data_15669
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Sequence-specific 1H, 13C and 15N resonance assignments of the GRP1 PH domain
;
_BMRB_accession_number 15669
_BMRB_flat_file_name bmr15669.str
_Entry_type original
_Submission_date 2008-02-21
_Accession_date 2008-02-21
_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 He Ju . .
2 Kutateladze Tatiana G. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 772
"13C chemical shifts" 475
"15N chemical shifts" 124
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-08-31 update BMRB 'add PubMed ID'
2008-12-02 update BMRB 'complete entry citation'
2008-05-30 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Sequence-specific 1H, 13C, and 15N resonance assignments of the GRP1 PH domain'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19636878
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 He Ju . .
2 Kutateladze Tatiana G. .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_name_full 'Biomolecular NMR Assignments'
_Journal_volume 2
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 97
_Page_last 99
_Year 2008
_Details .
loop_
_Keyword
GRP1
PH
'resonance assignment'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'PH domain of GRP1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'PH domain of GRP1' $GRP1
stop_
_System_molecular_weight 15373.4
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_GRP1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common GRP1
_Molecular_mass 15373.4
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 125
_Mol_residue_sequence
;
TFFNPDREGWLLKLGGRVKT
WKRRWFILTDNCLYYFEYTT
DKEPRGIIPLENLSIREVED
PRKPNCFELYNPSHKGQVIK
ACKTEADGRVVEGNHVVYRI
SAPSPEEKEEWMKSIKASIS
RDPFY
;
loop_
_Residue_seq_code
_Residue_label
1 THR 2 PHE 3 PHE 4 ASN 5 PRO
6 ASP 7 ARG 8 GLU 9 GLY 10 TRP
11 LEU 12 LEU 13 LYS 14 LEU 15 GLY
16 GLY 17 ARG 18 VAL 19 LYS 20 THR
21 TRP 22 LYS 23 ARG 24 ARG 25 TRP
26 PHE 27 ILE 28 LEU 29 THR 30 ASP
31 ASN 32 CYS 33 LEU 34 TYR 35 TYR
36 PHE 37 GLU 38 TYR 39 THR 40 THR
41 ASP 42 LYS 43 GLU 44 PRO 45 ARG
46 GLY 47 ILE 48 ILE 49 PRO 50 LEU
51 GLU 52 ASN 53 LEU 54 SER 55 ILE
56 ARG 57 GLU 58 VAL 59 GLU 60 ASP
61 PRO 62 ARG 63 LYS 64 PRO 65 ASN
66 CYS 67 PHE 68 GLU 69 LEU 70 TYR
71 ASN 72 PRO 73 SER 74 HIS 75 LYS
76 GLY 77 GLN 78 VAL 79 ILE 80 LYS
81 ALA 82 CYS 83 LYS 84 THR 85 GLU
86 ALA 87 ASP 88 GLY 89 ARG 90 VAL
91 VAL 92 GLU 93 GLY 94 ASN 95 HIS
96 VAL 97 VAL 98 TYR 99 ARG 100 ILE
101 SER 102 ALA 103 PRO 104 SER 105 PRO
106 GLU 107 GLU 108 LYS 109 GLU 110 GLU
111 TRP 112 MET 113 LYS 114 SER 115 ILE
116 LYS 117 ALA 118 SER 119 ILE 120 SER
121 ARG 122 ASP 123 PRO 124 PHE 125 TYR
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1FGY "Grp1 Ph Domain With Ins(1,3,4,5)p4" 100.00 127 98.40 98.40 1.99e-84
PDB 1FGZ "Grp1 Ph Domain (Unliganded)" 100.00 127 98.40 98.40 1.99e-84
PDB 1FHW "Structure Of The Pleckstrin Homology Domain From Grp1 In Complex With Inositol(1,3,4,5,6)pentakisphosphate" 98.40 129 99.19 99.19 1.99e-84
PDB 1FHX "Structure Of The Pleckstrin Homology Domain From Grp1 In Complex With Inositol 1,3,4,5-Tetrakisphosphate" 97.60 129 99.18 99.18 5.69e-83
PDB 1U2B "Triglycine Variant Of The Grp1 Pleckstrin Homology Domain Unliganded" 100.80 138 99.21 99.21 5.55e-85
PDB 2R09 "Crystal Structure Of Autoinhibited Form Of Grp1 Arf Gtpase Exchange Factor" 100.00 347 99.20 99.20 2.40e-84
PDB 2R0D "Crystal Structure Of Autoinhibited Form Of Grp1 Arf Gtpase Exchange Factor" 100.00 347 100.00 100.00 6.09e-86
PDB 4KAX "Crystal Structure Of The Grp1 Ph Domain In Complex With Arf6-gtp" 100.00 161 100.00 100.00 8.25e-87
DBJ BAA33433 "cytohesin 3 [Mus musculus]" 100.00 399 100.00 100.00 1.09e-85
DBJ BAC29342 "unnamed protein product [Mus musculus]" 100.00 399 99.20 100.00 1.84e-85
DBJ BAD90330 "mKIAA4241 protein [Mus musculus]" 100.80 453 99.21 99.21 3.43e-83
DBJ BAE25057 "unnamed protein product [Mus musculus]" 100.00 399 100.00 100.00 1.09e-85
DBJ BAE34915 "unnamed protein product [Mus musculus]" 100.00 399 100.00 100.00 1.09e-85
EMBL CAA06434 "GRP1 protein [Homo sapiens]" 100.00 399 100.00 100.00 1.14e-85
EMBL CAA11686 "ARNO3 [Homo sapiens]" 100.00 399 100.00 100.00 1.14e-85
GB AAB41445 "sec7C [Rattus norvegicus]" 100.80 400 99.21 99.21 7.70e-84
GB AAB60876 "GRP1 [Mus musculus]" 100.00 399 100.00 100.00 1.09e-85
GB AAF23858 "general receptor of phosphoinositides 1 [Mus musculus]" 100.00 399 100.00 100.00 1.09e-85
GB AAH07189 "Cyth3 protein, partial [Mus musculus]" 100.00 377 100.00 100.00 5.68e-86
GB AAH08191 "CYTH3 protein [Homo sapiens]" 100.00 179 100.00 100.00 1.19e-86
REF NP_001072881 "cytohesin-3 [Xenopus (Silurana) tropicalis]" 100.00 394 98.40 100.00 2.25e-84
REF NP_001157020 "cytohesin-3 isoform 2 [Mus musculus]" 100.00 351 100.00 100.00 5.52e-86
REF NP_001238790 "cytohesin-3 [Pan troglodytes]" 100.00 399 100.00 100.00 1.14e-85
REF NP_004218 "cytohesin-3 [Homo sapiens]" 100.00 399 100.00 100.00 1.14e-85
REF NP_035312 "cytohesin-3 isoform 1 [Mus musculus]" 100.00 399 100.00 100.00 1.09e-85
SP O08967 "RecName: Full=Cytohesin-3; AltName: Full=ARF nucleotide-binding site opener 3; Short=Protein ARNO3; AltName: Full=General recep" 100.00 399 100.00 100.00 1.09e-85
SP O43739 "RecName: Full=Cytohesin-3; AltName: Full=ARF nucleotide-binding site opener 3; Short=Protein ARNO3; AltName: Full=General recep" 100.80 400 99.21 99.21 8.04e-84
SP P97696 "RecName: Full=Cytohesin-3; AltName: Full=PH, SEC7 and coiled-coil domain-containing protein 3; AltName: Full=SEC7 homolog C; Sh" 100.80 400 99.21 99.21 7.70e-84
TPG DAA15150 "TPA: Cyth3 protein-like [Bos taurus]" 88.00 651 99.09 100.00 6.02e-70
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$GRP1 Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$GRP1 'recombinant technology' . Escherichia coli . 'pRSET A'
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
$GRP1 1 mM [U-15N]
NaCl 300 mM .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$GRP1 1 mM '[U-13C; U-15N]'
NaCl 300 mM .
