data_4198
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Three-dimensional Structure of an Evolutionarily Conserved N-terminal Domain of
Syntaxin 1A
;
_BMRB_accession_number 4198
_BMRB_flat_file_name bmr4198.str
_Entry_type original
_Submission_date 1998-09-09
_Accession_date 1998-09-09
_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 Fernandez Imma . .
2 Ubach Josep . .
3 Dulubova Irina . .
4 Zhang Xiangyang . .
5 Sudhof Thomas C. .
6 Rizo Josep . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 748
"13C chemical shifts" 518
"15N chemical shifts" 128
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
1999-12-01 original author .
stop_
_Original_release_date 1999-12-01
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Three-dimensional Structure of an Evolutionarily Conserved N-terminal Domain of
Syntaxin 1A
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code 98424252
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Fernandez Imma . .
2 Ubach Josep . .
3 Dulubova Irina . .
4 Zhang Xiangyang . .
5 Sudhof Thomas C. .
6 Rizo Josep . .
stop_
_Journal_abbreviation Cell
_Journal_volume 94
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 841
_Page_last 849
_Year 1998
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_Nsyx
_Saveframe_category molecular_system
_Mol_system_name 'N-terminal domain of syntaxin 1A'
_Abbreviation_common Nsyx
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Nsyx $Nsyx
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Nsyx
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'N-terminal domain of Syntaxin 1A'
_Abbreviation_common Nsyx
_Molecular_mass .
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 161
_Mol_residue_sequence
;
GSPGISGGGGGIPASMKDRT
QELRTAKDSDDDDDVTVTVD
RDRFMDEFFEQVEEIRGFID
KIAENVEEVKRKHSAILASP
NPDEKTKEELEELMSDIKKT
ANKVRSKLKSIEQSIEQEEG
LNRSSADLRIRKTQHSTLSR
KFVEVMSEYNATQSDYRERS
K
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 PRO 4 GLY 5 ILE
6 SER 7 GLY 8 GLY 9 GLY 10 GLY
11 GLY 12 ILE 13 PRO 14 ALA 15 SER
16 MET 17 LYS 18 ASP 19 ARG 20 THR
21 GLN 22 GLU 23 LEU 24 ARG 25 THR
26 ALA 27 LYS 28 ASP 29 SER 30 ASP
31 ASP 32 ASP 33 ASP 34 ASP 35 VAL
36 THR 37 VAL 38 THR 39 VAL 40 ASP
41 ARG 42 ASP 43 ARG 44 PHE 45 MET
46 ASP 47 GLU 48 PHE 49 PHE 50 GLU
51 GLN 52 VAL 53 GLU 54 GLU 55 ILE
56 ARG 57 GLY 58 PHE 59 ILE 60 ASP
61 LYS 62 ILE 63 ALA 64 GLU 65 ASN
66 VAL 67 GLU 68 GLU 69 VAL 70 LYS
71 ARG 72 LYS 73 HIS 74 SER 75 ALA
76 ILE 77 LEU 78 ALA 79 SER 80 PRO
81 ASN 82 PRO 83 ASP 84 GLU 85 LYS
86 THR 87 LYS 88 GLU 89 GLU 90 LEU
91 GLU 92 GLU 93 LEU 94 MET 95 SER
96 ASP 97 ILE 98 LYS 99 LYS 100 THR
101 ALA 102 ASN 103 LYS 104 VAL 105 ARG
106 SER 107 LYS 108 LEU 109 LYS 110 SER
111 ILE 112 GLU 113 GLN 114 SER 115 ILE
116 GLU 117 GLN 118 GLU 119 GLU 120 GLY
121 LEU 122 ASN 123 ARG 124 SER 125 SER
126 ALA 127 ASP 128 LEU 129 ARG 130 ILE
131 ARG 132 LYS 133 THR 134 GLN 135 HIS
136 SER 137 THR 138 LEU 139 SER 140 ARG
141 LYS 142 PHE 143 VAL 144 GLU 145 VAL
146 MET 147 SER 148 GLU 149 TYR 150 ASN
151 ALA 152 THR 153 GLN 154 SER 155 ASP
156 TYR 157 ARG 158 GLU 159 ARG 160 SER
161 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-14
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
BMRB 15646 sx23 75.16 207 99.17 99.17 2.69e-77
PDB 1BR0 "Three Dimensional Structure Of The N-Terminal Domain Of Syntaxin 1a" 74.53 120 100.00 100.00 3.55e-78
PDB 1EZ3 "Crystal Structure Of The Neuronal T-Snare Syntaxin-1a" 76.40 127 99.19 99.19 1.00e-79
PDB 3C98 "Revised Structure Of The Munc18a-Syntaxin1 Complex" 91.93 279 98.65 98.65 2.64e-96
PDB 4JEH "Crystal Structure Of Munc18a And Syntaxin1 Lacking N-peptide Complex" 76.40 243 98.37 99.19 5.18e-78
PDB 4JEU "Crystal Structure Of Munc18a And Syntaxin1 With Native N-terminus Complex" 90.06 242 99.31 99.31 5.44e-95
DBJ BAA01231 "HPC-1 antigen [Rattus norvegicus]" 92.55 298 99.33 99.33 6.08e-98
DBJ BAA02089 "synaptotagmin associated 35kDa protein [Rattus norvegicus]" 88.82 285 99.30 99.30 3.54e-93
DBJ BAA07151 "HPC-1 [Homo sapiens]" 90.68 288 98.63 98.63 7.85e-95
DBJ BAA28865 "HPC-1/syntaxin [Mus musculus]" 90.68 288 99.32 99.32 1.67e-95
DBJ BAC78519 "syntaxin 1C [Homo sapiens]" 90.68 260 98.63 98.63 1.87e-94
EMBL CAG33299 "STX1A [Homo sapiens]" 90.68 288 98.63 98.63 7.85e-95
EMBL CAH93304 "hypothetical protein [Pongo abelii]" 90.68 288 98.63 98.63 9.75e-95
GB AAA20940 "syntaxin [Homo sapiens]" 72.67 259 97.44 97.44 2.44e-71
GB AAA42195 "syntaxin A, partial [Rattus norvegicus]" 88.82 285 99.30 99.30 3.54e-93
GB AAA53519 "syntaxin 1A [Homo sapiens]" 90.68 288 98.63 98.63 7.85e-95
GB AAB22525 "syntaxin, P35A [rats, brain, Peptide Partial, 285 aa]" 88.82 285 99.30 99.30 3.54e-93
GB AAB65500 "syntaxin 1C [Homo sapiens]" 90.68 260 98.63 98.63 1.97e-94
PIR G01485 "syntaxin - human" 72.67 259 97.44 97.44 2.44e-71
PRF 2116295A "syntaxin 1A" 90.68 288 98.63 98.63 7.85e-95
REF NP_001028037 "syntaxin-1B [Macaca mulatta]" 90.68 288 97.95 97.95 6.69e-94
REF NP_001126944 "syntaxin-1A [Pongo abelii]" 90.68 288 98.63 98.63 9.75e-95
REF NP_001159375 "syntaxin-1A isoform 2 [Homo sapiens]" 90.68 251 98.63 98.63 6.78e-95
REF NP_004594 "syntaxin-1A isoform 1 [Homo sapiens]" 90.68 288 98.63 98.63 7.85e-95
REF NP_058081 "syntaxin-1A [Mus musculus]" 90.68 288 99.32 99.32 1.67e-95
SP O35526 "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1" 90.68 288 99.32 99.32 1.67e-95
SP P32850 "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1; AltName: Full=Synaptotagmin-associated 35 kDa protein; " 90.68 288 98.63 99.32 7.93e-95
SP P32851 "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1; AltName: Full=Synaptotagmin-associated 35 kDa protein; " 90.68 288 99.32 99.32 1.81e-95
SP Q16623 "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1" 90.68 288 98.63 98.63 7.85e-95
SP Q5R4L2 "RecName: Full=Syntaxin-1A" 90.68 288 98.63 98.63 9.75e-95
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Nsyx Rat 10116 Eukaryota Metazoa Rattus norvergicus
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
$Nsyx 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Nsyx 1.0 mM '[U-13C; U-15N]'
stop_
save_
save_sample2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Nsyx 1.0 mM [U-15N]
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model UNITY
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1N-15N_TOCSY-HMQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1N-15N TOCSY-HMQC'
_Sample_label .
save_
save_1H-15N_NOESY-HMQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N NOESY-HMQC'
_Sample_label .
save_
save_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
save_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_(H)CBCACO(CA)HA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name (H)CBCACO(CA)HA
_Sample_label .
save_
save_(H)C(CO)NH-TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name (H)C(CO)NH-TOCSY
_Sample_label .
save_
save_H(C)(CO)NH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name H(C)(CO)NH-TOCSY
_Sample_label .
save_
save_HCCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_3D_1H-15N_NOESY-HSQC_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY-HSQC'
_Sample_label .
save_
save_4D_1H-13C,1H-13C_HMQC-NOESY-HMQC_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 1H-13C,1H-13C HMQC-NOESY-HMQC'
_Sample_label .
save_
#######################
# Sample conditions #
#######################
save_cond1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.3 0.2 n/a
temperature 305 1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details 'The nitromethane was a 1:1 solution with CDCL3.'
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 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
nitromethane N 15 nitrogen ppm -379.6 external direct . . . .
