2.59 0.02 2
1435 . 166 CYS HB3 H 2.13 0.02 2
1436 . 166 CYS CA C 62.4 0.2 1
1437 . 166 CYS CB C 29.4 0.2 1
1438 . 166 CYS N N 112.4 0.2 1
1439 . 167 TYR H H 8.06 0.02 1
1440 . 167 TYR HA H 4.74 0.02 1
1441 . 167 TYR HB2 H 3.17 0.02 2
1442 . 167 TYR HB3 H 2.68 0.02 2
1443 . 167 TYR HD1 H 6.83 0.02 1
1444 . 167 TYR HD2 H 6.83 0.02 1
1445 . 167 TYR HE1 H 6.24 0.02 1
1446 . 167 TYR HE2 H 6.24 0.02 1
1447 . 167 TYR C C 175.6 0.2 1
1448 . 167 TYR CA C 59.5 0.2 1
1449 . 167 TYR CB C 39.6 0.2 1
1450 . 167 TYR CD1 C 132.2 0.2 1
1451 . 167 TYR CD2 C 132.2 0.2 1
1452 . 167 TYR CE1 C 117.8 0.2 1
1453 . 167 TYR CE2 C 117.8 0.2 1
1454 . 167 TYR N N 114.0 0.2 1
1455 . 168 ARG H H 7.62 0.02 1
1456 . 168 ARG HA H 4.60 0.02 1
1457 . 168 ARG HB2 H 2.04 0.02 2
1458 . 168 ARG HB3 H 1.91 0.02 2
1459 . 168 ARG HG2 H 1.61 0.02 1
1460 . 168 ARG HG3 H 1.61 0.02 1
1461 . 168 ARG C C 175.5 0.2 1
1462 . 168 ARG CA C 55.6 0.2 1
1463 . 168 ARG CB C 30.9 0.2 1
1464 . 168 ARG CG C 27.0 0.2 1
1465 . 168 ARG CD C 43.5 0.2 1
1466 . 168 ARG N N 120.5 0.2 1
1467 . 169 GLU H H 8.40 0.02 1
1468 . 169 GLU HA H 4.27 0.02 1
1469 . 169 GLU HB2 H 2.10 0.02 2
1470 . 169 GLU HB3 H 1.99 0.02 2
1471 . 169 GLU HG2 H 2.26 0.02 1
1472 . 169 GLU HG3 H 2.26 0.02 1
1473 . 169 GLU C C 176.3 0.2 1
1474 . 169 GLU CA C 57.1 0.2 1
1475 . 169 GLU CB C 30.4 0.2 1
1476 . 169 GLU CG C 36.2 0.2 1
1477 . 169 GLU N N 120.5 0.2 1
1478 . 170 GLU H H 8.31 0.02 1
1479 . 170 GLU HA H 4.32 0.02 1
1480 . 170 GLU HB2 H 2.01 0.02 2
1481 . 170 GLU HB3 H 1.91 0.02 2
1482 . 170 GLU HG2 H 2.29 0.02 1
1483 . 170 GLU HG3 H 2.29 0.02 1
1484 . 170 GLU CA C 56.6 0.2 1
1485 . 170 GLU CB C 30.9 0.2 1
1486 . 170 GLU CG C 36.2 0.2 1
1487 . 170 GLU N N 120.6 0.2 1
1488 . 171 GLU H H 8.02 0.02 1
1489 . 171 GLU N N 126.3 0.2 1
stop_
loop_
_Atom_shift_assign_ID_ambiguity
51
'50,49'
'130,129,128,127'
'190,189'
'943,943,943,942,941'
'1040,1040,1040,1039,1038'
'1398,1398,1398,1397,1396'
stop_
save_