stop_
save_
############################
# Computer software used #
############################
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_
#########################
# 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 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_2
save_
save_3D_C(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_2
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_2
save_
save_3D_H(CCO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_2
save_
save_3D_1H-15N_NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_HNCO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_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' 0.3 . M
pH 6.5 . pH
pressure 1 . atm
temperature 298 . 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 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 . 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
$NMRPipe
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D CBCA(CO)NH'
'3D C(CO)NH'
'3D HNCACB'
'3D H(CCO)NH'
'3D 1H-15N NOESY'
'3D HNCO'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'PH domain of GRP1'
_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 THR H H 8.07 0.05 1
2 1 1 THR HA H 4.75 0.05 1
3 1 1 THR HB H 3.66 0.05 1
4 1 1 THR HG2 H 0.88 0.05 1
5 1 1 THR C C 177.70 0.1 1
6 1 1 THR CA C 64.21 0.1 1
7 1 1 THR CB C 69.69 0.1 1
8 1 1 THR N N 116.76 0.1 1
9 2 2 PHE H H 8.17 0.05 1
10 2 2 PHE HA H 4.50 0.05 1
11 2 2 PHE HB2 H 2.75 0.05 2
12 2 2 PHE HB3 H 3.16 0.05 2
13 2 2 PHE HD1 H 6.95 0.05 1
14 2 2 PHE HD2 H 6.95 0.05 1
15 2 2 PHE HE1 H 6.95 0.05 1
16 2 2 PHE HE2 H 6.95 0.05 1
17 2 2 PHE HZ H 6.66 0.05 1
18 2 2 PHE C C 174.99 0.1 1
19 2 2 PHE CA C 57.11 0.1 1
20 2 2 PHE CB C 38.56 0.1 1
21 2 2 PHE N N 119.04 0.1 1
22 3 3 PHE H H 7.66 0.05 1
23 3 3 PHE HA H 4.53 0.05 1
24 3 3 PHE HB2 H 3.07 0.05 1
25 3 3 PHE HB3 H 3.07 0.05 1
26 3 3 PHE HD1 H 7.23 0.05 1
27 3 3 PHE HD2 H 7.23 0.05 1
28 3 3 PHE HE1 H 6.95 0.05 1
29 3 3 PHE HE2 H 6.95 0.05 1
30 3 3 PHE C C 175.25 0.1 1
31 3 3 PHE CA C 57.63 0.1 1
32 3 3 PHE CB C 39.58 0.1 1
33 3 3 PHE N N 119.95 0.1 1
34 4 4 ASN H H 8.66 0.05 1
35 4 4 ASN HA H 4.53 0.05 1
36 4 4 ASN HB2 H 2.41 0.05 2
37 4 4 ASN HB3 H 2.79 0.05 2
38 4 4 ASN HD21 H 6.78 0.05 2
39 4 4 ASN HD22 H 7.52 0.05 2
40 4 4 ASN CA C 51.98 0.1 1
41 4 4 ASN CB C 38.97 0.1 1
42 4 4 ASN CG C 177.55 0.1 1
43 4 4 ASN N N 120.59 0.1 1
44 4 4 ASN ND2 N 112.11 0.1 1
45 5 5 PRO HA H 4.47 0.05 1
46 5 5 PRO HB2 H 1.92 0.05 1
47 5 5 PRO HB3 H 1.92 0.05 1
48 5 5 PRO HD2 H 3.58 0.05 1
49 5 5 PRO HD3 H 3.58 0.05 1
50 5 5 PRO HG2 H 1.92 0.05 1
51 5 5 PRO HG3 H 1.92 0.05 1
52 5 5 PRO C C 176.10 0.1 1
53 5 5 PRO CA C 63.08 0.1 1
54 5 5 PRO CB C 33.12 0.1 1
55 5 5 PRO CG C 26.91 0.1 1
56 6 6 ASP H H 8.72 0.05 1
57 6 6 ASP HA H 4.38 0.05 1
58 6 6 ASP HB2 H 2.42 0.05 2
59 6 6 ASP HB3 H 2.67 0.05 2
60 6 6 ASP C C 177.02 0.1 1
61 6 6 ASP CA C 57.25 0.1 1
62 6 6 ASP CB C 40.99 0.1 1
63 6 6 ASP N N 121.56 0.1 1
64 7 7 ARG H H 7.45 0.05 1
65 7 7 ARG HA H 4.07 0.05 1
66 7 7 ARG HB2 H 2.02 0.05 1
67 7 7 ARG HB3 H 2.02 0.05 1
68 7 7 ARG HD2 H 3.62 0.05 1
69 7 7 ARG HD3 H 3.62 0.05 1
70 7 7 ARG HG2 H 1.43 0.05 1
71 7 7 ARG HG3 H 1.43 0.05 1
72 7 7 ARG C C 172.29 0.1 1
73 7 7 ARG CA C 56.39 0.1 1
74 7 7 ARG CB C 31.82 0.1 1
75 7 7 ARG CG C 26.96 0.1 1
76 7 7 ARG N N 115.36 0.1 1
77 8 8 GLU H H 7.91 0.05 1
78 8 8 GLU HA H 5.63 0.05 1
79 8 8 GLU HB2 H 1.78 0.05 1
80 8 8 GLU HB3 H 1.78 0.05 1
81 8 8 GLU HG2 H 2.17 0.05 1
82 8 8 GLU HG3 H 2.17 0.05 1
83 8 8 GLU C C 175.19 0.1 1
84 8 8 GLU CA C 54.08 0.1 1
85 8 8 GLU CB C 33.42 0.1 1
86 8 8 GLU CG C 34.82 0.1 1
87 8 8 GLU N N 120.98 0.1 1
88 9 9 GLY H H 7.95 0.05 1
89 9 9 GLY HA2 H 3.35 0.05 2
90 9 9 GLY HA3 H 4.44 0.05 2
91 9 9 GLY C C 171.42 0.1 1
92 9 9 GLY CA C 45.87 0.1 1
93 9 9 GLY N N 108.81 0.1 1
94 10 10 TRP H H 8.64 0.05 1
95 10 10 TRP HA H 5.48 0.05 1
96 10 10 TRP HB2 H 3.29 0.05 2
97 10 10 TRP HB3 H 3.34 0.05 2
98 10 10 TRP HD1 H 7.64 0.05 1
99 10 10 TRP HE1 H 10.25 0.05 1
100 10 10 TRP HE3 H 7.65 0.05 1
101 10 10 TRP HH2 H 6.71 0.05 1
102 10 10 TRP HZ2 H 7.65 0.05 1
103 10 10 TRP HZ3 H 6.71 0.05 1
104 10 10 TRP C C 177.46 0.1 1
105 10 10 TRP CA C 57.38 0.1 1
106 10 10 TRP CB C 31.07 0.1 1
107 10 10 TRP N N 120.59 0.1 1
108 10 10 TRP NE1 N 129.64 0.1 1
109 11 11 LEU H H 9.40 0.05 1
110 11 11 LEU HA H 4.69 0.05 1
111 11 11 LEU HB2 H 0.79 0.05 2
112 11 11 LEU HB3 H 1.15 0.05 2
113 11 11 LEU HD1 H 0.48 0.05 1
114 11 11 LEU HD2 H 0.48 0.05 1
115 11 11 LEU HG H 0.48 0.05 1
116 11 11 LEU C C 175.25 0.1 1
117 11 11 LEU CA C 54.14 0.1 1
118 11 11 LEU CB C 47.27 0.1 1
119 11 11 LEU CD1 C 19.64 0.1 1
120 11 11 LEU CD2 C 19.64 0.1 1
121 11 11 LEU CG C 25.64 0.1 1
122 11 11 LEU N N 121.40 0.1 1
123 12 12 LEU H H 8.27 0.05 1
124 12 12 LEU HA H 4.65 0.05 1
125 12 12 LEU HB2 H 1.70 0.05 1
126 12 12 LEU HB3 H 1.70 0.05 1
127 12 12 LEU HD1 H 0.72 0.05 1
128 12 12 LEU HD2 H 0.72 0.05 1
129 12 12 LEU HG H 1.70 0.05 1
130 12 12 LEU C C 172.00 0.1 1
131 12 12 LEU CA C 53.68 0.1 1
132 12 12 LEU CB C 44.79 0.1 1
133 12 12 LEU CD1 C 27.90 0.1 1
134 12 12 LEU CD2 C 27.90 0.1 1
135 12 12 LEU CG C 27.86 0.1 1
136 12 12 LEU N N 118.56 0.1 1
137 13 13 LYS H H 8.33 0.05 1
138 13 13 LYS HA H 4.77 0.05 1
139 13 13 LYS HB2 H 2.06 0.05 1
140 13 13 LYS HB3 H 2.06 0.05 1
141 13 13 LYS HG2 H 1.43 0.05 1
142 13 13 LYS HG3 H 1.43 0.05 1
143 13 13 LYS C C 178.29 0.1 1
144 13 13 LYS CA C 58.70 0.1 1
145 13 13 LYS CB C 32.02 0.1 1
146 13 13 LYS N N 122.23 0.1 1
147 14 14 LEU H H 8.04 0.05 1
148 14 14 LEU HA H 3.97 0.05 1
149 14 14 LEU HB2 H 1.90 0.05 1
150 14 14 LEU HB3 H 1.90 0.05 1
151 14 14 LEU HD1 H 0.86 0.05 1
152 14 14 LEU HD2 H 0.86 0.05 1
153 14 14 LEU HG H 1.63 0.05 1
154 14 14 LEU C C 176.88 0.1 1
155 14 14 LEU CA C 56.08 0.1 1
156 14 14 LEU CB C 41.33 0.1 1
157 14 14 LEU CD1 C 21.64 0.1 2
158 14 14 LEU CD2 C 23.10 0.1 2
159 14 14 LEU CG C 26.11 0.1 1
160 14 14 LEU N N 122.23 0.1 1
161 15 15 GLY H H 8.37 0.05 1
162 15 15 GLY HA2 H 3.97 0.05 2
163 15 15 GLY HA3 H 4.16 0.05 2
164 15 15 GLY C C 172.64 0.1 1
165 15 15 GLY CA C 45.84 0.1 1
166 15 15 GLY N N 115.66 0.1 1
167 16 16 GLY H H 8.22 0.05 1
168 16 16 GLY HA2 H 3.76 0.05 2
169 16 16 GLY HA3 H 3.96 0.05 2
170 16 16 GLY C C 174.78 0.1 1
171 16 16 GLY CA C 45.62 0.1 1
172 16 16 GLY N N 108.18 0.1 1
173 17 17 ARG H H 7.80 0.05 1
174 17 17 ARG HA H 4.14 0.05 1
175 17 17 ARG HB2 H 1.88 0.05 1
176 17 17 ARG HB3 H 1.88 0.05 1
177 17 17 ARG HD2 H 3.25 0.05 1