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_shifts1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample1
$sample2
stop_
_Sample_conditions_label $cond1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name Nsyx
_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 . 42 ASP H H 8.416 0.02 1
2 . 42 ASP HA H 4.57 0.02 1
3 . 42 ASP HB2 H 2.71 0.02 2
4 . 42 ASP HB3 H 2.58 0.02 2
5 . 42 ASP C C 176.322 0.25 1
6 . 42 ASP CA C 54.2 0.25 1
7 . 42 ASP CB C 41.059 0.25 1
8 . 42 ASP N N 123.721 0.1 1
9 . 43 ARG H H 8.244 0.02 1
10 . 43 ARG HA H 4.29 0.02 1
11 . 43 ARG HB2 H 1.8 0.02 2
12 . 43 ARG HB3 H 1.73 0.02 2
13 . 43 ARG HG2 H 1.51 0.02 1
14 . 43 ARG HG3 H 1.51 0.02 1
15 . 43 ARG HD2 H 3.12 0.02 1
16 . 43 ARG HD3 H 3.12 0.02 1
17 . 43 ARG C C 176.873 0.25 1
18 . 43 ARG CA C 56.737 0.25 1
19 . 43 ARG CB C 30.007 0.25 1
20 . 43 ARG CG C 26.755 0.25 1
21 . 43 ARG CD C 43.076 0.25 1
22 . 43 ARG N N 121.755 0.1 1
23 . 44 PHE H H 8.117 0.02 1
24 . 44 PHE HA H 4.42 0.02 1
25 . 44 PHE HB2 H 3.13 0.02 1
26 . 44 PHE HB3 H 3.13 0.02 1
27 . 44 PHE HD1 H 7.25 0.02 1
28 . 44 PHE HD2 H 7.25 0.02 1
29 . 44 PHE HE1 H 7.16 0.02 1
30 . 44 PHE HE2 H 7.16 0.02 1
31 . 44 PHE C C 177.659 0.25 1
32 . 44 PHE CA C 59.9 0.25 1
33 . 44 PHE CB C 38.78 0.25 1
34 . 44 PHE N N 120.14 0.1 1
35 . 45 MET H H 8.324 0.02 1
36 . 45 MET HA H 4.47 0.02 1
37 . 45 MET HB2 H 2.08 0.02 1
38 . 45 MET HB3 H 2.08 0.02 1
39 . 45 MET HG2 H 2.63 0.02 2
40 . 45 MET HG3 H 2.48 0.02 2
41 . 45 MET HE H 1.9 0.02 1
42 . 45 MET C C 177.307 0.25 1
43 . 45 MET CA C 55.83 0.25 1
44 . 45 MET CB C 31.03 0.25 1
45 . 45 MET CG C 32.67 0.25 1
46 . 45 MET CE C 16.9 0.25 1
47 . 45 MET N N 119.406 0.1 1
48 . 46 ASP H H 8.144 0.02 1
49 . 46 ASP HA H 4.55 0.02 1
50 . 46 ASP HB2 H 2.75 0.02 1
51 . 46 ASP HB3 H 2.75 0.02 1
52 . 46 ASP C C 178.731 0.25 1
53 . 46 ASP CA C 56.9 0.25 1
54 . 46 ASP CB C 40.454 0.25 1
55 . 46 ASP N N 121.119 0.1 1
56 . 47 GLU H H 8.315 0.02 1
57 . 47 GLU HA H 4.1 0.02 1
58 . 47 GLU HB2 H 2.05 0.02 1
59 . 47 GLU HB3 H 2.05 0.02 1
60 . 47 GLU HG2 H 2.38 0.02 2
61 . 47 GLU HG3 H 2.22 0.02 2
62 . 47 GLU C C 178.515 0.25 1
63 . 47 GLU CA C 58.876 0.25 1
64 . 47 GLU CB C 29.248 0.25 1
65 . 47 GLU CG C 36.543 0.25 1
66 . 47 GLU N N 120.287 0.1 1
67 . 48 PHE H H 8.042 0.02 1
68 . 48 PHE HA H 4.15 0.02 1
69 . 48 PHE HB2 H 3 0.02 1
70 . 48 PHE HB3 H 3 0.02 1
71 . 48 PHE HD1 H 6.84 0.02 1
72 . 48 PHE HD2 H 6.84 0.02 1
73 . 48 PHE HE1 H 6.99 0.02 1
74 . 48 PHE HE2 H 6.99 0.02 1
75 . 48 PHE HZ H 7.17 0.02 1
76 . 48 PHE C C 177.09 0.25 1
77 . 48 PHE CA C 61.305 0.25 1
78 . 48 PHE CB C 38.64 0.25 1
79 . 48 PHE CD1 C 132.03 0.25 1
80 . 48 PHE CD2 C 132.03 0.25 1
81 . 48 PHE CE1 C 130.23 0.25 1
82 . 48 PHE CE2 C 130.23 0.25 1
83 . 48 PHE N N 121.608 0.1 1
84 . 49 PHE H H 8.53 0.02 1
85 . 49 PHE HA H 4.06 0.02 1
86 . 49 PHE HB2 H 3.22 0.02 2
87 . 49 PHE HB3 H 3.1 0.02 2
88 . 49 PHE HD1 H 7.46 0.02 1
89 . 49 PHE HD2 H 7.46 0.02 1
90 . 49 PHE HE1 H 7.31 0.02 1
91 . 49 PHE HE2 H 7.31 0.02 1
92 . 49 PHE HZ H 7.4 0.02 1
93 . 49 PHE C C 178.691 0.25 1
94 . 49 PHE CA C 61.949 0.25 1
95 . 49 PHE CB C 37.881 0.25 1
96 . 49 PHE CD1 C 131.47 0.25 1
97 . 49 PHE CD2 C 131.47 0.25 1
98 . 49 PHE CE1 C 131.24 0.25 1
99 . 49 PHE CE2 C 131.24 0.25 1
100 . 49 PHE CZ C 130.96 0.25 1
101 . 49 PHE N N 117.64 0.1 1
102 . 50 GLU H H 7.989 0.02 1
103 . 50 GLU HA H 4.05 0.02 1
104 . 50 GLU HB2 H 2.22 0.02 2
105 . 50 GLU HB3 H 2.06 0.02 2
106 . 50 GLU HG2 H 2.41 0.02 2
107 . 50 GLU HG3 H 2.22 0.02 2
108 . 50 GLU C C 179.354 0.25 1
109 . 50 GLU CA C 59.493 0.25 1
110 . 50 GLU CB C 29.085 0.25 1
111 . 50 GLU CG C 36.111 0.25 1
112 . 50 GLU N N 120.867 0.1 1
113 . 51 GLN H H 7.78 0.02 1
114 . 51 GLN HA H 4.06 0.02 1
115 . 51 GLN HB2 H 2.21 0.02 2
116 . 51 GLN HB3 H 2.06 0.02 2
117 . 51 GLN HG2 H 2.49 0.02 2
118 . 51 GLN HG3 H 2.33 0.02 2
119 . 51 GLN HE21 H 7.26 0.02 1
120 . 51 GLN HE22 H 6.73 0.02 1
121 . 51 GLN C C 178.91 0.25 1
122 . 51 GLN CA C 59.237 0.25 1
123 . 51 GLN CB C 28.52 0.25 1
124 . 51 GLN CG C 34.31 0.25 1
125 . 51 GLN N N 120.287 0.1 1
126 . 51 GLN NE2 N 114.18 0.1 1
127 . 52 VAL H H 8.102 0.02 1
128 . 52 VAL HA H 3.23 0.02 1
129 . 52 VAL HB H 2.06 0.02 1
130 . 52 VAL HG1 H 0.81 0.02 2
131 . 52 VAL HG2 H 0.3 0.02 2
132 . 52 VAL C C 177.3 0.25 1
133 . 52 VAL CA C 66.5 0.25 1
134 . 52 VAL CB C 31.33 0.25 1
135 . 52 VAL CG1 C 20.98 0.25 1
136 . 52 VAL CG2 C 23.04 0.25 1
137 . 52 VAL N N 119.406 0.1 1
138 . 53 GLU H H 7.85 0.02 1
139 . 53 GLU HA H 3.96 0.02 1
140 . 53 GLU HB2 H 2 0.02 1
141 . 53 GLU HB3 H 2 0.02 1
142 . 53 GLU HG2 H 2.23 0.02 1
143 . 53 GLU HG3 H 2.23 0.02 1
144 . 53 GLU C C 179.456 0.25 1
145 . 53 GLU CA C 58.723 0.25 1
146 . 53 GLU CB C 29.159 0.25 1
147 . 53 GLU CG C 35.789 0.25 1
148 . 53 GLU N N 118.82 0.1 1
149 . 54 GLU H H 7.758 0.02 1
150 . 54 GLU HA H 3.72 0.02 1
151 . 54 GLU HB2 H 1.98 0.02 1
152 . 54 GLU HB3 H 1.98 0.02 1
153 . 54 GLU HG2 H 2.01 0.02 2
154 . 54 GLU HG3 H 1.69 0.02 2
155 . 54 GLU C C 178.832 0.25 1
156 . 54 GLU CA C 58.92 0.25 1
157 . 54 GLU CB C 29.516 0.25 1
158 . 54 GLU CG C 36.582 0.25 1
159 . 54 GLU N N 121.023 0.1 1
160 . 55 ILE H H 8.126 0.02 1
161 . 55 ILE HA H 3.48 0.02 1
162 . 55 ILE HB H 1.86 0.02 1
163 . 55 ILE HG12 H 1.97 0.02 2
164 . 55 ILE HG13 H 0.69 0.02 2
165 . 55 ILE HG2 H 0.89 0.02 1
166 . 55 ILE HD1 H 0.7 0.02 1
167 . 55 ILE C C 177.44 0.25 1
168 . 55 ILE CA C 65.961 0.25 1
169 . 55 ILE CB C 37.56 0.25 1
170 . 55 ILE CG1 C 29.8 0.25 1
171 . 55 ILE CG2 C 19.49 0.25 1
172 . 55 ILE CD1 C 14.7 0.25 1
173 . 55 ILE N N 118.965 0.1 1
174 . 56 ARG H H 8.801 0.02 1
175 . 56 ARG HA H 3.67 0.02 1
176 . 56 ARG HB2 H 1.84 0.02 1
177 . 56 ARG HB3 H 1.84 0.02 1
178 . 56 ARG HG2 H 1.65 0.02 2
179 . 56 ARG HG3 H 1.56 0.02 2
180 . 56 ARG HD2 H 3.16 0.02 1
181 . 56 ARG HD3 H 3.16 0.02 1
182 . 56 ARG C C 178.536 0.25 1
183 . 56 ARG CA C 60.143 0.25 1
184 . 56 ARG CB C 29.579 0.25 1
185 . 56 ARG CG C 27.307 0.25 1
186 . 56 ARG CD C 42.994 0.25 1
187 . 56 ARG N N 120.727 0.1 1
188 . 57 GLY H H 7.897 0.02 1
189 . 57 GLY HA2 H 3.93 0.02 2
190 . 57 GLY HA3 H 3.84 0.02 2
191 . 57 GLY C C 177.181 0.25 1
192 . 57 GLY CA C 47.03 0.25 1
193 . 57 GLY N N 104.7 0.1 1
194 . 58 PHE H H 7.856 0.02 1
195 . 58 PHE HA H 4.6 0.02 1
196 . 58 PHE HB2 H 3.24 0.02 2