178 17 17 ARG HD3 H 3.25 0.05 1
179 17 17 ARG HG2 H 1.69 0.05 1
180 17 17 ARG HG3 H 1.69 0.05 1
181 17 17 ARG C C 177.10 0.1 1
182 17 17 ARG CA C 58.36 0.1 1
183 17 17 ARG CB C 30.40 0.1 1
184 17 17 ARG CD C 43.25 0.1 1
185 17 17 ARG CG C 27.43 0.1 1
186 17 17 ARG N N 124.02 0.1 1
187 18 18 VAL H H 7.75 0.05 1
188 18 18 VAL HA H 4.14 0.05 1
189 18 18 VAL HB H 2.05 0.05 1
190 18 18 VAL HG1 H 0.94 0.05 1
191 18 18 VAL HG2 H 0.94 0.05 1
192 18 18 VAL C C 174.68 0.1 1
193 18 18 VAL CA C 62.15 0.1 1
194 18 18 VAL CB C 32.14 0.1 1
195 18 18 VAL CG1 C 21.39 0.1 1
196 18 18 VAL CG2 C 21.39 0.1 1
197 18 18 VAL N N 118.44 0.1 1
198 19 19 LYS H H 8.52 0.05 1
199 19 19 LYS HA H 4.07 0.05 1
200 19 19 LYS HB2 H 1.68 0.05 1
201 19 19 LYS HB3 H 1.68 0.05 1
202 19 19 LYS HD2 H 1.55 0.05 1
203 19 19 LYS HD3 H 1.55 0.05 1
204 19 19 LYS HE2 H 2.97 0.05 1
205 19 19 LYS HE3 H 2.97 0.05 1
206 19 19 LYS HG2 H 1.20 0.05 1
207 19 19 LYS HG3 H 1.20 0.05 1
208 19 19 LYS C C 175.75 0.1 1
209 19 19 LYS CA C 56.61 0.1 1
210 19 19 LYS CB C 31.19 0.1 1
211 19 19 LYS CD C 28.62 0.1 1
212 19 19 LYS CG C 22.38 0.1 1
213 19 19 LYS N N 126.70 0.1 1
214 20 20 THR H H 7.84 0.05 1
215 20 20 THR HA H 4.54 0.05 1
216 20 20 THR HB H 4.24 0.05 1
217 20 20 THR HG2 H 1.18 0.05 1
218 20 20 THR C C 173.55 0.1 1
219 20 20 THR CA C 59.66 0.1 1
220 20 20 THR CB C 71.62 0.1 1
221 20 20 THR CG2 C 21.98 0.1 1
222 20 20 THR N N 113.75 0.1 1
223 21 21 TRP H H 8.58 0.05 1
224 21 21 TRP HA H 4.76 0.05 1
225 21 21 TRP HB2 H 2.87 0.05 1
226 21 21 TRP HB3 H 3.19 0.05 1
227 21 21 TRP HD1 H 7.42 0.05 1
228 21 21 TRP HE1 H 10.18 0.05 1
229 21 21 TRP HE3 H 7.42 0.05 1
230 21 21 TRP HH2 H 6.63 0.05 1
231 21 21 TRP HZ2 H 7.42 0.05 1
232 21 21 TRP HZ3 H 6.63 0.05 1
233 21 21 TRP C C 177.08 0.1 1
234 21 21 TRP CA C 57.40 0.1 1
235 21 21 TRP CB C 30.08 0.1 1
236 21 21 TRP N N 124.01 0.1 1
237 21 21 TRP NE1 N 130.15 0.1 1
238 22 22 LYS H H 8.78 0.05 1
239 22 22 LYS HA H 4.94 0.05 1
240 22 22 LYS HB2 H 1.77 0.05 1
241 22 22 LYS HB3 H 1.77 0.05 1
242 22 22 LYS HD2 H 1.67 0.05 1
243 22 22 LYS HD3 H 1.67 0.05 1
244 22 22 LYS HE2 H 2.90 0.05 1
245 22 22 LYS HE3 H 2.90 0.05 1
246 22 22 LYS HG2 H 1.54 0.05 1
247 22 22 LYS HG3 H 1.54 0.05 1
248 22 22 LYS C C 175.33 0.1 1
249 22 22 LYS CA C 54.05 0.1 1
250 22 22 LYS CB C 36.20 0.1 1
251 22 22 LYS CD C 24.51 0.1 1
252 22 22 LYS CG C 28.89 0.1 1
253 22 22 LYS N N 121.49 0.1 1
254 23 23 ARG H H 9.19 0.05 1
255 23 23 ARG HA H 4.79 0.05 1
256 23 23 ARG HB2 H 1.82 0.05 1
257 23 23 ARG HB3 H 1.82 0.05 1
258 23 23 ARG HD2 H 2.89 0.05 1
259 23 23 ARG HD3 H 2.89 0.05 1
260 23 23 ARG HG2 H 1.63 0.05 1
261 23 23 ARG HG3 H 1.63 0.05 1
262 23 23 ARG C C 176.99 0.1 1
263 23 23 ARG CA C 56.76 0.1 1
264 23 23 ARG CB C 30.65 0.1 1
265 23 23 ARG CD C 43.48 0.1 1
266 23 23 ARG CG C 28.61 0.1 1
267 23 23 ARG N N 126.23 0.1 1
268 24 24 ARG H H 9.83 0.05 1
269 24 24 ARG HA H 5.46 0.05 1
270 24 24 ARG HB2 H 1.89 0.05 1
271 24 24 ARG HB3 H 1.89 0.05 1
272 24 24 ARG HD2 H 2.89 0.05 1
273 24 24 ARG HD3 H 2.89 0.05 1
274 24 24 ARG HG2 H 1.48 0.05 1
275 24 24 ARG HG3 H 1.48 0.05 1
276 24 24 ARG C C 172.74 0.1 1
277 24 24 ARG CA C 53.47 0.1 1
278 24 24 ARG CB C 35.05 0.1 1
279 24 24 ARG CD C 40.07 0.1 1
280 24 24 ARG CG C 30.48 0.1 1
281 24 24 ARG N N 129.50 0.1 1
282 25 25 TRP H H 8.92 0.05 1
283 25 25 TRP HA H 4.80 0.05 1
284 25 25 TRP HB2 H 2.85 0.05 1
285 25 25 TRP HB3 H 2.85 0.05 1
286 25 25 TRP HD1 H 7.15 0.05 1
287 25 25 TRP HE1 H 10.24 0.05 1
288 25 25 TRP HE3 H 7.58 0.05 1
289 25 25 TRP HH2 H 6.68 0.05 1
290 25 25 TRP HZ2 H 7.58 0.05 1
291 25 25 TRP HZ3 H 6.68 0.05 1
292 25 25 TRP C C 175.01 0.1 1
293 25 25 TRP CA C 56.31 0.1 1
294 25 25 TRP CB C 29.24 0.1 1
295 25 25 TRP N N 126.13 0.1 1
296 25 25 TRP NE1 N 129.21 0.1 1
297 26 26 PHE H H 8.98 0.05 1
298 26 26 PHE HA H 5.42 0.05 1
299 26 26 PHE HB2 H 2.35 0.05 2
300 26 26 PHE HB3 H 2.87 0.05 2
301 26 26 PHE HD1 H 7.11 0.05 1
302 26 26 PHE HD2 H 7.11 0.05 1
303 26 26 PHE HE1 H 6.70 0.05 1
304 26 26 PHE HE2 H 6.70 0.05 1
305 26 26 PHE C C 174.96 0.1 1
306 26 26 PHE CA C 56.50 0.1 1
307 26 26 PHE CB C 43.60 0.1 1
308 26 26 PHE N N 128.86 0.1 1
309 27 27 ILE H H 9.15 0.05 1
310 27 27 ILE HA H 4.76 0.05 1
311 27 27 ILE HB H 1.81 0.05 1
312 27 27 ILE HD1 H 0.80 0.05 1
313 27 27 ILE HG12 H 1.23 0.05 1
314 27 27 ILE HG13 H 1.23 0.05 1
315 27 27 ILE HG2 H 0.98 0.05 1
316 27 27 ILE C C 174.59 0.1 1
317 27 27 ILE CA C 61.20 0.1 1
318 27 27 ILE CB C 42.93 0.1 1
319 27 27 ILE CG1 C 26.29 0.1 1
320 27 27 ILE CG2 C 17.82 0.1 1
321 27 27 ILE N N 115.88 0.1 1
322 28 28 LEU H H 8.98 0.05 1
323 28 28 LEU HA H 5.62 0.05 1
324 28 28 LEU HB2 H 1.79 0.05 2
325 28 28 LEU HB3 H 2.04 0.05 2
326 28 28 LEU HD1 H 0.91 0.05 1
327 28 28 LEU HD2 H 0.91 0.05 1
328 28 28 LEU HG H 1.55 0.05 1
329 28 28 LEU C C 175.08 0.1 1
330 28 28 LEU CA C 53.45 0.1 1
331 28 28 LEU CB C 44.77 0.1 1
332 28 28 LEU CD1 C 22.50 0.1 2
333 28 28 LEU CD2 C 24.08 0.1 2
334 28 28 LEU CG C 27.44 0.1 1
335 28 28 LEU N N 128.86 0.1 1
336 29 29 THR H H 9.04 0.05 1
337 29 29 THR HA H 4.80 0.05 1
338 29 29 THR HB H 4.33 0.05 1
339 29 29 THR HG2 H 1.24 0.05 1
340 29 29 THR C C 172.35 0.1 1
341 29 29 THR CA C 61.24 0.1 1
342 29 29 THR CB C 69.143 0.1 1
343 29 29 THR CG2 C 25.01 0.1 1
344 29 29 THR N N 121.80 0.1 1
345 30 30 ASP H H 9.20 0.05 1
346 30 30 ASP HA H 4.38 0.05 1
347 30 30 ASP HB2 H 2.82 0.05 1
348 30 30 ASP HB3 H 3.11 0.05 1
349 30 30 ASP C C 175.55 0.1 1
350 30 30 ASP CA C 55.87 0.1 1
351 30 30 ASP CB C 40.10 0.1 1
352 30 30 ASP N N 125.86 0.1 1
353 31 31 ASN H H 9.27 0.05 1
354 31 31 ASN HA H 4.23 0.05 1
355 31 31 ASN HB2 H 2.64 0.05 2
356 31 31 ASN HB3 H 3.24 0.05 2
357 31 31 ASN HD21 H 7.00 0.05 2
358 31 31 ASN HD22 H 7.57 0.05 2
359 31 31 ASN C C 174.48 0.1 1
360 31 31 ASN CA C 53.82 0.1 1
361 31 31 ASN CB C 38.86 0.1 1
362 31 31 ASN CG C 178.22 0.1 1
363 31 31 ASN N N 112.89 0.1 1
364 31 31 ASN ND2 N 113.23 0.1 1
365 32 32 CYS H H 8.11 0.05 1
366 32 32 CYS HA H 4.79 0.05 1
367 32 32 CYS HB2 H 2.85 0.05 2
368 32 32 CYS HB3 H 3.16 0.05 2
369 32 32 CYS CA C 58.26 0.1 1
370 32 32 CYS CB C 31.57 0.1 1
371 32 32 CYS N N 117.32 0.1 1
372 33 33 LEU HA H 5.44 0.05 1
373 33 33 LEU HB2 H 1.82 0.05 1
374 33 33 LEU HB3 H 1.82 0.05 1
375 33 33 LEU HD1 H 0.99 0.05 1
376 33 33 LEU HD2 H 0.99 0.05 1
377 33 33 LEU HG H 1.59 0.05 1
378 33 33 LEU C C 175.23 0.1 1
379 33 33 LEU CA C 53.08 0.1 1
380 33 33 LEU CB C 43.98 0.1 1
381 33 33 LEU CD1 C 25.18 0.1 1
382 33 33 LEU CD2 C 25.18 0.1 1
383 33 33 LEU CG C 25.18 0.1 1
384 34 34 TYR H H 9.44 0.05 1
385 34 34 TYR HA H 4.75 0.05 1
386 34 34 TYR HB2 H 2.38 0.05 2
387 34 34 TYR HB3 H 2.97 0.05 2
388 34 34 TYR HD1 H 6.92 0.05 1
389 34 34 TYR HD2 H 6.92 0.05 1
390 34 34 TYR HE1 H 6.62 0.05 1
391 34 34 TYR HE2 H 6.62 0.05 1
392 34 34 TYR C C 174.92 0.1 1
393 34 34 TYR CA C 56.85 0.1 1
394 34 34 TYR CB C 41.75 0.1 1
395 34 34 TYR N N 124.33 0.1 1
396 35 35 TYR H H 7.59 0.05 1
397 35 35 TYR HA H 4.35 0.05 1
398 35 35 TYR HB2 H 2.89 0.05 2
399 35 35 TYR HB3 H 1.73 0.05 2
400 35 35 TYR HD1 H 6.91 0.05 1
401 35 35 TYR HD2 H 6.91 0.05 1
402 35 35 TYR HE1 H 6.55 0.05 1
403 35 35 TYR HE2 H 6.55 0.05 1
404 35 35 TYR C C 174.20 0.1 1
405 35 35 TYR CA C 54.70 0.1 1
406 35 35 TYR CB C 38.89 0.1 1
407 35 35 TYR N N 114.35 0.1 1
408 36 36 PHE H H 9.50 0.05 1
409 36 36 PHE HA H 4.91 0.05 1
410 36 36 PHE HB2 H 2.93 0.05 2
411 36 36 PHE HB3 H 3.57 0.05 2
412 36 36 PHE HD1 H 7.26 0.05 1
413 36 36 PHE HD2 H 7.26 0.05 1
414 36 36 PHE HE1 H 6.65 0.05 1
415 36 36 PHE HE2 H 6.65 0.05 1
416 36 36 PHE HZ H 6.23 0.05 1
417 36 36 PHE C C 175.39 0.1 1
418 36 36 PHE CA C 56.91 0.1 1
419 36 36 PHE CB C 43.15 0.1 1
420 36 36 PHE N N 119.60 0.1 1
421 37 37 GLU H H 8.83 0.05 1
422 37 37 GLU HA H 4.23 0.05 1
423 37 37 GLU HB2 H 1.53 0.05 1
424 37 37 GLU HB3 H 1.53 0.05 1
425 37 37 GLU HG2 H 2.09 0.05 1
426 37 37 GLU HG3 H 2.09 0.05 1
427 37 37 GLU C C 174.39 0.1 1
428 37 37 GLU CA C 60.31 0.1 1
429 37 37 GLU CB C 30.08 0.1 1
430 37 37 GLU CG C 36.27 0.1 1
431 37 37 GLU N N 123.68 0.1 1
432 38 38 TYR H H 7.80 0.05 1
433 38 38 TYR HA H 5.29 0.05 1
434 38 38 TYR HB2 H 2.76 0.05 2
435 38 38 TYR HB3 H 3.31 0.05 2
436 38 38 TYR HD1 H 7.28 0.05 1
437 38 38 TYR HD2 H 7.28 0.05 1
438 38 38 TYR HE1 H 6.85 0.05 1
439 38 38 TYR HE2 H 6.85 0.05 1
440 38 38 TYR C C 176.97 0.1 1
441 38 38 TYR CA C 55.70 0.1 1
442 38 38 TYR CB C 41.60 0.1 1
443 38 38 TYR N N 112.45 0.1 1
444 39 39 THR H H 8.46 0.05 1
445 39 39 THR HA H 3.31 0.05 1
446 39 39 THR HB H 3.00 0.05 1
447 39 39 THR HG2 H 1.08 0.05 1
448 39 39 THR C C 175.10 0.1 1
449 39 39 THR CA C 64.35 0.1 1
450 39 39 THR CB C 68.01 0.1 1
451 39 39 THR CG2 C 17.97 0.1 1
452 39 39 THR N N 112.44 0.1 1
453 40 40 THR H H 6.81 0.05 1
454 40 40 THR HA H 4.48 0.05 1
455 40 40 THR HB H 4.06 0.05 1
456 40 40 THR HG2 H 1.08 0.05 1
457 40 40 THR C C 175.13 0.1 1
458 40 40 THR CA C 60.54 0.1 1
459 40 40 THR CB C 68.90 0.1 1
460 40 40 THR CG2 C 21.84 0.1 1
461 40 40 THR N N 105.45 0.1 1
462 41 41 ASP H H 7.27 0.05 1
463 41 41 ASP HA H 4.63 0.05 1
464 41 41 ASP HB2 H 3.16 0.05 1
465 41 41 ASP HB3 H 3.16 0.05 1
466 41 41 ASP C C 175.84 0.1 1
467 41 41 ASP CA C 55.37 0.1 1
468 41 41 ASP CB C 42.16 0.1 1
469 41 41 ASP N N 123.63 0.1 1
470 42 42 LYS H H 8.53 0.05 1
471 42 42 LYS HA H 4.32 0.05 1
472 42 42 LYS HB2 H 1.71 0.05 1
473 42 42 LYS HB3 H 1.71 0.05 1
474 42 42 LYS HD2 H 1.99 0.05 1
475 42 42 LYS HD3 H 1.99 0.05 1
476 42 42 LYS HE2 H 3.03 0.05 1
477 42 42 LYS HE3 H 3.03 0.05 1
478 42 42 LYS HG2 H 1.59 0.05 1
479 42 42 LYS HG3 H 1.59 0.05 1
480 42 42 LYS C C 176.66 0.1 1
481 42 42 LYS CA C 56.76 0.1 1
482 42 42 LYS CB C 33.52 0.1 1
483 42 42 LYS CD C 28.66 0.1 1
484 42 42 LYS CE C 42.60 0.1 1
485 42 42 LYS CG C 25.09 0.1 1
486 42 42 LYS N N 118.81 0.1 1
487 43 43 GLU H H 7.89 0.05 1
488 43 43 GLU HA H 4.60 0.05 1
489 43 43 GLU HB2 H 1.97 0.05 1
490 43 43 GLU HB3 H 1.97 0.05 1
491 43 43 GLU HG2 H 2.34 0.05 1
492 43 43 GLU HG3 H 2.34 0.05 1
493 43 43 GLU CA C 52.55 0.1 1
494 43 43 GLU CB C 31.34 0.1 1
495 43 43 GLU N N 117.06 0.1 1
496 44 44 PRO HA H 4.63 0.05 1
497 44 44 PRO HB2 H 1.99 0.05 1
498 44 44 PRO HB3 H 1.99 0.05 1
499 44 44 PRO HD2 H 3.88 0.05 1
500 44 44 PRO HD3 H 3.88 0.05 1
501 44 44 PRO HG2 H 1.99 0.05 1
502 44 44 PRO HG3 H 1.99 0.05 1
503 44 44 PRO C C 173.21 0.1 1
504 44 44 PRO CA C 63.87 0.1 1
505 44 44 PRO CB C 35.93 0.1 1
506 44 44 PRO CG C 28.87 0.1 1
507 45 45 ARG H H 8.40 0.05 1
508 45 45 ARG HA H 4.20 0.05 1
509 45 45 ARG HB2 H 1.72 0.05 1
510 45 45 ARG HB3 H 1.72 0.05 1
511 45 45 ARG HD2 H 3.36 0.05 1
512 45 45 ARG HD3 H 3.36 0.05 1
513 45 45 ARG HG2 H 1.50 0.05 1
514 45 45 ARG HG3 H 1.50 0.05 1
515 45 45 ARG C C 176.32 0.1 1
516 45 45 ARG CA C 55.20 0.1 1
517 45 45 ARG CB C 30.38 0.1 1
518 45 45 ARG CG C 28.76 0.1 1
519 45 45 ARG N N 122.19 0.1 1
520 46 46 GLY H H 6.49 0.05 1
521 46 46 GLY HA2 H 3.03 0.05 2
522 46 46 GLY HA3 H 3.84 0.05 2
523 46 46 GLY C C 169.59 0.1 1
524 46 46 GLY CA C 44.78 0.1 1
525 46 46 GLY N N 104.61 0.1 1
526 47 47 ILE H H 7.83 0.05 1
527 47 47 ILE HA H 4.37 0.05 1
528 47 47 ILE HB H 1.33 0.05 1
529 47 47 ILE HD1 H 0.42 0.05 1
530 47 47 ILE HG12 H 0.72 0.05 1
531 47 47 ILE HG13 H 0.72 0.05 1
532 47 47 ILE HG2 H 0.42 0.05 1
533 47 47 ILE C C 175.19 0.1 1
534 47 47 ILE CA C 60.78 0.1 1
535 47 47 ILE CB C 42.17 0.1 1
536 47 47 ILE CD1 C 15.76 0.1 1
537 47 47 ILE CG1 C 26.34 0.1 1
538 47 47 ILE CG2 C 17.10 0.1 1
539 47 47 ILE N N 116.95 0.1 1
540 48 48 ILE H H 9.18 0.05 1
541 48 48 ILE HA H 4.75 0.05 1
542 48 48 ILE HB H 1.85 0.05 1
543 48 48 ILE HD1 H 0.25 0.05 1
544 48 48 ILE HG12 H 0.84 0.05 1
545 48 48 ILE HG13 H 0.84 0.05 1
546 48 48 ILE HG2 H 0.41 0.05 1
547 48 48 ILE CA C 58.48 0.1 1
548 48 48 ILE CB C 40.12 0.1 1
549 48 48 ILE N N 127.16 0.1 1
550 50 50 LEU HA H 4.25 0.05 1
551 50 50 LEU HB2 H 1.66 0.05 1
552 50 50 LEU HB3 H 1.66 0.05 1
553 50 50 LEU HD1 H 0.73 0.05 1
554 50 50 LEU HD2 H 0.73 0.05 1
555 50 50 LEU HG H 1.46 0.05 1
556 50 50 LEU C C 177.23 0.1 1
557 50 50 LEU CA C 55.55 0.1 1
558 50 50 LEU CB C 41.41 0.1 1
559 50 50 LEU CG C 26.56 0.1 1
560 51 51 GLU H H 7.93 0.05 1
561 51 51 GLU HA H 4.03 0.05 1
562 51 51 GLU HB2 H 2.26 0.05 1
563 51 51 GLU HB3 H 2.26 0.05 1
564 51 51 GLU HG2 H 2.26 0.05 1
565 51 51 GLU HG3 H 2.26 0.05 1
566 51 51 GLU C C 176.84 0.1 1
567 51 51 GLU CA C 58.92 0.1 1
568 51 51 GLU CB C 29.62 0.1 1
569 51 51 GLU CG C 35.54 0.1 1
570 51 51 GLU N N 117.76 0.1 1
571 52 52 ASN H H 8.75 0.05 1
572 52 52 ASN HA H 4.60 0.05 1
573 52 52 ASN HB2 H 2.99 0.05 1
574 52 52 ASN HB3 H 2.99 0.05 1
575 52 52 ASN HD21 H 6.54 0.05 2
576 52 52 ASN HD22 H 7.48 0.05 2
577 52 52 ASN C C 174.13 0.1 1
578 52 52 ASN CA C 54.28 0.1 1
579 52 52 ASN CB C 38.50 0.1 1
580 52 52 ASN CG C 177.17 0.1 1
581 52 52 ASN N N 115.98 0.1 1
582 52 52 ASN ND2 N 108.92 0.1 1
583 53 53 LEU H H 7.76 0.05 1
584 53 53 LEU HA H 4.81 0.05 1
585 53 53 LEU HB2 H 1.81 0.05 1