197 . 58 PHE HB3 H 2.88 0.02 2
198 . 58 PHE HD1 H 7.08 0.02 1
199 . 58 PHE HD2 H 7.08 0.02 1
200 . 58 PHE HE1 H 7.27 0.02 1
201 . 58 PHE HE2 H 7.27 0.02 1
202 . 58 PHE HZ H 7.32 0.02 1
203 . 58 PHE C C 178.199 0.25 1
204 . 58 PHE CA C 58.439 0.25 1
205 . 58 PHE CB C 38.643 0.25 1
206 . 58 PHE CD1 C 132.4 0.25 1
207 . 58 PHE CD2 C 132.4 0.25 1
208 . 58 PHE N N 121.755 0.1 1
209 . 59 ILE H H 8.566 0.02 1
210 . 59 ILE HA H 3.62 0.02 1
211 . 59 ILE HB H 2.02 0.02 1
212 . 59 ILE HG12 H 2.03 0.02 2
213 . 59 ILE HG13 H 0.91 0.02 2
214 . 59 ILE HG2 H 1 0.02 1
215 . 59 ILE HD1 H 0.91 0.02 1
216 . 59 ILE C C 177.356 0.25 1
217 . 59 ILE CA C 66.77 0.25 1
218 . 59 ILE CB C 37.69 0.25 1
219 . 59 ILE CG1 C 30.9 0.25 1
220 . 59 ILE CG2 C 18.03 0.25 1
221 . 59 ILE CD1 C 15.33 0.25 1
222 . 59 ILE N N 120.434 0.1 1
223 . 60 ASP H H 8.374 0.02 1
224 . 60 ASP HA H 4.48 0.02 1
225 . 60 ASP HB2 H 2.76 0.02 2
226 . 60 ASP HB3 H 2.66 0.02 2
227 . 60 ASP C C 179.053 0.25 1
228 . 60 ASP CA C 57.35 0.25 1
229 . 60 ASP CB C 39.718 0.25 1
230 . 60 ASP N N 120.14 0.1 1
231 . 61 LYS H H 7.932 0.02 1
232 . 61 LYS HA H 4.19 0.02 1
233 . 61 LYS HB2 H 2.16 0.02 2
234 . 61 LYS HB3 H 2.07 0.02 2
235 . 61 LYS HG2 H 1.53 0.02 1
236 . 61 LYS HG3 H 1.53 0.02 1
237 . 61 LYS HD2 H 1.73 0.02 1
238 . 61 LYS HD3 H 1.73 0.02 1
239 . 61 LYS HE2 H 2.99 0.02 1
240 . 61 LYS HE3 H 2.99 0.02 1
241 . 61 LYS C C 178.973 0.25 1
242 . 61 LYS CA C 58.6 0.25 1
243 . 61 LYS CB C 31.774 0.25 1
244 . 61 LYS CG C 24.3 0.25 1
245 . 61 LYS CD C 28.7 0.25 1
246 . 61 LYS N N 121.955 0.1 1
247 . 62 ILE H H 8.379 0.02 1
248 . 62 ILE HA H 3.52 0.02 1
249 . 62 ILE HB H 2.16 0.02 1
250 . 62 ILE HG12 H 2.19 0.02 2
251 . 62 ILE HG13 H 0.86 0.02 2
252 . 62 ILE HG2 H 0.87 0.02 1
253 . 62 ILE HD1 H 0.93 0.02 1
254 . 62 ILE C C 177.695 0.25 1
255 . 62 ILE CA C 66.58 0.25 1
256 . 62 ILE CB C 37.74 0.25 1
257 . 62 ILE CG1 C 29.1 0.25 1
258 . 62 ILE CG2 C 18.86 0.25 1
259 . 62 ILE CD1 C 14 0.25 1
260 . 62 ILE N N 119.993 0.1 1
261 . 63 ALA H H 8.613 0.02 1
262 . 63 ALA HA H 3.92 0.02 1
263 . 63 ALA HB H 1.6 0.02 1
264 . 63 ALA C C 180.65 0.25 1
265 . 63 ALA CA C 55.806 0.25 1
266 . 63 ALA CB C 17.951 0.25 1
267 . 63 ALA N N 121.092 0.1 1
268 . 64 GLU H H 8.151 0.02 1
269 . 64 GLU HA H 4.09 0.02 1
270 . 64 GLU HB2 H 2.14 0.02 1
271 . 64 GLU HB3 H 2.14 0.02 1
272 . 64 GLU HG2 H 2.43 0.02 2
273 . 64 GLU HG3 H 2.24 0.02 2
274 . 64 GLU C C 179.5 0.25 1
275 . 64 GLU CA C 59.085 0.25 1
276 . 64 GLU CB C 29.494 0.25 1
277 . 64 GLU CG C 35.925 0.25 1
278 . 64 GLU N N 119.259 0.1 1
279 . 65 ASN H H 8.493 0.02 1
280 . 65 ASN HA H 4.59 0.02 1
281 . 65 ASN HB2 H 2.96 0.02 2
282 . 65 ASN HB3 H 2.44 0.02 2
283 . 65 ASN HD21 H 7.15 0.02 2
284 . 65 ASN HD22 H 6.69 0.02 2
285 . 65 ASN C C 177.739 0.25 1
286 . 65 ASN CA C 55.42 0.25 1
287 . 65 ASN CB C 38.253 0.25 1
288 . 65 ASN N N 120.14 0.1 1
289 . 65 ASN ND2 N 111.59 0.1 1
290 . 66 VAL H H 9.244 0.02 1
291 . 66 VAL HA H 3.46 0.02 1
292 . 66 VAL HB H 2.35 0.02 1
293 . 66 VAL HG1 H 1.05 0.02 2
294 . 66 VAL HG2 H 0.97 0.02 2
295 . 66 VAL C C 177.607 0.25 1
296 . 66 VAL CA C 67.309 0.25 1
297 . 66 VAL CB C 31.142 0.25 1
298 . 66 VAL CG1 C 24.574 0.25 1
299 . 66 VAL CG2 C 21.65 0.25 1
300 . 66 VAL N N 123.193 0.1 1
301 . 67 GLU H H 7.629 0.02 1
302 . 67 GLU HA H 4.05 0.02 1
303 . 67 GLU HB2 H 2.22 0.02 1
304 . 67 GLU HB3 H 2.22 0.02 1
305 . 67 GLU HG2 H 2.41 0.02 1
306 . 67 GLU HG3 H 2.41 0.02 1
307 . 67 GLU C C 179.354 0.25 1
308 . 67 GLU CA C 59.1 0.25 1
309 . 67 GLU CB C 29.085 0.25 1
310 . 67 GLU CG C 36.111 0.25 1
311 . 67 GLU N N 118.672 0.1 1
312 . 68 GLU H H 7.739 0.02 1
313 . 68 GLU HA H 4.18 0.02 1
314 . 68 GLU HB2 H 2.28 0.02 2
315 . 68 GLU HB3 H 2.19 0.02 2
316 . 68 GLU HG2 H 2.37 0.02 2
317 . 68 GLU HG3 H 2.24 0.02 2
318 . 68 GLU C C 178.714 0.25 1
319 . 68 GLU CA C 58.819 0.25 1
320 . 68 GLU CB C 29.177 0.25 1
321 . 68 GLU CG C 35.962 0.25 1
322 . 68 GLU N N 120.287 0.1 1
323 . 69 VAL H H 8.714 0.02 1
324 . 69 VAL HA H 3.25 0.02 1
325 . 69 VAL HB H 2.41 0.02 1
326 . 69 VAL HG1 H 1.02 0.02 2
327 . 69 VAL HG2 H 0.6 0.02 2
328 . 69 VAL C C 177.29 0.25 1
329 . 69 VAL CA C 66.95 0.25 1
330 . 69 VAL CB C 30.86 0.25 1
331 . 69 VAL CG1 C 25.084 0.25 1
332 . 69 VAL CG2 C 21.11 0.25 1
333 . 69 VAL N N 122.334 0.1 1
334 . 70 LYS H H 8.07 0.02 1
335 . 70 LYS HA H 3.93 0.02 1
336 . 70 LYS HB2 H 2.03 0.02 2
337 . 70 LYS HB3 H 1.97 0.02 2
338 . 70 LYS HG2 H 1.71 0.02 1
339 . 70 LYS HG3 H 1.71 0.02 1
340 . 70 LYS HD2 H 1.72 0.02 1
341 . 70 LYS HD3 H 1.72 0.02 1
342 . 70 LYS HE2 H 2.92 0.02 2
343 . 70 LYS HE3 H 2.81 0.02 2
344 . 70 LYS C C 180.058 0.25 1
345 . 70 LYS CA C 60.344 0.25 1
346 . 70 LYS CB C 32.498 0.25 1
347 . 70 LYS CG C 26.03 0.25 1
348 . 70 LYS CD C 30.2 0.25 1
349 . 70 LYS CE C 41.9 0.25 1
350 . 70 LYS N N 118.231 0.1 1
351 . 71 ARG H H 7.723 0.02 1
352 . 71 ARG HA H 4.08 0.02 1
353 . 71 ARG HB2 H 2.05 0.02 1
354 . 71 ARG HB3 H 2.05 0.02 1
355 . 71 ARG HG2 H 1.86 0.02 2
356 . 71 ARG HG3 H 1.6 0.02 2
357 . 71 ARG HD2 H 3.2 0.02 1
358 . 71 ARG HD3 H 3.2 0.02 1
359 . 71 ARG C C 179.948 0.25 1
360 . 71 ARG CA C 59.66 0.25 1
361 . 71 ARG CB C 30.47 0.25 1
362 . 71 ARG CG C 28.23 0.25 1
363 . 71 ARG CD C 43.52 0.25 1
364 . 71 ARG N N 119.406 0.1 1
365 . 72 LYS H H 8.603 0.02 1
366 . 72 LYS HA H 4.1 0.02 1
367 . 72 LYS HB2 H 2 0.02 2
368 . 72 LYS HB3 H 1.88 0.02 2
369 . 72 LYS HG2 H 1.59 0.02 2
370 . 72 LYS HG3 H 1.53 0.02 2
371 . 72 LYS HE2 H 2.92 0.02 1
372 . 72 LYS HE3 H 2.92 0.02 1
373 . 72 LYS C C 178.626 0.25 1
374 . 72 LYS CA C 58.903 0.25 1
375 . 72 LYS CB C 32.465 0.25 1
376 . 72 LYS CG C 26 0.25 1
377 . 72 LYS N N 121.227 0.1 1
378 . 73 HIS H H 9.054 0.02 1
379 . 73 HIS HA H 4.2 0.02 1
380 . 73 HIS HB2 H 3.27 0.02 2
381 . 73 HIS HB3 H 3.04 0.02 2
382 . 73 HIS HD1 H 6.35 0.02 1
383 . 73 HIS HE1 H 7.63 0.02 1
384 . 73 HIS C C 177.48 0.25 1
385 . 73 HIS CA C 58.4 0.25 1
386 . 73 HIS CB C 30.2 0.25 1
387 . 73 HIS CE1 C 137.11 0.25 1
388 . 73 HIS N N 118.378 0.1 1
389 . 74 SER H H 7.97 0.02 1
390 . 74 SER HA H 4.05 0.02 1
391 . 74 SER HB2 H 3.95 0.02 1
392 . 74 SER HB3 H 3.95 0.02 1
393 . 74 SER C C 176.537 0.25 1
394 . 74 SER CA C 61.859 0.25 1
395 . 74 SER CB C 62.5 0.25 1
396 . 74 SER N N 112.65 0.1 1
397 . 75 ALA H H 7.782 0.02 1
398 . 75 ALA HA H 4.19 0.02 1
399 . 75 ALA HB H 1.55 0.02 1
400 . 75 ALA C C 180.689 0.25 1
401 . 75 ALA CA C 54.785 0.25 1
402 . 75 ALA CB C 18.305 0.25 1
403 . 75 ALA N N 123.758 0.1 1
404 . 76 ILE H H 8.286 0.02 1
405 . 76 ILE HA H 3.79 0.02 1
406 . 76 ILE HB H 2.03 0.02 1
407 . 76 ILE HG12 H 1.87 0.02 2
408 . 76 ILE HG13 H 1.08 0.02 2
409 . 76 ILE HG2 H 1.02 0.02 1
410 . 76 ILE HD1 H 0.81 0.02 1
411 . 76 ILE C C 178.413 0.25 1
412 . 76 ILE CA C 64.83 0.25 1
413 . 76 ILE CB C 38.37 0.25 1
414 . 76 ILE CG1 C 29.6 0.25 1
415 . 76 ILE CG2 C 17.66 0.25 1
416 . 76 ILE CD1 C 14.42 0.25 1
417 . 76 ILE N N 119.846 0.1 1
418 . 77 LEU H H 8.005 0.02 1
419 . 77 LEU HA H 4.136 0.02 1
420 . 77 LEU HB2 H 1.77 0.02 2
421 . 77 LEU HB3 H 1.46 0.02 2
422 . 77 LEU HG H 1.78 0.02 1
423 . 77 LEU HD1 H 0.79 0.02 1
424 . 77 LEU HD2 H 0.79 0.02 1
425 . 77 LEU C C 178.228 0.25 1
426 . 77 LEU CA C 56.623 0.25 1
427 . 77 LEU CB C 41.657 0.25 1
428 . 77 LEU CD1 C 25.45 0.25 1
429 . 77 LEU CD2 C 22.51 0.25 1
430 . 77 LEU N N 118.525 0.1 1
431 . 78 ALA H H 7.439 0.02 1
432 . 78 ALA HA H 4.3 0.02 1
433 . 78 ALA HB H 1.45 0.02 1
434 . 78 ALA C C 177.44 0.25 1
435 . 78 ALA CA C 52.501 0.25 1
436 . 78 ALA CB C 19.37 0.25 1
437 . 78 ALA N N 118.819 0.1 1
438 . 79 SER H H 7.36 0.02 1
439 . 79 SER HA H 4.87 0.02 1
440 . 79 SER HB2 H 3.97 0.02 2
441 . 79 SER HB3 H 3.81 0.02 2
442 . 79 SER C C 173.3 0.25 1
443 . 79 SER CA C 55.12 0.25 1
444 . 79 SER CB C 64.35 0.25 1
445 . 79 SER N N 113.97 0.1 1
446 . 80 PRO HA H 4.47 0.02 1
447 . 80 PRO HB2 H 2.25 0.02 2
448 . 80 PRO HB3 H 1.94 0.02 2
449 . 80 PRO HG2 H 2.01 0.02 1
450 . 80 PRO HG3 H 2.01 0.02 1
451 . 80 PRO HD2 H 3.87 0.02 2
452 . 80 PRO HD3 H 3.72 0.02 2
453 . 80 PRO C C 176.4 0.25 1
454 . 80 PRO CA C 63.58 0.25 1
455 . 80 PRO CB C 31.89 0.25 1
456 . 80 PRO CG C 27 0.25 1
457 . 80 PRO CD C 50.51 0.25 1
458 . 81 ASN H H 7.87 0.02 1
459 . 81 ASN HA H 5.13 0.02 1
460 . 81 ASN HB2 H 2.72 0.02 2
461 . 81 ASN HB3 H 2.59 0.02 2
462 . 81 ASN HD21 H 7.56 0.02 2
463 . 81 ASN HD22 H 6.86 0.02 2
464 . 81 ASN C C 171.6 0.25 1
465 . 81 ASN CA C 50.74 0.25 1
466 . 81 ASN CB C 39.17 0.25 1
467 . 81 ASN N N 115 0.1 1
468 . 81 ASN ND2 N 116.44 0.1 1
469 . 82 PRO HA H 4.37 0.02 1
470 . 82 PRO HB2 H 2.32 0.02 2
471 . 82 PRO HB3 H 1.86 0.02 2
472 . 82 PRO HG2 H 2.13 0.02 2
473 . 82 PRO HG3 H 2.07 0.02 2
474 . 82 PRO HD2 H 3.67 0.02 1
475 . 82 PRO HD3 H 3.67 0.02 1
476 . 82 PRO C C 176.2 0.25 1
477 . 82 PRO CA C 63.18 0.25 1
478 . 82 PRO CB C 32.21 0.25 1
479 . 82 PRO CG C 27.33 0.25 1
480 . 82 PRO CD C 50.28 0.25 1
481 . 83 ASP H H 8.443 0.02 1
482 . 83 ASP HA H 4.63 0.02 1
483 . 83 ASP HB2 H 2.8 0.02 2
484 . 83 ASP HB3 H 2.76 0.02 2
485 . 83 ASP C C 176.395 0.25 1
486 . 83 ASP CA C 53.38 0.25 1
487 . 83 ASP CB C 41.858 0.25 1
488 . 83 ASP N N 122.638 0.1 1
489 . 84 GLU H H 8.765 0.02 1
490 . 84 GLU HA H 3.96 0.02 1
491 . 84 GLU HB2 H 2.07 0.02 2
492 . 84 GLU HB3 H 1.99 0.02 2
493 . 84 GLU HG2 H 2.36 0.02 1
494 . 84 GLU HG3 H 2.36 0.02 1
495 . 84 GLU C C 178.642 0.25 1
496 . 84 GLU CA C 59.146 0.25 1
497 . 84 GLU CB C 29.382 0.25 1
498 . 84 GLU CG C 36.014 0.25 1
499 . 84 GLU N N 124.132 0.1 1
500 . 85 LYS H H 8.429 0.02 1
501 . 85 LYS HA H 4.13 0.02 1
502 . 85 LYS HB2 H 1.87 0.02 1
503 . 85 LYS HB3 H 1.87 0.02 1
504 . 85 LYS HG2 H 1.45 0.02 2
505 . 85 LYS HG3 H 1.41 0.02 2
506 . 85 LYS HD2 H 1.68 0.02 1
507 . 85 LYS HD3 H 1.68 0.02 1
508 . 85 LYS HE2 H 2.99 0.02 1
509 . 85 LYS HE3 H 2.99 0.02 1
510 . 85 LYS C C 178.53 0.25 1
511 . 85 LYS CA C 58.676 0.25 1
512 . 85 LYS CB C 31.72 0.25 1
513 . 85 LYS CG C 24.44 0.25 1
514 . 85 LYS CD C 28.9 0.25 1
515 . 85 LYS N N 120.287 0.1 1
516 . 86 THR H H 7.84 0.02 1
517 . 86 THR HA H 4 0.02 1
518 . 86 THR HB H 4.05 0.02 1
519 . 86 THR HG2 H 1.28 0.02 1
520 . 86 THR C C 176.626 0.25 1
521 . 86 THR CA C 66.3 0.25 1
522 . 86 THR CB C 67.7 0.25 1
523 . 86 THR CG2 C 22.68 0.25 1
524 . 86 THR N N 116.61 0.1 1
525 . 87 LYS H H 7.564 0.02 1
526 . 87 LYS HA H 3.91 0.02 1
527 . 87 LYS HB2 H 1.96 0.02 1
528 . 87 LYS HB3 H 1.96 0.02 1
529 . 87 LYS HG2 H 1.62 0.02 2
530 . 87 LYS HG3 H 1.42 0.02 2
531 . 87 LYS HD2 H 1.67 0.02 1
532 . 87 LYS HD3 H 1.67 0.02 1
533 . 87 LYS HE2 H 2.92 0.02 1
534 . 87 LYS HE3 H 2.92 0.02 1
535 . 87 LYS C C 178.725 0.25 1
536 . 87 LYS CA C 60.211 0.25 1
537 . 87 LYS CB C 31.9 0.25 1
538 . 87 LYS CG C 25.7 0.25 1
539 . 87 LYS CD C 29.4 0.25 1
540 . 87 LYS N N 120.527 0.1 1
541 . 88 GLU H H 8.146 0.02 1
542 . 88 GLU HA H 4.08 0.02 1
543 . 88 GLU HB2 H 2.24 0.02 2
544 . 88 GLU HB3 H 2.12 0.02 2
545 . 88 GLU HG2 H 2.44 0.02 2
546 . 88 GLU HG3 H 2.28 0.02 2
547 . 88 GLU C C 179.445 0.25 1
548 . 88 GLU CA C 59.086 0.25 1
549 . 88 GLU CB C 29.139 0.25 1
550 . 88 GLU CG C 36.091 0.25 1
551 . 88 GLU N N 120.867 0.1 1
552 . 89 GLU H H 8.35 0.02 1
553 . 89 GLU HA H 4.02 0.02 1
554 . 89 GLU HB2 H 2.53 0.02 1
555 . 89 GLU HB3 H 2.53 0.02 1
556 . 89 GLU HG2 H 2.34 0.02 2
557 . 89 GLU HG3 H 2.22 0.02 2
558 . 89 GLU C C 179.987 0.25 1
559 . 89 GLU CA C 58.7 0.25 1
560 . 89 GLU CB C 29.716 0.25 1
561 . 89 GLU CG C 36.2 0.25 1
562 . 89 GLU N N 119.993 0.1 1
563 . 90 LEU H H 8.148 0.02 1
564 . 90 LEU HA H 4.03 0.02 1
565 . 90 LEU HB2 H 2.08 0.02 2
566 . 90 LEU HB3 H 1.53 0.02 2
567 . 90 LEU HG H 1.64 0.02 1
568 . 90 LEU HD1 H 0.88 0.02 2
569 . 90 LEU HD2 H 0.84 0.02 2
570 . 90 LEU C C 177.8 0.25 1
571 . 90 LEU CA C 58.3 0.25 1
572 . 90 LEU CB C 45.2 0.25 1
573 . 90 LEU CD1 C 24.8 0.25 2
574 . 90 LEU CD2 C 26 0.25 2
575 . 90 LEU N N 120.581 0.1 1
576 . 91 GLU H H 8 0.02 1
577 . 91 GLU HA H 4.02 0.02 1
578 . 91 GLU HB2 H 2.13 0.02 1
579 . 91 GLU HB3 H 2.13 0.02 1
580 . 91 GLU HG2 H 2.43 0.02 2
581 . 91 GLU HG3 H 2.33 0.02 2
582 . 91 GLU C C 179.699 0.25 1
583 . 91 GLU CA C 59.303 0.25 1
584 . 91 GLU CB C 28.9 0.25 1
585 . 91 GLU CG C 35.91 0.25 1
586 . 91 GLU N N 118.97 0.1 1
587 . 92 GLU H H 8.112 0.02 1
588 . 92 GLU HA H 4.1 0.02 1
589 . 92 GLU HB2 H 2.1 0.02 1
590 . 92 GLU HB3 H 2.1 0.02 1
591 . 92 GLU HG2 H 2.38 0.02 2
592 . 92 GLU HG3 H 2.28 0.02 2
593 . 92 GLU C C 179.089 0.25 1
594 . 92 GLU CA C 59.123 0.25 1
595 . 92 GLU CB C 29.122 0.25 1
596 . 92 GLU CG C 35.783 0.25 1
597 . 92 GLU N N 120.867 0.1 1
598 . 93 LEU H H 7.955 0.02 1
599 . 93 LEU HA H 4.084 0.02 1
600 . 93 LEU HB2 H 1.98 0.02 2