586 53 53 LEU HB3 H 1.81 0.05 1
587 53 53 LEU HD1 H 0.72 0.05 1
588 53 53 LEU HD2 H 0.90 0.05 1
589 53 53 LEU HG H 1.41 0.05 1
590 53 53 LEU C C 176.32 0.1 1
591 53 53 LEU CA C 54.10 0.1 1
592 53 53 LEU CB C 43.77 0.1 1
593 53 53 LEU CD1 C 23.54 0.1 1
594 53 53 LEU CD2 C 23.54 0.1 1
595 53 53 LEU CG C 22.79 0.1 1
596 53 53 LEU N N 117.11 0.1 1
597 54 54 SER H H 8.58 0.05 1
598 54 54 SER HA H 4.61 0.05 1
599 54 54 SER HB2 H 4.00 0.05 2
600 54 54 SER HB3 H 3.40 0.05 2
601 54 54 SER C C 171.64 0.1 1
602 54 54 SER CA C 56.67 0.1 1
603 54 54 SER CB C 65.74 0.1 1
604 54 54 SER N N 114.03 0.1 1
605 55 55 ILE H H 8.40 0.05 1
606 55 55 ILE HA H 5.95 0.05 1
607 55 55 ILE HB H 1.78 0.05 1
608 55 55 ILE HD1 H 0.92 0.05 1
609 55 55 ILE HG12 H 1.63 0.05 1
610 55 55 ILE HG13 H 1.63 0.05 1
611 55 55 ILE HG2 H 0.92 0.05 1
612 55 55 ILE C C 174.71 0.1 1
613 55 55 ILE CA C 58.71 0.1 1
614 55 55 ILE CB C 42.47 0.1 1
615 55 55 ILE CD1 C 15.40 0.1 1
616 55 55 ILE CG1 C 28.22 0.1 1
617 55 55 ILE CG2 C 16.31 0.1 1
618 55 55 ILE N N 118.64 0.1 1
619 56 56 ARG H H 9.13 0.05 1
620 56 56 ARG HA H 5.11 0.05 1
621 56 56 ARG HB2 H 1.99 0.05 1
622 56 56 ARG HB3 H 1.99 0.05 1
623 56 56 ARG HD2 H 2.93 0.05 1
624 56 56 ARG HD3 H 2.93 0.05 1
625 56 56 ARG HG2 H 1.52 0.05 1
626 56 56 ARG HG3 H 1.52 0.05 1
627 56 56 ARG C C 174.67 0.1 1
628 56 56 ARG CA C 54.24 0.1 1
629 56 56 ARG CB C 33.01 0.1 1
630 56 56 ARG CD C 43.55 0.1 1
631 56 56 ARG CG C 26.20 0.1 1
632 56 56 ARG N N 122.03 0.1 1
633 57 57 GLU H H 9.13 0.05 1
634 57 57 GLU HA H 4.51 0.05 1
635 57 57 GLU HB2 H 2.19 0.05 1
636 57 57 GLU HB3 H 2.19 0.05 1
637 57 57 GLU HG2 H 2.42 0.05 1
638 57 57 GLU HG3 H 2.42 0.05 1
639 57 57 GLU C C 175.48 0.1 1
640 57 57 GLU CA C 57.84 0.1 1
641 57 57 GLU CB C 30.76 0.1 1
642 57 57 GLU CG C 38.28 0.1 1
643 57 57 GLU N N 123.34 0.1 1
644 58 58 VAL H H 7.36 0.05 1
645 58 58 VAL HA H 5.26 0.05 1
646 58 58 VAL HB H 2.03 0.05 1
647 58 58 VAL HG1 H 0.62 0.05 1
648 58 58 VAL HG2 H 0.62 0.05 1
649 58 58 VAL C C 173.21 0.1 1
650 58 58 VAL CA C 59.73 0.1 1
651 58 58 VAL CB C 36.05 0.1 1
652 58 58 VAL CG1 C 17.65 0.1 1
653 58 58 VAL CG2 C 17.65 0.1 1
654 58 58 VAL N N 113.81 0.1 1
655 59 59 GLU H H 8.40 0.05 1
656 59 59 GLU HA H 4.49 0.05 1
657 59 59 GLU HB2 H 2.21 0.05 1
658 59 59 GLU HB3 H 2.21 0.05 1
659 59 59 GLU HG2 H 2.21 0.05 1
660 59 59 GLU HG3 H 2.21 0.05 1
661 59 59 GLU C C 174.73 0.1 1
662 59 59 GLU CA C 55.12 0.1 1
663 59 59 GLU CB C 30.34 0.1 1
664 59 59 GLU CG C 36.09 0.1 1
665 59 59 GLU N N 122.19 0.1 1
666 60 60 ASP H H 9.13 0.05 1
667 60 60 ASP HA H 4.76 0.05 1
668 60 60 ASP HB2 H 1.95 0.05 2
669 60 60 ASP HB3 H 2.55 0.05 2
670 60 60 ASP CA C 51.70 0.1 1
671 60 60 ASP CB C 47.92 0.1 1
672 60 60 ASP N N 127.95 0.1 1
673 61 61 PRO HA H 4.41 0.05 1
674 61 61 PRO HB2 H 2.37 0.05 1
675 61 61 PRO HB3 H 2.37 0.05 1
676 61 61 PRO HD2 H 3.32 0.05 1
677 61 61 PRO HD3 H 3.32 0.05 1
678 61 61 PRO HG2 H 2.02 0.05 1
679 61 61 PRO HG3 H 2.02 0.05 1
680 61 61 PRO C C 176.92 0.1 1
681 61 61 PRO CA C 64.39 0.1 1
682 61 61 PRO CB C 32.51 0.1 1
683 61 61 PRO CG C 27.44 0.1 1
684 62 62 ARG H H 8.87 0.05 1
685 62 62 ARG HA H 4.53 0.05 1
686 62 62 ARG HB2 H 1.83 0.05 1
687 62 62 ARG HB3 H 1.83 0.05 1
688 62 62 ARG HD2 H 3.32 0.05 1
689 62 62 ARG HD3 H 3.32 0.05 1
690 62 62 ARG HG2 H 1.66 0.05 1
691 62 62 ARG HG3 H 1.66 0.05 1
692 62 62 ARG C C 176.18 0.1 1
693 62 62 ARG CA C 56.68 0.1 1
694 62 62 ARG CB C 33.63 0.1 1
695 62 62 ARG CD C 43.34 0.1 1
696 62 62 ARG CG C 27.37 0.1 1
697 62 62 ARG N N 115.82 0.1 1
698 63 63 LYS H H 8.42 0.05 1
699 63 63 LYS HA H 4.52 0.05 1
700 63 63 LYS HB2 H 1.90 0.05 1
701 63 63 LYS HB3 H 1.90 0.05 1
702 63 63 LYS HD2 H 1.66 0.05 1
703 63 63 LYS HD3 H 1.66 0.05 1
704 63 63 LYS HE2 H 2.55 0.05 1
705 63 63 LYS HE3 H 2.55 0.05 1
706 63 63 LYS HG2 H 1.13 0.05 1
707 63 63 LYS HG3 H 1.13 0.05 1
708 63 63 LYS CA C 50.94 0.1 1
709 63 63 LYS CB C 32.75 0.1 1
710 63 63 LYS N N 120.47 0.1 1
711 64 64 PRO HA H 4.72 0.05 1
712 64 64 PRO HB2 H 2.11 0.05 1
713 64 64 PRO HB3 H 2.11 0.05 1
714 64 64 PRO HD2 H 3.25 0.05 1
715 64 64 PRO HD3 H 3.25 0.05 1
716 64 64 PRO HG2 H 1.83 0.05 1
717 64 64 PRO HG3 H 1.83 0.05 1
718 64 64 PRO C C 175.88 0.1 1
719 64 64 PRO CA C 61.70 0.1 1
720 64 64 PRO CB C 33.47 0.1 1
721 64 64 PRO CG C 25.95 0.1 1
722 65 65 ASN H H 9.12 0.05 1
723 65 65 ASN HA H 4.33 0.05 1
724 65 65 ASN HB2 H 2.29 0.05 1
725 65 65 ASN HB3 H 2.29 0.05 1
726 65 65 ASN HD21 H 6.89 0.05 2
727 65 65 ASN HD22 H 7.55 0.05 2
728 65 65 ASN C C 175.26 0.1 1
729 65 65 ASN CA C 53.47 0.1 1
730 65 65 ASN CB C 37.53 0.1 1
731 65 65 ASN CG C 180.34 0.1 1
732 65 65 ASN N N 113.45 0.1 1
733 65 65 ASN ND2 N 112.46 0.1 1
734 66 66 CYS H H 9.10 0.05 1
735 66 66 CYS HA H 5.96 0.05 1
736 66 66 CYS HB2 H 3.07 0.05 1
737 66 66 CYS HB3 H 3.07 0.05 1
738 66 66 CYS C C 175.89 0.1 1
739 66 66 CYS CA C 59.42 0.1 1
740 66 66 CYS CB C 30.52 0.1 1
741 66 66 CYS N N 115.21 0.1 1
742 67 67 PHE H H 8.99 0.05 1
743 67 67 PHE HA H 5.28 0.05 1
744 67 67 PHE HB2 H 3.19 0.05 1
745 67 67 PHE HB3 H 3.19 0.05 1
746 67 67 PHE HD1 H 6.90 0.05 1
747 67 67 PHE HD2 H 6.90 0.05 1
748 67 67 PHE HE1 H 6.90 0.05 1
749 67 67 PHE HE2 H 6.90 0.05 1
750 67 67 PHE C C 172.28 0.1 1
751 67 67 PHE CA C 56.21 0.1 1
752 67 67 PHE CB C 41.52 0.1 1
753 67 67 PHE N N 116.42 0.1 1
754 68 68 GLU H H 9.73 0.05 1
755 68 68 GLU HA H 5.74 0.05 1
756 68 68 GLU HB2 H 1.78 0.05 1
757 68 68 GLU HB3 H 1.78 0.05 1
758 68 68 GLU HG2 H 2.14 0.05 1
759 68 68 GLU HG3 H 2.14 0.05 1
760 68 68 GLU C C 176.14 0.1 1
761 68 68 GLU CA C 54.00 0.1 1
762 68 68 GLU CB C 35.15 0.1 1
763 68 68 GLU CG C 38.03 0.1 1
764 68 68 GLU N N 117.57 0.1 1
765 69 69 LEU H H 8.82 0.05 1
766 69 69 LEU HA H 5.74 0.05 1
767 69 69 LEU HB2 H 1.90 0.05 1
768 69 69 LEU HB3 H 1.90 0.05 1
769 69 69 LEU HD1 H 0.86 0.05 1
770 69 69 LEU HD2 H 0.86 0.05 1
771 69 69 LEU HG H 1.73 0.05 1
772 69 69 LEU C C 175.65 0.1 1
773 69 69 LEU CA C 53.08 0.1 1
774 69 69 LEU CB C 44.30 0.1 1
775 69 69 LEU CD2 C 18.79 0.1 1
776 69 69 LEU CG C 24.57 0.1 1
777 69 69 LEU N N 121.85 0.1 1
778 70 70 TYR H H 8.85 0.05 1
779 70 70 TYR HA H 5.37 0.05 1
780 70 70 TYR HB2 H 2.83 0.05 2
781 70 70 TYR HB3 H 2.99 0.05 2
782 70 70 TYR HD1 H 6.83 0.05 1
783 70 70 TYR HD2 H 6.83 0.05 1
784 70 70 TYR HE1 H 6.51 0.05 1
785 70 70 TYR HE2 H 6.51 0.05 1
786 70 70 TYR C C 171.72 0.1 1
787 70 70 TYR CA C 55.36 0.1 1
788 70 70 TYR CB C 42.02 0.1 1
789 70 70 TYR N N 119.69 0.1 1