601 . 93 LEU HB3 H 1.34 0.02 2
602 . 93 LEU HG H 1.73 0.02 1
603 . 93 LEU HD1 H 0.89 0.02 2
604 . 93 LEU HD2 H 0.85 0.02 2
605 . 93 LEU C C 179.28 0.25 1
606 . 93 LEU CA C 57.813 0.25 1
607 . 93 LEU CB C 42.926 0.25 1
608 . 93 LEU CD1 C 23.8 0.25 2
609 . 93 LEU CD2 C 25.3 0.25 2
610 . 93 LEU N N 121.426 0.1 1
611 . 94 MET H H 8.39 0.02 1
612 . 94 MET HA H 3.99 0.02 1
613 . 94 MET HB2 H 2.28 0.02 2
614 . 94 MET HB3 H 2.18 0.02 2
615 . 94 MET HG2 H 2.8 0.02 1
616 . 94 MET HG3 H 2.8 0.02 1
617 . 94 MET HE H 2.03 0.02 1
618 . 94 MET C C 179.14 0.25 1
619 . 94 MET CA C 59.532 0.25 1
620 . 94 MET CB C 32.63 0.25 1
621 . 94 MET CG C 31.88 0.25 1
622 . 94 MET CE C 16.5 0.25 1
623 . 94 MET N N 116.91 0.1 1
624 . 95 SER H H 8.2 0.02 1
625 . 95 SER HA H 4.21 0.02 1
626 . 95 SER HB2 H 4.03 0.02 1
627 . 95 SER HB3 H 4.03 0.02 1
628 . 95 SER C C 176.608 0.25 1
629 . 95 SER CA C 61.49 0.25 1
630 . 95 SER CB C 62.7 0.25 1
631 . 95 SER N N 116.02 0.1 1
632 . 96 ASP H H 8.23 0.02 1
633 . 96 ASP HA H 4.4 0.02 1
634 . 96 ASP HB2 H 2.79 0.02 2
635 . 96 ASP HB3 H 2.67 0.02 2
636 . 96 ASP C C 179.965 0.25 1
637 . 96 ASP CA C 57.53 0.25 1
638 . 96 ASP CB C 41.225 0.25 1
639 . 96 ASP N N 123.168 0.1 1
640 . 97 ILE H H 8.549 0.02 1
641 . 97 ILE HA H 3.51 0.02 1
642 . 97 ILE HB H 1.7 0.02 1
643 . 97 ILE HG12 H 1.83 0.02 2
644 . 97 ILE HG13 H 0.81 0.02 2
645 . 97 ILE HG2 H 0.22 0.02 1
646 . 97 ILE HD1 H 0.52 0.02 1
647 . 97 ILE C C 176.76 0.25 1
648 . 97 ILE CA C 66.397 0.25 1
649 . 97 ILE CB C 38.23 0.25 1
650 . 97 ILE CG1 C 30.8 0.25 2
651 . 97 ILE CG2 C 16.36 0.25 2
652 . 97 ILE CD1 C 14.7 0.25 1
653 . 97 ILE N N 122.531 0.1 1
654 . 98 LYS H H 7.79 0.02 1
655 . 98 LYS HA H 3.86 0.02 1
656 . 98 LYS HB2 H 1.96 0.02 1
657 . 98 LYS HB3 H 1.96 0.02 1
658 . 98 LYS HG2 H 1.57 0.02 2
659 . 98 LYS HG3 H 1.37 0.02 2
660 . 98 LYS HD3 H 1.74 0.02 1
661 . 98 LYS C C 179.16 0.25 1
662 . 98 LYS CA C 59.858 0.25 1
663 . 98 LYS CB C 31.99 0.25 1
664 . 98 LYS CG C 24.93 0.25 1
665 . 98 LYS CD C 28.7 0.25 1
666 . 98 LYS CE C 42.3 0.25 1
667 . 98 LYS N N 119.11 0.1 1
668 . 99 LYS H H 8.19 0.02 1
669 . 99 LYS HA H 4.06 0.02 1
670 . 99 LYS HB2 H 1.94 0.02 2
671 . 99 LYS HB3 H 1.83 0.02 2
672 . 99 LYS HG2 H 1.58 0.02 2
673 . 99 LYS HG3 H 1.38 0.02 2
674 . 99 LYS HD2 H 1.63 0.02 1
675 . 99 LYS HD3 H 1.63 0.02 1
676 . 99 LYS HE2 H 2.92 0.02 1
677 . 99 LYS HE3 H 2.92 0.02 1
678 . 99 LYS C C 180.099 0.25 1
679 . 99 LYS CA C 59.52 0.25 1
680 . 99 LYS CB C 32.37 0.25 1
681 . 99 LYS CG C 25.35 0.25 1
682 . 99 LYS CD C 29.2 0.25 1
683 . 99 LYS N N 118.525 0.1 1
684 . 100 THR H H 8.495 0.02 1
685 . 100 THR HA H 3.53 0.02 1
686 . 100 THR HB H 4.03 0.02 1
687 . 100 THR HG2 H 1.1 0.02 1
688 . 100 THR C C 175.888 0.25 1
689 . 100 THR CA C 67.1 0.25 1
690 . 100 THR CB C 67.7 0.25 1
691 . 100 THR CG2 C 22.361 0.25 1
692 . 100 THR N N 118.525 0.1 1
693 . 101 ALA H H 9.358 0.02 1
694 . 101 ALA HA H 4.04 0.02 1
695 . 101 ALA HB H 1.7 0.02 1
696 . 101 ALA C C 179.22 0.25 1
697 . 101 ALA CA C 55.695 0.25 1
698 . 101 ALA CB C 17.989 0.25 1
699 . 101 ALA N N 125.527 0.1 1
700 . 102 ASN H H 7.89 0.02 1
701 . 102 ASN HA H 4.49 0.02 1
702 . 102 ASN HB2 H 2.9 0.02 2
703 . 102 ASN HB3 H 2.86 0.02 2
704 . 102 ASN HD21 H 7.68 0.02 2
705 . 102 ASN HD22 H 6.94 0.02 2
706 . 102 ASN C C 178.055 0.25 1
707 . 102 ASN CA C 56.024 0.25 1
708 . 102 ASN CB C 37.757 0.25 1
709 . 102 ASN N N 116.02 0.1 1
710 . 102 ASN ND2 N 115.81 0.1 1
711 . 103 LYS H H 7.39 0.02 1
712 . 103 LYS HA H 4.04 0.02 1
713 . 103 LYS HB2 H 1.68 0.02 2
714 . 103 LYS HB3 H 1.57 0.02 2
715 . 103 LYS HG2 H 1.45 0.02 2
716 . 103 LYS HG3 H 1.14 0.02 2
717 . 103 LYS HD2 H 1.4 0.02 2
718 . 103 LYS HD3 H 1.21 0.02 2
719 . 103 LYS C C 178.577 0.25 1
720 . 103 LYS CA C 59.237 0.25 1
721 . 103 LYS CB C 31.899 0.25 1
722 . 103 LYS CG C 24.9 0.25 1
723 . 103 LYS CD C 29.5 0.25 1
724 . 103 LYS CE C 41.4 0.25 1
725 . 103 LYS N N 121.387 0.1 1
726 . 104 VAL H H 8.13 0.02 1
727 . 104 VAL HA H 3.14 0.02 1
728 . 104 VAL HB H 1.65 0.02 1
729 . 104 VAL HG1 H 0.94 0.02 2
730 . 104 VAL C C 176.957 0.25 1
731 . 104 VAL CA C 67.455 0.25 1
732 . 104 VAL CB C 31.18 0.25 1
733 . 104 VAL CG1 C 25.21 0.25 1
734 . 104 VAL CG2 C 20.76 0.25 1
735 . 104 VAL N N 119.406 0.1 1
736 . 105 ARG H H 8.436 0.02 1
737 . 105 ARG HA H 3.69 0.02 1
738 . 105 ARG HB2 H 1.97 0.02 1
739 . 105 ARG HB3 H 1.97 0.02 1
740 . 105 ARG HG2 H 1.89 0.02 2
741 . 105 ARG HG3 H 1.68 0.02 2
742 . 105 ARG HD2 H 3.34 0.02 1
743 . 105 ARG HD3 H 3.34 0.02 1
744 . 105 ARG C C 179.41 0.25 1
745 . 105 ARG CA C 60.097 0.25 1
746 . 105 ARG CB C 30.352 0.25 1
747 . 105 ARG CG C 28.293 0.25 1
748 . 105 ARG CD C 43.318 0.25 1
749 . 105 ARG N N 118.378 0.1 1
750 . 106 SER H H 7.83 0.02 1
751 . 106 SER HA H 4.21 0.02 1
752 . 106 SER HB2 H 3.99 0.02 1
753 . 106 SER HB3 H 3.99 0.02 1
754 . 106 SER C C 177.228 0.25 1
755 . 106 SER CA C 61.2 0.25 1
756 . 106 SER CB C 62.41 0.25 1
757 . 106 SER N N 113.67 0.1 1
758 . 107 LYS H H 8.218 0.02 1
759 . 107 LYS HA H 4.19 0.02 1
760 . 107 LYS HB2 H 1.81 0.02 1
761 . 107 LYS HB3 H 1.81 0.02 1
762 . 107 LYS HG2 H 1.41 0.02 1
763 . 107 LYS HG3 H 1.41 0.02 1
764 . 107 LYS HD2 H 1.64 0.02 1
765 . 107 LYS HD3 H 1.64 0.02 1
766 . 107 LYS HE2 H 2.94 0.02 2
767 . 107 LYS HE3 H 2.82 0.02 2
768 . 107 LYS C C 179.902 0.25 1
769 . 107 LYS CA C 59.208 0.25 1
770 . 107 LYS CB C 32.489 0.25 1
771 . 107 LYS N N 123.168 0.1 1
772 . 108 LEU H H 8.912 0.02 1
773 . 108 LEU HA H 4.1 0.02 1
774 . 108 LEU HB2 H 1.97 0.02 2
775 . 108 LEU HB3 H 1.47 0.02 2
776 . 108 LEU HG H 1.66 0.02 1
777 . 108 LEU HD1 H 0.72 0.02 2
778 . 108 LEU HD2 H 0.57 0.02 2
779 . 108 LEU C C 179.259 0.25 1
780 . 108 LEU CA C 58.089 0.25 1
781 . 108 LEU CB C 41.213 0.25 1
782 . 108 LEU CD1 C 23.1 0.25 1
783 . 108 LEU CD2 C 26.24 0.25 1
784 . 108 LEU N N 119.7 0.1 1
785 . 109 LYS H H 7.972 0.02 1
786 . 109 LYS HA H 4.22 0.02 1
787 . 109 LYS HB2 H 2.02 0.02 1
788 . 109 LYS HB3 H 1.98 0.02 1
789 . 109 LYS HG2 H 1.51 0.02 1
790 . 109 LYS HG3 H 1.51 0.02 1
791 . 109 LYS HD2 H 1.73 0.02 1
792 . 109 LYS HD3 H 1.73 0.02 1
793 . 109 LYS HE2 H 2.93 0.02 1
794 . 109 LYS HE3 H 2.93 0.02 1
795 . 109 LYS C C 178.48 0.25 1
796 . 109 LYS CA C 58.253 0.25 1
797 . 109 LYS CB C 31.4 0.25 1
798 . 109 LYS CG C 24.24 0.25 1
799 . 109 LYS CD C 28.2 0.25 1
800 . 109 LYS N N 120.58 0.1 1
801 . 110 SER H H 7.89 0.02 1
802 . 110 SER HA H 4.3 0.02 1
803 . 110 SER HB2 H 4.04 0.02 1
804 . 110 SER HB3 H 4.04 0.02 1
805 . 110 SER C C 177.905 0.25 1
806 . 110 SER CA C 62 0.25 1
807 . 110 SER CB C 61.84 0.25 1
808 . 110 SER N N 115.14 0.1 1
809 . 111 ILE H H 7.807 0.02 1
810 . 111 ILE HA H 3.91 0.02 1
811 . 111 ILE HB H 2.11 0.02 1
812 . 111 ILE HG12 H 1.92 0.02 2
813 . 111 ILE HG13 H 1.29 0.02 2
814 . 111 ILE HG2 H 1.08 0.02 1
815 . 111 ILE HD1 H 0.72 0.02 1
816 . 111 ILE C C 177.954 0.25 1
817 . 111 ILE CA C 64.987 0.25 1
818 . 111 ILE CB C 38.2 0.25 1
819 . 111 ILE CG1 C 28.5 0.25 1
820 . 111 ILE CG2 C 17.85 0.25 1
821 . 111 ILE CD1 C 13.5 0.25 1
822 . 111 ILE N N 121.755 0.1 1
823 . 112 GLU H H 8.383 0.02 1
824 . 112 GLU HA H 3.36 0.02 1
825 . 112 GLU HB2 H 2.23 0.02 2
826 . 112 GLU HB3 H 1.88 0.02 2
827 . 112 GLU HG2 H 2.06 0.02 2
828 . 112 GLU HG3 H 2 0.02 2
829 . 112 GLU C C 178.4 0.25 1
830 . 112 GLU CA C 59.62 0.25 1
831 . 112 GLU CB C 29.52 0.25 1
832 . 112 GLU CG C 35.8 0.25 1
833 . 112 GLU N N 123.012 0.1 1
834 . 113 GLN H H 8.49 0.02 1
835 . 113 GLN HA H 4.08 0.02 1
836 . 113 GLN HB2 H 2.22 0.02 2
837 . 113 GLN HB3 H 2.07 0.02 2
838 . 113 GLN HG2 H 2.54 0.02 2
839 . 113 GLN HG3 H 2.38 0.02 2
840 . 113 GLN HE21 H 7.5 0.02 2
841 . 113 GLN HE22 H 6.8 0.02 2
842 . 113 GLN C C 178.43 0.25 1
843 . 113 GLN CA C 58.703 0.25 1
844 . 113 GLN CB C 28.34 0.25 1
845 . 113 GLN CG C 34.394 0.25 1
846 . 113 GLN N N 118.08 0.1 1
847 . 113 GLN NE2 N 114.81 0.1 1
848 . 114 SER H H 7.78 0.02 1
849 . 114 SER HA H 4.27 0.02 1
850 . 114 SER HB2 H 4.03 0.02 1
851 . 114 SER HB3 H 4.03 0.02 1
852 . 114 SER C C 176.729 0.25 1
853 . 114 SER CA C 61.325 0.25 1
854 . 114 SER CB C 62.567 0.25 1
855 . 114 SER N N 115.88 0.1 1
856 . 115 ILE H H 7.861 0.02 1
857 . 115 ILE HA H 3.54 0.02 1
858 . 115 ILE HB H 1.89 0.02 1
859 . 115 ILE HG12 H 1.74 0.02 2
860 . 115 ILE HG13 H 0.69 0.02 2
861 . 115 ILE HG2 H 0.8 0.02 1
862 . 115 ILE HD1 H 0.62 0.02 1
863 . 115 ILE C C 177.1 0.25 1
864 . 115 ILE CA C 65.11 0.25 1
865 . 115 ILE CB C 38.1 0.25 1
866 . 115 ILE CG1 C 29.3 0.25 1
867 . 115 ILE CG2 C 17.52 0.25 1
868 . 115 ILE CD1 C 14.3 0.25 1
869 . 115 ILE N N 122.978 0.1 1
870 . 116 GLU H H 8.033 0.02 1
871 . 116 GLU HA H 4.05 0.02 1
872 . 116 GLU HB2 H 2.05 0.02 2
873 . 116 GLU HB3 H 2.63 0.02 2
874 . 116 GLU HG2 H 2.38 0.02 1
875 . 116 GLU HG3 H 2.38 0.02 1
876 . 116 GLU C C 179.4 0.25 1
877 . 116 GLU CA C 58.73 0.25 1
878 . 116 GLU CB C 29.4 0.25 1
879 . 116 GLU CG C 36.2 0.25 1
880 . 116 GLU N N 119.112 0.1 1
881 . 117 GLN H H 7.972 0.02 1
882 . 117 GLN HA H 4.08 0.02 1
883 . 117 GLN HB2 H 2.15 0.02 1
884 . 117 GLN HB3 H 2.15 0.02 1
885 . 117 GLN HG2 H 2.43 0.02 2
886 . 117 GLN HG3 H 2.38 0.02 2
887 . 117 GLN HE21 H 7.44 0.02 2
888 . 117 GLN HE22 H 6.77 0.02 2
889 . 117 GLN C C 178.005 0.25 1
890 . 117 GLN CA C 57.892 0.25 1
891 . 117 GLN CB C 28.511 0.25 1
892 . 117 GLN CG C 33.897 0.25 1
893 . 117 GLN N N 118.084 0.1 1
894 . 117 GLN NE2 N 114.69 0.1 1
895 . 118 GLU H H 7.823 0.02 1
896 . 118 GLU HA H 4.05 0.02 1
897 . 118 GLU HB2 H 2.03 0.02 1
898 . 118 GLU HB3 H 2.03 0.02 1
899 . 118 GLU HG2 H 2.26 0.02 2
900 . 118 GLU HG3 H 2.21 0.02 2
901 . 118 GLU C C 178.605 0.25 1
902 . 118 GLU CA C 58.437 0.25 1
903 . 118 GLU CB C 29.826 0.25 1
904 . 118 GLU CG C 36.373 0.25 1
905 . 118 GLU N N 119.846 0.1 1
906 . 119 GLU H H 8.564 0.02 1
907 . 119 GLU HA H 3.97 0.02 1
908 . 119 GLU HB2 H 2.09 0.02 2
909 . 119 GLU HB3 H 1.98 0.02 2
910 . 119 GLU HG2 H 2.35 0.02 2
911 . 119 GLU HG3 H 2.17 0.02 2
912 . 119 GLU C C 178.764 0.25 1
913 . 119 GLU CA C 58.69 0.25 1
914 . 119 GLU CB C 29.611 0.25 1
915 . 119 GLU CG C 36.944 0.25 1
916 . 119 GLU N N 120.727 0.1 1
917 . 120 GLY H H 8.017 0.02 1
918 . 120 GLY HA2 H 3.92 0.02 2
919 . 120 GLY HA3 H 3.88 0.02 2
920 . 120 GLY C C 174.644 0.25 1
921 . 120 GLY CA C 45.892 0.25 1
922 . 120 GLY N N 106.7 0.1 1
923 . 121 LEU H H 7.49 0.02 1
924 . 121 LEU HA H 4.34 0.02 1
925 . 121 LEU HB2 H 1.7 0.02 2
926 . 121 LEU HB3 H 1.55 0.02 2
927 . 121 LEU HD1 H 0.86 0.02 2
928 . 121 LEU HD2 H 0.83 0.02 2
929 . 121 LEU C C 177.11 0.25 1
930 . 121 LEU CA C 55.065 0.25 1
931 . 121 LEU CB C 42.391 0.25 1
932 . 121 LEU CD1 C 25.11 0.25 1
933 . 121 LEU CD2 C 22.67 0.25 1
934 . 121 LEU N N 119.993 0.1 1
935 . 122 ASN H H 8.19 0.02 1
936 . 122 ASN HA H 4.56 0.02 1
937 . 122 ASN HB2 H 2.95 0.02 2
938 . 122 ASN HB3 H 2.71 0.02 2
939 . 122 ASN HD21 H 7.58 0.02 2
940 . 122 ASN HD22 H 6.84 0.02 2
941 . 122 ASN C C 174.726 0.25 1
942 . 122 ASN CA C 53.51 0.25 1
943 . 122 ASN CB C 37.794 0.25 1
944 . 122 ASN N N 116.32 0.1 1
945 . 122 ASN ND2 N 115.53 0.1 1
946 . 123 ARG H H 8.024 0.02 1
947 . 123 ARG HA H 4.33 0.02 1
948 . 123 ARG HB2 H 1.83 0.02 2
949 . 123 ARG HB3 H 1.73 0.02 2
950 . 123 ARG HG2 H 1.57 0.02 1
951 . 123 ARG HG3 H 1.57 0.02 1
952 . 123 ARG HD2 H 3.11 0.02 1
953 . 123 ARG HD3 H 3.11 0.02 1
954 . 123 ARG C C 176.07 0.25 1
955 . 123 ARG CA C 56.192 0.25 1
956 . 123 ARG CB C 30.763 0.25 1
957 . 123 ARG CG C 27.053 0.25 1
958 . 123 ARG CD C 43.247 0.25 1
959 . 123 ARG N N 119.112 0.1 1
960 . 124 SER H H 8.33 0.02 1
961 . 124 SER HA H 4.47 0.02 1
962 . 124 SER HB2 H 3.89 0.02 2
963 . 124 SER HB3 H 3.83 0.02 2
964 . 124 SER C C 174.41 0.25 1
965 . 124 SER CA C 57.63 0.25 1
966 . 124 SER CB C 63.29 0.25 1
967 . 124 SER N N 115.44 0.1 1
968 . 125 SER H H 8.02 0.02 1
969 . 125 SER HA H 4.4 0.02 1
970 . 125 SER HB2 H 4.05 0.02 2
971 . 125 SER HB3 H 3.9 0.02 2
972 . 125 SER C C 175.64 0.25 1
973 . 125 SER CA C 58.27 0.25 1
974 . 125 SER CB C 63.83 0.25 1
975 . 125 SER N N 118.08 0.1 1
976 . 126 ALA H H 8.79 0.02 1
977 . 126 ALA HA H 4.11 0.02 1
978 . 126 ALA HB H 1.45 0.02 1
979 . 126 ALA C C 179.51 0.25 1
980 . 126 ALA CA C 54.903 0.25 1
981 . 126 ALA CB C 18.44 0.25 1
982 . 126 ALA N N 127.24 0.1 1
983 . 127 ASP H H 8.08 0.02 1
984 . 127 ASP HA H 4.41 0.02 1
985 . 127 ASP HB2 H 2.74 0.02 2
986 . 127 ASP HB3 H 2.61 0.02 2
987 . 127 ASP C C 177.935 0.25 1
988 . 127 ASP CA C 56.35 0.25 1
989 . 127 ASP CB C 40.558 0.25 1
990 . 127 ASP N N 117.49 0.1 1
991 . 128 LEU H H 7.721 0.02 1
992 . 128 LEU HA H 3.86 0.02 1
993 . 128 LEU HB2 H 1.75 0.02 2
994 . 128 LEU HB3 H 1.62 0.02 2
995 . 128 LEU HG H 1.59 0.02 1