790 71 71 ASN H H 8.96 0.05 1
791 71 71 ASN HA H 4.76 0.05 1
792 71 71 ASN HB2 H 2.59 0.05 1
793 71 71 ASN HB3 H 2.59 0.05 1
794 71 71 ASN HD21 H 7.07 0.05 2
795 71 71 ASN HD22 H 7.58 0.05 2
796 71 71 ASN CA C 49.79 0.1 1
797 71 71 ASN CB C 39.84 0.1 1
798 71 71 ASN CG C 176.63 0.1 1
799 71 71 ASN N N 120.64 0.1 1
800 71 71 ASN ND2 N 111.42 0.1 1
801 72 72 PRO HA H 4.57 0.05 1
802 72 72 PRO HB2 H 2.13 0.05 1
803 72 72 PRO HB3 H 2.13 0.05 1
804 72 72 PRO HD2 H 3.93 0.05 1
805 72 72 PRO HD3 H 3.93 0.05 1
806 72 72 PRO HG2 H 1.85 0.05 1
807 72 72 PRO HG3 H 1.85 0.05 1
808 72 72 PRO C C 176.88 0.1 1
809 72 72 PRO CA C 63.79 0.1 1
810 72 72 PRO CB C 32.51 0.1 1
811 72 72 PRO CG C 26.65 0.1 1
812 73 73 SER H H 8.37 0.05 1
813 73 73 SER HA H 4.45 0.05 1
814 73 73 SER HB2 H 3.97 0.05 1
815 73 73 SER HB3 H 3.97 0.05 1
816 73 73 SER C C 174.13 0.1 1
817 73 73 SER CA C 58.97 0.1 1
818 73 73 SER CB C 64.03 0.1 1
819 73 73 SER N N 115.34 0.1 1
820 74 74 HIS H H 7.77 0.05 1
821 74 74 HIS HA H 4.37 0.05 1
822 74 74 HIS HB2 H 3.13 0.05 1
823 74 74 HIS HB3 H 3.13 0.05 1
824 74 74 HIS C C 175.19 0.1 1
825 74 74 HIS CA C 56.18 0.1 1
826 74 74 HIS CB C 30.30 0.1 1
827 74 74 HIS N N 122.15 0.1 1
828 75 75 LYS H H 8.27 0.05 1
829 75 75 LYS HA H 4.31 0.05 1
830 75 75 LYS HB2 H 1.71 0.05 1
831 75 75 LYS HB3 H 1.71 0.05 1
832 75 75 LYS HD2 H 1.71 0.05 1
833 75 75 LYS HD3 H 1.71 0.05 1
834 75 75 LYS HE2 H 3.02 0.05 1
835 75 75 LYS HE3 H 3.02 0.05 1
836 75 75 LYS HG2 H 1.39 0.05 1
837 75 75 LYS HG3 H 1.39 0.05 1
838 75 75 LYS C C 176.92 0.1 1
839 75 75 LYS CA C 56.73 0.1 1
840 75 75 LYS CB C 32.90 0.1 1
841 75 75 LYS CD C 29.04 0.1 1
842 75 75 LYS CG C 24.63 0.1 1
843 75 75 LYS N N 123.02 0.1 1
844 76 76 GLY H H 8.46 0.05 1
845 76 76 GLY HA2 H 3.96 0.05 1
846 76 76 GLY HA3 H 3.96 0.05 1
847 76 76 GLY C C 173.97 0.1 1
848 76 76 GLY CA C 45.35 0.1 1
849 76 76 GLY N N 110.21 0.1 1
850 77 77 GLN H H 8.17 0.05 1
851 77 77 GLN HA H 4.39 0.05 1
852 77 77 GLN HB2 H 2.34 0.05 1
853 77 77 GLN HB3 H 2.34 0.05 1
854 77 77 GLN HE21 H 6.89 0.05 2
855 77 77 GLN HE22 H 7.55 0.05 2
856 77 77 GLN HG2 H 2.34 0.05 1
857 77 77 GLN HG3 H 2.34 0.05 1
858 77 77 GLN C C 175.93 0.1 1
859 77 77 GLN CA C 55.84 0.1 1
860 77 77 GLN CB C 29.55 0.1 1
861 77 77 GLN CD C 180.35 0.1 1
862 77 77 GLN CG C 33.86 0.1 1
863 77 77 GLN N N 119.93 0.1 1
864 77 77 GLN NE2 N 111.99 0.1 1
865 78 78 VAL H H 8.27 0.05 1
866 78 78 VAL HA H 4.10 0.05 1
867 78 78 VAL HB H 2.04 0.05 1
868 78 78 VAL HG1 H 0.91 0.05 1
869 78 78 VAL HG2 H 0.91 0.05 1
870 78 78 VAL C C 176.04 0.1 1
871 78 78 VAL CA C 62.77 0.1 1
872 78 78 VAL CB C 32.65 0.1 1
873 78 78 VAL CG1 C 21.16 0.1 1
874 78 78 VAL CG2 C 21.16 0.1 1
875 78 78 VAL N N 122.25 0.1 1
876 79 79 ILE H H 8.30 0.05 1
877 79 79 ILE HA H 4.18 0.05 1
878 79 79 ILE HB H 1.83 0.05 1
879 79 79 ILE HD1 H 0.87 0.05 1
880 79 79 ILE HG12 H 1.17 0.05 2
881 79 79 ILE HG13 H 1.46 0.05 2
882 79 79 ILE HG2 H 0.87 0.05 1
883 79 79 ILE C C 176.07 0.1 1
884 79 79 ILE CA C 52.69 0.1 1
885 79 79 ILE CB C 38.45 0.1 1
886 79 79 ILE CG1 C 27.25 0.1 1
887 79 79 ILE CG2 C 17.50 0.1 1
888 79 79 ILE N N 125.48 0.1 1
889 80 80 LYS H H 8.38 0.05 1
890 80 80 LYS HA H 4.32 0.05 1
891 80 80 LYS HB2 H 1.73 0.05 1
892 80 80 LYS HB3 H 1.73 0.05 1
893 80 80 LYS HD2 H 1.43 0.05 1
894 80 80 LYS HD3 H 1.43 0.05 1
895 80 80 LYS HE2 H 3.01 0.05 1
896 80 80 LYS HE3 H 3.01 0.05 1
897 80 80 LYS HG2 H 0.93 0.05 1
898 80 80 LYS HG3 H 0.93 0.05 1
899 80 80 LYS C C 176.01 0.1 1
900 80 80 LYS CA C 56.26 0.1 1
901 80 80 LYS CB C 33.19 0.1 1
902 80 80 LYS CD C 29.07 0.1 1
903 80 80 LYS CE C 42.34 0.1 1
904 80 80 LYS CG C 24.82 0.1 1
905 80 80 LYS N N 126.06 0.1 1
906 81 81 ALA H H 8.32 0.05 1
907 81 81 ALA HA H 4.35 0.05 1
908 81 81 ALA HB H 1.40 0.05 1
909 81 81 ALA C C 177.42 0.1 1
910 81 81 ALA CA C 51.96 0.1 1
911 81 81 ALA CB C 19.44 0.1 1
912 81 81 ALA N N 125.25 0.1 1
913 82 82 CYS H H 8.30 0.05 1
914 82 82 CYS HA H 4.77 0.05 1
915 82 82 CYS HB2 H 2.95 0.05 1
916 82 82 CYS HB3 H 2.95 0.05 1
917 82 82 CYS C C 174.56 0.1 1
918 82 82 CYS CA C 58.46 0.1 1
919 82 82 CYS CB C 28.24 0.1 1
920 82 82 CYS N N 118.32 0.1 1
921 83 83 LYS H H 8.52 0.05 1
922 83 83 LYS HA H 4.45 0.05 1
923 83 83 LYS HB2 H 1.74 0.05 1
924 83 83 LYS HB3 H 1.74 0.05 1
925 83 83 LYS HD2 H 1.88 0.05 1
926 83 83 LYS HD3 H 1.88 0.05 1
927 83 83 LYS HE2 H 3.00 0.05 1
928 83 83 LYS HE3 H 3.00 0.05 1
929 83 83 LYS HG2 H 1.45 0.05 1
930 83 83 LYS HG3 H 1.45 0.05 1
931 83 83 LYS C C 176.49 0.1 1
932 83 83 LYS CA C 56.71 0.1 1
933 83 83 LYS CB C 33.29 0.1 1
934 83 83 LYS CD C 29.05 0.1 1
935 83 83 LYS CE C 42.48 0.1 1
936 83 83 LYS CG C 24.75 0.1 1
937 83 83 LYS N N 123.79 0.1 1
938 84 84 THR H H 8.20 0.05 1
939 84 84 THR HA H 4.50 0.05 1
940 84 84 THR HB H 4.26 0.05 1
941 84 84 THR HG2 H 1.22 0.05 1
942 84 84 THR C C 174.82 0.1 1
943 84 84 THR CA C 61.80 0.1 1
944 84 84 THR CB C 70.27 0.1 1
945 84 84 THR CG2 C 21.86 0.1 1
946 84 84 THR N N 114.65 0.1 1
947 85 85 GLU H H 8.51 0.05 1
948 85 85 GLU HA H 4.37 0.05 1
949 85 85 GLU HB2 H 2.30 0.05 1
950 85 85 GLU HB3 H 2.30 0.05 1
951 85 85 GLU HG2 H 2.30 0.05 1
952 85 85 GLU HG3 H 2.30 0.05 1
953 85 85 GLU C C 176.82 0.1 1
954 85 85 GLU CA C 56.65 0.1 1
955 85 85 GLU CB C 30.14 0.1 1
956 85 85 GLU CG C 36.29 0.1 1
957 85 85 GLU N N 122.91 0.1 1
958 86 86 ALA H H 8.44 0.05 1
959 86 86 ALA HA H 4.77 0.05 1
960 86 86 ALA HB H 1.42 0.05 1
961 86 86 ALA C C 177.74 0.1 1
962 86 86 ALA CA C 53.42 0.1 1
963 86 86 ALA CB C 19.24 0.1 1
964 86 86 ALA N N 124.48 0.1 1
965 87 87 ASP H H 8.19 0.05 1
966 87 87 ASP HA H 4.58 0.05 1
967 87 87 ASP HB2 H 2.76 0.05 1
968 87 87 ASP HB3 H 2.76 0.05 1
969 87 87 ASP C C 176.93 0.1 1
970 87 87 ASP CA C 54.40 0.1 1
971 87 87 ASP CB C 41.12 0.1 1
972 87 87 ASP N N 118.32 0.1 1
973 88 88 GLY H H 8.27 0.05 1
974 88 88 GLY HA2 H 3.96 0.05 1
975 88 88 GLY HA3 H 3.96 0.05 1
976 88 88 GLY C C 174.25 0.1 1
977 88 88 GLY CA C 45.56 0.1 1
978 88 88 GLY N N 108.64 0.1 1
979 89 89 ARG H H 8.01 0.05 1
980 89 89 ARG HA H 4.35 0.05 1
981 89 89 ARG HB2 H 1.80 0.05 1
982 89 89 ARG HB3 H 1.80 0.05 1
983 89 89 ARG HD2 H 3.20 0.05 1
984 89 89 ARG HD3 H 3.20 0.05 1
985 89 89 ARG HG2 H 1.60 0.05 1
986 89 89 ARG HG3 H 1.60 0.05 1
987 89 89 ARG C C 176.11 0.1 1
988 89 89 ARG CA C 56.64 0.1 1
989 89 89 ARG CB C 30.94 0.1 1
990 89 89 ARG CD C 43.53 0.1 1
991 89 89 ARG CG C 27.19 0.1 1
992 89 89 ARG N N 120.48 0.1 1
993 90 90 VAL H H 8.23 0.05 1