996 . 128 LEU HD1 H 0.9 0.02 2
997 . 128 LEU HD2 H 0.88 0.02 2
998 . 128 LEU C C 178.3 0.25 1
999 . 128 LEU CA C 57.761 0.25 1
1000 . 128 LEU CB C 41.581 0.25 1
1001 . 128 LEU CD1 C 24.6 0.25 1
1002 . 128 LEU CD2 C 25.3 0.25 1
1003 . 128 LEU N N 121.755 0.1 1
1004 . 129 ARG H H 7.76 0.02 1
1005 . 129 ARG HA H 3.96 0.02 1
1006 . 129 ARG HB2 H 1.96 0.02 1
1007 . 129 ARG HB3 H 1.96 0.02 1
1008 . 129 ARG HG2 H 1.77 0.02 2
1009 . 129 ARG HG3 H 1.59 0.02 2
1010 . 129 ARG HD2 H 3.2 0.02 1
1011 . 129 ARG HD3 H 3.2 0.02 1
1012 . 129 ARG C C 179.456 0.25 1
1013 . 129 ARG CA C 59.5 0.25 1
1014 . 129 ARG CB C 29.6 0.25 1
1015 . 129 ARG CG C 27.42 0.25 1
1016 . 129 ARG CD C 43.3 0.25 1
1017 . 129 ARG N N 118.08 0.1 1
1018 . 130 ILE H H 7.758 0.02 1
1019 . 130 ILE HA H 3.86 0.02 1
1020 . 130 ILE HB H 2.03 0.02 1
1021 . 130 ILE HG12 H 1.79 0.02 2
1022 . 130 ILE HG13 H 1.29 0.02 2
1023 . 130 ILE HG2 H 1.07 0.02 1
1024 . 130 ILE HD1 H 0.99 0.02 1
1025 . 130 ILE C C 178.24 0.25 1
1026 . 130 ILE CA C 64.5 0.25 1
1027 . 130 ILE CB C 37.8 0.25 1
1028 . 130 ILE CG1 C 29.07 0.25 1
1029 . 130 ILE CG2 C 17.7 0.25 1
1030 . 130 ILE CD1 C 13.03 0.25 1
1031 . 130 ILE N N 121.023 0.1 1
1032 . 131 ARG H H 7.811 0.02 1
1033 . 131 ARG HA H 3.83 0.02 1
1034 . 131 ARG HB2 H 1.14 0.02 1
1035 . 131 ARG HB3 H 1.14 0.02 1
1036 . 131 ARG HG2 H 1.3 0.02 2
1037 . 131 ARG HG3 H -0.23 0.02 2
1038 . 131 ARG HD2 H 2.57 0.02 2
1039 . 131 ARG HD3 H 2.46 0.02 2
1040 . 131 ARG C C 178.474 0.25 1
1041 . 131 ARG CA C 59.8 0.25 1
1042 . 131 ARG CB C 30.2 0.25 1
1043 . 131 ARG CG C 26.9 0.25 1
1044 . 131 ARG CD C 43.829 0.25 1
1045 . 131 ARG N N 119.259 0.1 1
1046 . 132 LYS H H 8.546 0.02 1
1047 . 132 LYS HA H 4.02 0.02 1
1048 . 132 LYS HB2 H 1.93 0.02 2
1049 . 132 LYS HB3 H 1.8 0.02 2
1050 . 132 LYS HG2 H 1.63 0.02 2
1051 . 132 LYS HG3 H 1.48 0.02 2
1052 . 132 LYS HD2 H 1.66 0.02 1
1053 . 132 LYS HD3 H 1.66 0.02 1
1054 . 132 LYS HE2 H 2.84 0.02 1
1055 . 132 LYS HE3 H 2.84 0.02 1
1056 . 132 LYS C C 179.68 0.25 1
1057 . 132 LYS CA C 60.19 0.25 1
1058 . 132 LYS CB C 32.682 0.25 1
1059 . 132 LYS CG C 26.1 0.25 1
1060 . 132 LYS CD C 29.7 0.25 1
1061 . 132 LYS N N 118.378 0.1 1
1062 . 133 THR H H 8.41 0.02 1
1063 . 133 THR HA H 4.08 0.02 1
1064 . 133 THR HB H 4.38 0.02 1
1065 . 133 THR HG2 H 1.28 0.02 1
1066 . 133 THR C C 177.355 0.25 1
1067 . 133 THR CA C 66.569 0.25 1
1068 . 133 THR CB C 68.65 0.25 1
1069 . 133 THR CG2 C 21.5 0.25 1
1070 . 133 THR N N 117.2 0.1 1
1071 . 134 GLN H H 8.54 0.02 1
1072 . 134 GLN HA H 4.2 0.02 1
1073 . 134 GLN HB2 H 2.35 0.02 2
1074 . 134 GLN HB3 H 2.31 0.02 2
1075 . 134 GLN HG2 H 2.78 0.02 2
1076 . 134 GLN HG3 H 2.44 0.02 2
1077 . 134 GLN HE21 H 7.32 0.02 2
1078 . 134 GLN HE22 H 6.86 0.02 2
1079 . 134 GLN C C 178.212 0.25 1
1080 . 134 GLN CA C 58.905 0.25 1
1081 . 134 GLN CB C 28.055 0.25 1
1082 . 134 GLN CG C 33.892 0.25 1
1083 . 134 GLN N N 121.317 0.1 1
1084 . 134 GLN NE2 N 114.35 0.1 1
1085 . 135 HIS H H 8.763 0.02 1
1086 . 135 HIS HA H 3.92 0.02 1
1087 . 135 HIS HB2 H 3.31 0.02 2
1088 . 135 HIS HB3 H 3.1 0.02 2
1089 . 135 HIS HE1 H 7.63 0.02 1
1090 . 135 HIS C C 177.99 0.25 1
1091 . 135 HIS CA C 62.37 0.25 1
1092 . 135 HIS CB C 31.3 0.25 1
1093 . 135 HIS CE1 C 138.72 0.25 1
1094 . 135 HIS N N 118.965 0.1 1
1095 . 136 SER H H 8.63 0.02 1
1096 . 136 SER HA H 4.14 0.02 1
1097 . 136 SER C C 177.107 0.25 1
1098 . 136 SER CA C 61.51 0.25 1
1099 . 136 SER CB C 61.9 0.25 1
1100 . 136 SER N N 116.02 0.1 1
1101 . 137 THR H H 8.338 0.02 1
1102 . 137 THR HA H 3.96 0.02 1
1103 . 137 THR HB H 4.28 0.02 1
1104 . 137 THR HG2 H 1.26 0.02 1
1105 . 137 THR C C 176.77 0.25 1
1106 . 137 THR CA C 66.44 0.25 1
1107 . 137 THR CB C 68.76 0.25 1
1108 . 137 THR CG2 C 21.31 0.25 1
1109 . 137 THR N N 118.672 0.1 1
1110 . 138 LEU H H 8.2 0.02 1
1111 . 138 LEU HA H 3.95 0.02 1
1112 . 138 LEU HB2 H 1.82 0.02 2
1113 . 138 LEU HB3 H 1.19 0.02 2
1114 . 138 LEU HG H 1.95 0.02 1
1115 . 138 LEU HD1 H 0.84 0.02 2
1116 . 138 LEU HD2 H 0.81 0.02 2
1117 . 138 LEU C C 178.27 0.25 1
1118 . 138 LEU CA C 57.655 0.25 1
1119 . 138 LEU CB C 42.909 0.25 1
1120 . 138 LEU CD1 C 25.9 0.25 2
1121 . 138 LEU CD2 C 22.02 0.25 2
1122 . 138 LEU N N 121.608 0.1 1
1123 . 139 SER H H 8.26 0.02 1
1124 . 139 SER HA H 4.03 0.02 1
1125 . 139 SER HB2 H 3.78 0.02 1
1126 . 139 SER HB3 H 3.78 0.02 1
1127 . 139 SER C C 175.865 0.25 1
1128 . 139 SER CA C 62.45 0.25 1
1129 . 139 SER CB C 62.5 0.25 1
1130 . 139 SER N N 113.67 0.1 1
1131 . 140 ARG H H 7.994 0.02 1
1132 . 140 ARG HA H 4.05 0.02 1
1133 . 140 ARG HB2 H 1.95 0.02 1
1134 . 140 ARG HB3 H 1.95 0.02 1
1135 . 140 ARG HG2 H 1.78 0.02 2
1136 . 140 ARG HG3 H 1.63 0.02 2
1137 . 140 ARG HD2 H 3.19 0.02 1
1138 . 140 ARG HD3 H 3.19 0.02 1
1139 . 140 ARG C C 178.543 0.25 1
1140 . 140 ARG CA C 59.3 0.25 1
1141 . 140 ARG CB C 29.5 0.25 1
1142 . 140 ARG CG C 27.2 0.25 1
1143 . 140 ARG CD C 43.24 0.25 1
1144 . 140 ARG N N 120.434 0.1 1
1145 . 141 LYS H H 7.814 0.02 1
1146 . 141 LYS HA H 4.19 0.02 1
1147 . 141 LYS HB2 H 1.99 0.02 1
1148 . 141 LYS HB3 H 1.99 0.02 1
1149 . 141 LYS HG2 H 1.55 0.02 1
1150 . 141 LYS HG3 H 1.55 0.02 1
1151 . 141 LYS HD2 H 1.73 0.02 1
1152 . 141 LYS HD3 H 1.73 0.02 1
1153 . 141 LYS HE2 H 2.86 0.02 1
1154 . 141 LYS HE3 H 2.86 0.02 1
1155 . 141 LYS C C 178.345 0.25 1
1156 . 141 LYS CA C 58.455 0.25 1
1157 . 141 LYS CB C 31.96 0.25 1
1158 . 141 LYS CG C 24.93 0.25 1
1159 . 141 LYS CD C 29.1 0.25 1
1160 . 141 LYS N N 119.406 0.1 1
1161 . 142 PHE H H 8.496 0.02 1
1162 . 142 PHE HA H 4.403 0.02 1
1163 . 142 PHE HB2 H 3.26 0.02 2
1164 . 142 PHE HB3 H 3.15 0.02 2
1165 . 142 PHE HD1 H 7.16 0.02 1
1166 . 142 PHE HD2 H 7.16 0.02 1
1167 . 142 PHE HE1 H 7.27 0.02 1
1168 . 142 PHE HE2 H 7.27 0.02 1
1169 . 142 PHE HZ H 7.32 0.02 1
1170 . 142 PHE C C 176.459 0.25 1
1171 . 142 PHE CA C 59.73 0.25 1
1172 . 142 PHE CB C 38.861 0.25 1
1173 . 142 PHE CD1 C 131.13 0.25 1
1174 . 142 PHE CD2 C 131.13 0.25 1
1175 . 142 PHE CE1 C 130.73 0.25 1
1176 . 142 PHE CE2 C 130.73 0.25 1
1177 . 142 PHE N N 118.965 0.1 1
1178 . 143 VAL H H 8.344 0.02 1
1179 . 143 VAL HA H 3.32 0.02 1
1180 . 143 VAL HB H 2.2 0.02 1
1181 . 143 VAL HG1 H 1.08 0.02 2
1182 . 143 VAL HG2 H 0.9 0.02 2
1183 . 143 VAL C C 179.4 0.25 1
1184 . 143 VAL CA C 66.482 0.25 1
1185 . 143 VAL CB C 31.4 0.25 1