994 90 90 VAL HA H 4.19 0.05 1
995 90 90 VAL HB H 2.04 0.05 1
996 90 90 VAL HG1 H 0.92 0.05 2
997 90 90 VAL HG2 H 0.97 0.05 2
998 90 90 VAL C C 176.18 0.1 1
999 90 90 VAL CA C 62.60 0.1 1
1000 90 90 VAL CB C 32.70 0.1 1
1001 90 90 VAL CG1 C 21.24 0.1 1
1002 90 90 VAL CG2 C 21.24 0.1 1
1003 90 90 VAL N N 122.00 0.1 1
1004 91 91 VAL H H 8.34 0.05 1
1005 91 91 VAL HA H 4.19 0.05 1
1006 91 91 VAL HB H 2.05 0.05 1
1007 91 91 VAL HG1 H 0.91 0.05 1
1008 91 91 VAL HG2 H 0.91 0.05 1
1009 91 91 VAL C C 175.92 0.1 1
1010 91 91 VAL CA C 62.12 0.1 1
1011 91 91 VAL CB C 32.99 0.1 1
1012 91 91 VAL CG1 C 21.18 0.1 1
1013 91 91 VAL CG2 C 21.18 0.1 1
1014 91 91 VAL N N 124.92 0.1 1
1015 92 92 GLU H H 8.53 0.05 1
1016 92 92 GLU HA H 4.33 0.05 1
1017 92 92 GLU HB2 H 2.05 0.05 1
1018 92 92 GLU HB3 H 2.05 0.05 1
1019 92 92 GLU HG2 H 2.28 0.05 1
1020 92 92 GLU HG3 H 2.28 0.05 1
1021 92 92 GLU C C 176.83 0.1 1
1022 92 92 GLU CA C 56.74 0.1 1
1023 92 92 GLU CB C 30.37 0.1 1
1024 92 92 GLU CG C 36.33 0.1 1
1025 92 92 GLU N N 125.17 0.1 1
1026 93 93 GLY H H 8.41 0.05 1
1027 93 93 GLY HA2 H 3.94 0.05 1
1028 93 93 GLY HA3 H 3.94 0.05 1
1029 93 93 GLY C C 173.79 0.1 1
1030 93 93 GLY CA C 45.38 0.1 1
1031 93 93 GLY N N 109.73 0.1 1
1032 94 94 ASN H H 8.33 0.05 1
1033 94 94 ASN HA H 4.69 0.05 1
1034 94 94 ASN HB2 H 2.75 0.05 1
1035 94 94 ASN HB3 H 2.75 0.05 1
1036 94 94 ASN HD21 H 6.79 0.05 2
1037 94 94 ASN HD22 H 7.53 0.05 2
1038 94 94 ASN C C 174.95 0.1 1
1039 94 94 ASN CA C 53.30 0.1 1
1040 94 94 ASN CB C 38.89 0.1 1
1041 94 94 ASN CG C 180.35 0.1 1
1042 94 94 ASN N N 118.15 0.1 1
1043 94 94 ASN ND2 N 112.66 0.1 1
1044 95 95 HIS H H 8.36 0.05 1
1045 95 95 HIS HA H 4.01 0.05 1
1046 95 95 HIS HB2 H 3.16 0.05 1
1047 95 95 HIS HB3 H 3.16 0.05 1
1048 95 95 HIS C C 174.50 0.1 1
1049 95 95 HIS CA C 55.77 0.1 1
1050 95 95 HIS CB C 29.98 0.1 1
1051 95 95 HIS N N 119.75 0.1 1
1052 96 96 VAL H H 8.12 0.05 1
1053 96 96 VAL HA H 4.51 0.05 1
1054 96 96 VAL HB H 2.32 0.05 1
1055 96 96 VAL HG1 H 0.93 0.05 1
1056 96 96 VAL HG2 H 0.93 0.05 1
1057 96 96 VAL C C 176.13 0.1 1
1058 96 96 VAL CA C 62.13 0.1 1
1059 96 96 VAL CB C 34.09 0.1 1
1060 96 96 VAL CG1 C 21.26 0.1 1
1061 96 96 VAL CG2 C 21.26 0.1 1
1062 96 96 VAL N N 122.64 0.1 1
1063 97 97 VAL H H 8.28 0.05 1
1064 97 97 VAL HA H 4.15 0.05 1
1065 97 97 VAL HB H 2.07 0.05 1
1066 97 97 VAL HG1 H 0.91 0.05 1
1067 97 97 VAL HG2 H 0.91 0.05 1
1068 97 97 VAL C C 177.74 0.1 1
1069 97 97 VAL CA C 60.87 0.1 1
1070 97 97 VAL CB C 32.59 0.1 1
1071 97 97 VAL CG1 C 21.22 0.1 2
1072 97 97 VAL CG2 C 24.35 0.1 2
1073 97 97 VAL N N 124.85 0.1 1
1074 98 98 TYR H H 8.19 0.05 1
1075 98 98 TYR HA H 4.63 0.05 1
1076 98 98 TYR HB2 H 2.69 0.05 1
1077 98 98 TYR HB3 H 2.69 0.05 1
1078 98 98 TYR HD1 H 6.81 0.05 1
1079 98 98 TYR HD2 H 6.81 0.05 1
1080 98 98 TYR C C 176.20 0.1 1
1081 98 98 TYR CA C 54.53 0.1 1
1082 98 98 TYR CB C 41.53 0.1 1
1083 98 98 TYR N N 118.32 0.1 1
1084 99 99 ARG H H 8.33 0.05 1
1085 99 99 ARG HA H 4.93 0.05 1
1086 99 99 ARG HB2 H 1.82 0.05 1
1087 99 99 ARG HB3 H 1.82 0.05 1
1088 99 99 ARG HD2 H 3.09 0.05 1
1089 99 99 ARG HD3 H 3.09 0.05 1
1090 99 99 ARG HG2 H 1.47 0.05 1
1091 99 99 ARG HG3 H 1.47 0.05 1
1092 99 99 ARG C C 172.77 0.1 1
1093 99 99 ARG CA C 55.98 0.1 1
1094 99 99 ARG CB C 32.11 0.1 1
1095 99 99 ARG CG C 28.90 0.1 1
1096 99 99 ARG N N 120.71 0.1 1
1097 100 100 ILE H H 8.65 0.05 1
1098 100 100 ILE HA H 4.93 0.05 1
1099 100 100 ILE HB H 1.83 0.05 1
1100 100 100 ILE HD1 H 0.16 0.05 1
1101 100 100 ILE HG12 H 0.68 0.05 1
1102 100 100 ILE HG13 H 0.68 0.05 1
1103 100 100 ILE HG2 H 0.16 0.05 1
1104 100 100 ILE C C 173.81 0.1 1
1105 100 100 ILE CA C 58.20 0.1 1
1106 100 100 ILE CB C 40.33 0.1 1
1107 100 100 ILE CG1 C 27.29 0.1 1
1108 100 100 ILE CG2 C 20.83 0.1 1
1109 100 100 ILE N N 127.79 0.1 1
1110 101 101 SER H H 8.81 0.05 1
1111 101 101 SER HA H 4.34 0.05 1
1112 101 101 SER HB2 H 3.08 0.05 2
1113 101 101 SER HB3 H 3.43 0.05 2
1114 101 101 SER C C 174.65 0.1 1
1115 101 101 SER CA C 55.92 0.1 1
1116 101 101 SER CB C 65.13 0.1 1
1117 101 101 SER N N 117.85 0.1 1
1118 102 102 ALA H H 8.45 0.05 1
1119 102 102 ALA HA H 3.81 0.05 1
1120 102 102 ALA HB H 1.55 0.05 1
1121 102 102 ALA CA C 49.04 0.1 1
1122 102 102 ALA CB C 19.63 0.1 1
1123 102 102 ALA N N 130.44 0.1 1
1124 103 103 PRO HA H 4.40 0.05 1
1125 103 103 PRO HB2 H 2.33 0.05 1
1126 103 103 PRO HB3 H 2.33 0.05 1
1127 103 103 PRO HD2 H 3.74 0.05 1
1128 103 103 PRO HD3 H 3.74 0.05 1
1129 103 103 PRO HG2 H 2.33 0.05 1
1130 103 103 PRO HG3 H 2.33 0.05 1
1131 103 103 PRO C C 175.60 0.1 1
1132 103 103 PRO CA C 64.92 0.1 1
1133 103 103 PRO CB C 32.26 0.1 1
1134 103 103 PRO CG C 27.87 0.1 1
1135 104 104 SER H H 7.20 0.05 1
1136 104 104 SER HA H 4.13 0.05 1
1137 104 104 SER HB2 H 3.88 0.05 1
1138 104 104 SER HB3 H 3.88 0.05 1
1139 104 104 SER CA C 56.28 0.1 1
1140 104 104 SER CB C 64.29 0.1 1
1141 104 104 SER N N 108.58 0.1 1
1142 105 105 PRO HA H 4.21 0.05 1
1143 105 105 PRO HB2 H 2.23 0.05 1
1144 105 105 PRO HB3 H 2.23 0.05 1
1145 105 105 PRO HD2 H 2.52 0.05 1
1146 105 105 PRO HD3 H 2.52 0.05 1
1147 105 105 PRO HG2 H 2.09 0.05 1
1148 105 105 PRO HG3 H 2.09 0.05 1
1149 105 105 PRO C C 179.17 0.1 1
1150 105 105 PRO CA C 65.69 0.1 1
1151 105 105 PRO CB C 31.84 0.1 1
1152 105 105 PRO CG C 27.71 0.1 1
1153 106 106 GLU H H 9.17 0.05 1
1154 106 106 GLU HA H 4.13 0.05 1
1155 106 106 GLU HB2 H 1.64 0.05 2
1156 106 106 GLU HB3 H 2.05 0.05 2
1157 106 106 GLU HG2 H 2.32 0.05 2
1158 106 106 GLU HG3 H 2.56 0.05 2
1159 106 106 GLU C C 179.48 0.1 1
1160 106 106 GLU CA C 60.74 0.1 1
1161 106 106 GLU CB C 28.20 0.1 1
1162 106 106 GLU CG C 37.07 0.1 1
1163 106 106 GLU N N 119.12 0.1 1
1164 107 107 GLU H H 8.12 0.05 1
1165 107 107 GLU HA H 4.40 0.05 1
1166 107 107 GLU HB2 H 2.18 0.05 1
1167 107 107 GLU HB3 H 2.18 0.05 1
1168 107 107 GLU HG2 H 2.41 0.05 1
1169 107 107 GLU HG3 H 2.41 0.05 1
1170 107 107 GLU C C 178.93 0.1 1
1171 107 107 GLU CA C 59.58 0.1 1
1172 107 107 GLU CB C 30.35 0.1 1
1173 107 107 GLU CG C 38.33 0.1 1
1174 107 107 GLU N N 118.61 0.1 1
1175 108 108 LYS H H 8.15 0.05 1
1176 108 108 LYS HA H 3.82 0.05 1
1177 108 108 LYS HB2 H 1.98 0.05 1
1178 108 108 LYS HB3 H 1.98 0.05 1
1179 108 108 LYS HD2 H 1.59 0.05 1
1180 108 108 LYS HD3 H 1.59 0.05 1
1181 108 108 LYS HE2 H 2.96 0.05 2
1182 108 108 LYS HE3 H 3.11 0.05 2
1183 108 108 LYS HG2 H 1.20 0.05 1
1184 108 108 LYS HG3 H 1.20 0.05 1
1185 108 108 LYS C C 177.34 0.1 1
1186 108 108 LYS CA C 60.74 0.1 1
1187 108 108 LYS CB C 31.83 0.1 1
1188 108 108 LYS CD C 28.83 0.1 1
1189 108 108 LYS CG C 22.83 0.1 1
1190 108 108 LYS N N 120.85 0.1 1
1191 109 109 GLU H H 8.12 0.05 1
1192 109 109 GLU HA H 3.95 0.05 1
1193 109 109 GLU HB2 H 2.36 0.05 1
1194 109 109 GLU HB3 H 2.36 0.05 1
1195 109 109 GLU HG2 H 2.42 0.05 1
1196 109 109 GLU HG3 H 2.42 0.05 1
1197 109 109 GLU C C 179.32 0.1 1
1198 109 109 GLU CA C 59.75 0.1 1
1199 109 109 GLU CB C 29.22 0.1 1
1200 109 109 GLU CG C 35.94 0.1 1
1201 109 109 GLU N N 118.49 0.1 1
1202 110 110 GLU H H 8.13 0.05 1
1203 110 110 GLU HA H 4.04 0.05 1
1204 110 110 GLU HB2 H 2.36 0.05 1
1205 110 110 GLU HB3 H 2.36 0.05 1
1206 110 110 GLU HG2 H 2.36 0.05 1
1207 110 110 GLU HG3 H 2.36 0.05 1
1208 110 110 GLU C C 180.40 0.1 1
1209 110 110 GLU CA C 59.22 0.1 1
1210 110 110 GLU CB C 28.91 0.1 1
1211 110 110 GLU CG C 35.71 0.1 1
1212 110 110 GLU N N 117.93 0.1 1
1213 111 111 TRP H H 8.63 0.05 1
1214 111 111 TRP HA H 4.00 0.05 1
1215 111 111 TRP HB2 H 2.95 0.05 2
1216 111 111 TRP HB3 H 3.35 0.05 2
1217 111 111 TRP HD1 H 6.81 0.05 1
1218 111 111 TRP HE1 H 10.11 0.05 1
1219 111 111 TRP HE3 H 7.36 0.05 1
1220 111 111 TRP HH2 H 6.56 0.05 1
1221 111 111 TRP HZ2 H 7.36 0.05 1
1222 111 111 TRP HZ3 H 6.56 0.05 1
1223 111 111 TRP C C 178.73 0.1 1
1224 111 111 TRP CA C 62.54 0.1 1
1225 111 111 TRP CB C 28.76 0.1 1
1226 111 111 TRP N N 119.78 0.1 1
1227 111 111 TRP NE1 N 130.44 0.1 1
1228 112 112 MET H H 8.48 0.05 1
1229 112 112 MET HA H 3.94 0.05 1
1230 112 112 MET HB2 H 1.86 0.05 1
1231 112 112 MET HB3 H 1.86 0.05 1
1232 112 112 MET HE H 1.63 0.05 1
1233 112 112 MET HG2 H 2.41 0.05 1
1234 112 112 MET HG3 H 2.41 0.05 1
1235 112 112 MET C C 176.24 0.1 1
1236 112 112 MET CA C 60.91 0.1 1
1237 112 112 MET CB C 32.76 0.1 1
1238 112 112 MET N N 116.80 0.1 1
1239 113 113 LYS H H 8.15 0.05 1
1240 113 113 LYS HA H 3.90 0.05 1
1241 113 113 LYS HB2 H 1.86 0.05 1
1242 113 113 LYS HB3 H 1.86 0.05 1
1243 113 113 LYS HD2 H 1.66 0.05 1
1244 113 113 LYS HD3 H 1.66 0.05 1
1245 113 113 LYS HE2 H 2.94 0.05 1
1246 113 113 LYS HE3 H 2.94 0.05 1
1247 113 113 LYS HG2 H 1.36 0.05 1
1248 113 113 LYS HG3 H 1.36 0.05 1
1249 113 113 LYS C C 179.98 0.1 1
1250 113 113 LYS CA C 60.11 0.1 1
1251 113 113 LYS CB C 32.68 0.1 1
1252 113 113 LYS CD C 29.51 0.1 1
1253 113 113 LYS CG C 25.31 0.1 1
1254 113 113 LYS N N 120.85 0.1 1
1255 114 114 SER H H 8.16 0.05 1
1256 114 114 SER HA H 4.12 0.05 1
1257 114 114 SER HB2 H 3.67 0.05 1
1258 114 114 SER HB3 H 3.67 0.05 1
1259 114 114 SER C C 176.60 0.1 1
1260 114 114 SER CA C 63.21 0.1 1
1261 114 114 SER CB C 66.57 0.1 1
1262 114 114 SER N N 116.50 0.1 1
1263 115 115 ILE H H 8.69 0.05 1
1264 115 115 ILE HA H 3.58 0.05 1
1265 115 115 ILE HB H 2.18 0.05 1
1266 115 115 ILE HG12 H 1.78 0.05 1
1267 115 115 ILE HG13 H 1.78 0.05 1
1268 115 115 ILE C C 177.38 0.1 1
1269 115 115 ILE CA C 66.42 0.1 1
1270 115 115 ILE CB C 38.15 0.1 1
1271 115 115 ILE CD1 C 14.62 0.1 1
1272 115 115 ILE CG1 C 30.25 0.1 1
1273 115 115 ILE CG2 C 18.24 0.1 1
1274 115 115 ILE N N 123.40 0.1 1
1275 116 116 LYS H H 8.48 0.05 1
1276 116 116 LYS HA H 3.88 0.05 1
1277 116 116 LYS HB2 H 1.88 0.05 1
1278 116 116 LYS HB3 H 1.88 0.05 1
1279 116 116 LYS HD2 H 1.49 0.05 1
1280 116 116 LYS HD3 H 1.49 0.05 1
1281 116 116 LYS HE2 H 2.90 0.05 1
1282 116 116 LYS HE3 H 2.90 0.05 1
1283 116 116 LYS HG2 H 1.63 0.05 1
1284 116 116 LYS HG3 H 1.63 0.05 1
1285 116 116 LYS C C 179.05 0.1 1
1286 116 116 LYS CA C 60.54 0.1 1
1287 116 116 LYS CB C 32.33 0.1 1
1288 116 116 LYS CD C 29.42 0.1 1
1289 116 116 LYS CG C 26.39 0.1 1
1290 116 116 LYS N N 119.16 0.1 1
1291 117 117 ALA H H 7.87 0.05 1
1292 117 117 ALA HA H 4.18 0.05 1
1293 117 117 ALA HB H 1.48 0.05 1
1294 117 117 ALA C C 179.31 0.1 1
1295 117 117 ALA CA C 54.96 0.1 1
1296 117 117 ALA CB C 18.08 0.1 1
1297 117 117 ALA N N 120.21 0.1 1
1298 118 118 SER H H 7.56 0.05 1
1299 118 118 SER HA H 4.20 0.05 1
1300 118 118 SER HB2 H 3.87 0.05 1
1301 118 118 SER HB3 H 3.87 0.05 1
1302 118 118 SER C C 176.61 0.1 1
1303 118 118 SER CA C 61.40 0.1 1
1304 118 118 SER CB C 64.43 0.1 1
1305 118 118 SER N N 112.80 0.1 1
1306 119 119 ILE H H 8.04 0.05 1
1307 119 119 ILE HA H 3.98 0.05 1
1308 119 119 ILE HB H 1.95 0.05 1
1309 119 119 ILE HD1 H 0.79 0.05 1
1310 119 119 ILE HG12 H 1.03 0.05 2
1311 119 119 ILE HG13 H 1.73 0.05 2
1312 119 119 ILE HG2 H 1.03 0.05 1
1313 119 119 ILE C C 177.72 0.1 1
1314 119 119 ILE CA C 64.28 0.1 1
1315 119 119 ILE CB C 39.02 0.1 1
1316 119 119 ILE CD1 C 16.08 0.1 1
1317 119 119 ILE CG2 C 17.58 0.1 1
1318 119 119 ILE N N 118.30 0.1 1
1319 120 120 SER H H 7.82 0.05 1
1320 120 120 SER HA H 4.43 0.05 1
1321 120 120 SER HB2 H 3.96 0.05 1
1322 120 120 SER HB3 H 3.96 0.05 1
1323 120 120 SER C C 174.04 0.1 1
1324 120 120 SER CA C 58.86 0.1 1
1325 120 120 SER CB C 63.92 0.1 1
1326 120 120 SER N N 114.20 0.1 1
1327 121 121 ARG H H 7.84 0.05 1
1328 121 121 ARG HA H 4.28 0.05 1
1329 121 121 ARG HB2 H 1.92 0.05 1
1330 121 121 ARG HB3 H 1.92 0.05 1
1331 121 121 ARG HD2 H 3.24 0.05 1
1332 121 121 ARG HD3 H 3.24 0.05 1
1333 121 121 ARG HG2 H 1.71 0.05 1
1334 121 121 ARG HG3 H 1.71 0.05 1
1335 121 121 ARG C C 175.98 0.1 1
1336 121 121 ARG CA C 56.62 0.1 1
1337 121 121 ARG CB C 30.40 0.1 1
1338 121 121 ARG CD C 43.69 0.1 1
1339 121 121 ARG CG C 26.94 0.1 1
1340 121 121 ARG N N 122.67 0.1 1
1341 122 122 ASP H H 8.34 0.05 1
1342 122 122 ASP HA H 4.86 0.05 1
1343 122 122 ASP HB2 H 2.50 0.05 2
1344 122 122 ASP HB3 H 2.66 0.05 2
1345 122 122 ASP CA C 52.92 0.1 1
1346 122 122 ASP CB C 41.03 0.1 1
1347 122 122 ASP N N 123.03 0.1 1
1348 123 123 PRO HA H 4.43 0.05 1
1349 123 123 PRO HB2 H 2.16 0.05 1
1350 123 123 PRO HB3 H 2.16 0.05 1
1351 123 123 PRO HD2 H 3.76 0.05 1
1352 123 123 PRO HD3 H 3.76 0.05 1
1353 123 123 PRO HG2 H 1.87 0.05 1
1354 123 123 PRO HG3 H 1.87 0.05 1
1355 123 123 PRO C C 175.85 0.1 1
1356 123 123 PRO CA C 63.54 0.1 1
1357 123 123 PRO CB C 31.80 0.1 1
1358 123 123 PRO CD C 50.54 0.1 1
1359 123 123 PRO CG C 26.93 0.1 1
1360 124 124 PHE H H 7.64 0.05 1
1361 124 124 PHE HA H 4.88 0.05 1
1362 124 124 PHE HB2 H 3.07 0.05 2
1363 124 124 PHE HB3 H 3.17 0.05 2
1364 124 124 PHE HD1 H 7.39 0.05 1
1365 124 124 PHE HD2 H 7.39 0.05 1
1366 124 124 PHE HE1 H 7.30 0.05 1
1367 124 124 PHE HE2 H 7.30 0.05 1
1368 124 124 PHE HZ H 6.78 0.05 1
1369 124 124 PHE CA C 59.20 0.1 1
1370 124 124 PHE CB C 40.16 0.1 1
1371 124 124 PHE N N 124.61 0.1 1
stop_
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