1186 . 143 VAL CG1 C 23.01 0.25 1
1187 . 143 VAL CG2 C 21.02 0.25 1
1188 . 143 VAL N N 118.672 0.1 1
1189 . 144 GLU H H 8.2 0.02 1
1190 . 144 GLU HA H 4.02 0.02 1
1191 . 144 GLU HB2 H 2.26 0.02 2
1192 . 144 GLU HB3 H 2.18 0.02 2
1193 . 144 GLU HG2 H 2.49 0.02 2
1194 . 144 GLU HG3 H 2.24 0.02 2
1195 . 144 GLU C C 179.813 0.25 1
1196 . 144 GLU CA C 59.781 0.25 1
1197 . 144 GLU CB C 29.447 0.25 1
1198 . 144 GLU CG C 36.398 0.25 1
1199 . 144 GLU N N 121.46 0.1 1
1200 . 145 VAL H H 8.268 0.02 1
1201 . 145 VAL HA H 4.03 0.02 1
1202 . 145 VAL HB H 2.18 0.02 1
1203 . 145 VAL HG1 H 1.14 0.02 2
1204 . 145 VAL HG2 H 1.07 0.02 2
1205 . 145 VAL C C 178.35 0.25 1
1206 . 145 VAL CA C 65.648 0.25 1
1207 . 145 VAL CB C 31.883 0.25 1
1208 . 145 VAL CG1 C 23.055 0.25 1
1209 . 145 VAL CG2 C 21.29 0.25 1
1210 . 145 VAL N N 120.14 0.1 1
1211 . 146 MET H H 8.18 0.02 1
1212 . 146 MET HA H 4.66 0.02 1
1213 . 146 MET HB2 H 1.81 0.02 1
1214 . 146 MET HB3 H 1.81 0.02 1
1215 . 146 MET HG2 H 1.93 0.02 2
1216 . 146 MET HG3 H 1.65 0.02 2
1217 . 146 MET HE H 1.78 0.02 1
1218 . 146 MET C C 179.945 0.25 1
1219 . 146 MET CA C 55.566 0.25 1
1220 . 146 MET CB C 28.57 0.25 1
1221 . 146 MET CG C 32.36 0.25 1
1222 . 146 MET CE C 15.8 0.25 1
1223 . 146 MET N N 118.08 0.1 1
1224 . 147 SER H H 8.497 0.02 1
1225 . 147 SER HA H 4.32 0.02 1
1226 . 147 SER HB2 H 4.04 0.02 1
1227 . 147 SER HB3 H 4.04 0.02 1
1228 . 147 SER C C 177.341 0.25 1
1229 . 147 SER CA C 62.24 0.25 1
1230 . 147 SER CB C 61.88 0.25 1
1231 . 147 SER N N 118.231 0.1 1
1232 . 148 GLU H H 7.732 0.02 1
1233 . 148 GLU HA H 4.23 0.02 1
1234 . 148 GLU HB2 H 2.27 0.02 2
1235 . 148 GLU HB3 H 2.18 0.02 2
1236 . 148 GLU HG2 H 2.3 0.02 1
1237 . 148 GLU HG3 H 2.3 0.02 1
1238 . 148 GLU C C 179.53 0.25 1
1239 . 148 GLU CA C 58.99 0.25 1
1240 . 148 GLU CB C 28.966 0.25 1
1241 . 148 GLU CG C 35.59 0.25 1
1242 . 148 GLU N N 123.861 0.1 1
1243 . 149 TYR H H 8.396 0.02 1
1244 . 149 TYR HA H 4.25 0.02 1
1245 . 149 TYR HB2 H 3.24 0.02 2
1246 . 149 TYR HB3 H 3.18 0.02 2
1247 . 149 TYR HD1 H 6.99 0.02 1
1248 . 149 TYR HD2 H 6.99 0.02 1
1249 . 149 TYR HE1 H 6.66 0.02 1
1250 . 149 TYR HE2 H 6.66 0.02 1
1251 . 149 TYR C C 177.464 0.25 1
1252 . 149 TYR CA C 60.264 0.25 1
1253 . 149 TYR CB C 37.504 0.25 1
1254 . 149 TYR CD1 C 132.79 0.25 1
1255 . 149 TYR CD2 C 132.79 0.25 1
1256 . 149 TYR CE1 C 118.19 0.25 1
1257 . 149 TYR CE2 C 118.19 0.25 1
1258 . 149 TYR N N 121.005 0.1 1
1259 . 150 ASN H H 8.8 0.02 1
1260 . 150 ASN HA H 4.13 0.02 1
1261 . 150 ASN HB2 H 2.84 0.02 2
1262 . 150 ASN HB3 H 2.77 0.02 2
1263 . 150 ASN HD21 H 7.57 0.02 2
1264 . 150 ASN HD22 H 6.83 0.02 2
1265 . 150 ASN C C 177.733 0.25 1
1266 . 150 ASN CA C 56 0.25 1
1267 . 150 ASN CB C 37.877 0.25 1
1268 . 150 ASN N N 119.112 0.1 1
1269 . 150 ASN ND2 N 115.1 0.1 1
1270 . 151 ALA H H 8.011 0.02 1
1271 . 151 ALA HA H 4.15 0.02 1
1272 . 151 ALA HB H 1.5 0.02 1
1273 . 151 ALA C C 179.76 0.25 1
1274 . 151 ALA CA C 54.86 0.25 1
1275 . 151 ALA CB C 17.88 0.25 1
1276 . 151 ALA N N 122.926 0.1 1
1277 . 152 THR H H 7.85 0.02 1
1278 . 152 THR HA H 4.203 0.02 1
1279 . 152 THR HB H 4.26 0.02 1
1280 . 152 THR HG2 H 1.32 0.02 1
1281 . 152 THR C C 175.999 0.25 1
1282 . 152 THR CA C 65.239 0.25 1
1283 . 152 THR CB C 68.893 0.25 1
1284 . 152 THR CG2 C 21.484 0.25 1
1285 . 152 THR N N 113.67 0.1 1
1286 . 153 GLN H H 7.903 0.02 1
1287 . 153 GLN HA H 4.03 0.02 1
1288 . 153 GLN HB2 H 1.95 0.02 2
1289 . 153 GLN HB3 H 1.89 0.02 2
1290 . 153 GLN HG2 H 2.04 0.02 2
1291 . 153 GLN HG3 H 1.97 0.02 2
1292 . 153 GLN HE21 H 6.61 0.02 2
1293 . 153 GLN HE22 H 6.53 0.02 2
1294 . 153 GLN C C 177.6 0.25 1
1295 . 153 GLN CA C 57.979 0.25 1
1296 . 153 GLN CB C 29.138 0.25 1
1297 . 153 GLN CG C 33.87 0.25 1
1298 . 153 GLN N N 120.53 0.1 1
1299 . 153 GLN NE2 N 113.79 0.1 1
1300 . 154 SER H H 8.02 0.02 1
1301 . 154 SER HA H 4.136 0.02 1
1302 . 154 SER HB2 H 3.89 0.02 1
1303 . 154 SER HB3 H 3.89 0.02 1
1304 . 154 SER C C 175.596 0.25 1
1305 . 154 SER CA C 60.791 0.25 1
1306 . 154 SER CB C 62.667 0.25 1
1307 . 154 SER N N 115.29 0.1 1
1308 . 155 ASP H H 7.957 0.02 1
1309 . 155 ASP HA H 4.4 0.02 1
1310 . 155 ASP HB2 H 2.69 0.02 2
1311 . 155 ASP HB3 H 2.65 0.02 2
1312 . 155 ASP C C 176.98 0.25 1
1313 . 155 ASP CA C 56.25 0.25 1
1314 . 155 ASP CB C 41.381 0.25 1
1315 . 155 ASP N N 121.462 0.1 1
1316 . 156 TYR H H 7.839 0.02 1
1317 . 156 TYR HA H 4.11 0.02 1
1318 . 156 TYR HB2 H 2.66 0.02 2
1319 . 156 TYR HB3 H 2.54 0.02 2
1320 . 156 TYR HD1 H 6.77 0.02 1
1321 . 156 TYR HD2 H 6.77 0.02 1
1322 . 156 TYR HE1 H 6.64 0.02 1
1323 . 156 TYR HE2 H 6.64 0.02 1
1324 . 156 TYR C C 177.194 0.25 1
1325 . 156 TYR CA C 59.866 0.25 1
1326 . 156 TYR CB C 38.058 0.25 1
1327 . 156 TYR CD1 C 132.62 0.25 1
1328 . 156 TYR CD2 C 132.62 0.25 1
1329 . 156 TYR CE1 C 117.84 0.25 1
1330 . 156 TYR CE2 C 117.84 0.25 1
1331 . 156 TYR N N 118.7 0.1 1
1332 . 157 ARG H H 8.001 0.02 1
1333 . 157 ARG HA H 3.85 0.02 1
1334 . 157 ARG HB2 H 1.81 0.02 1
1335 . 157 ARG HB3 H 1.81 0.02 1
1336 . 157 ARG HG2 H 1.66 0.02 2
1337 . 157 ARG HG3 H 1.53 0.02 2
1338 . 157 ARG HD2 H 3.14 0.02 1
1339 . 157 ARG HD3 H 3.14 0.02 1
1340 . 157 ARG C C 177.584 0.25 1
1341 . 157 ARG CA C 57.721 0.25 1
1342 . 157 ARG CB C 30.354 0.25 1
1343 . 157 ARG CG C 27.288 0.25 1
1344 . 157 ARG CD C 43.198 0.25 1
1345 . 157 ARG N N 120.14 0.1 1
1346 . 158 GLU H H 7.969 0.02 1
1347 . 158 GLU HA H 4.084 0.02 1
1348 . 158 GLU HB2 H 2.03 0.02 1
1349 . 158 GLU HB3 H 2.03 0.02 1
1350 . 158 GLU HG2 H 2.27 0.02 1
1351 . 158 GLU HG3 H 2.27 0.02 1
1352 . 158 GLU C C 177.474 0.25 1
1353 . 158 GLU CA C 57.462 0.25 1
1354 . 158 GLU CB C 29.677 0.25 1
1355 . 158 GLU CG C 36.025 0.25 1
1356 . 158 GLU N N 118.672 0.1 1
1357 . 159 ARG H H 7.901 0.02 1
1358 . 159 ARG HA H 4.26 0.02 1
1359 . 159 ARG HB2 H 1.87 0.02 2
1360 . 159 ARG HB3 H 1.62 0.02 2
1361 . 159 ARG HG2 H 1.71 0.02 2
1362 . 159 ARG HG3 H 1.62 0.02 2
1363 . 159 ARG HD2 H 3.11 0.02 1
1364 . 159 ARG HD3 H 3.11 0.02 1
1365 . 159 ARG C C 176.43 0.25 1
1366 . 159 ARG CA C 56.559 0.25 1
1367 . 159 ARG CB C 31.152 0.25 1
1368 . 159 ARG CG C 27.439 0.25 1
1369 . 159 ARG CD C 43.384 0.25 1
1370 . 159 ARG N N 118.378 0.1 1
1371 . 160 SER H H 7.83 0.02 1
1372 . 160 SER HA H 4.28 0.02 1
1373 . 160 SER HB2 H 3.69 0.02 2
1374 . 160 SER HB3 H 3.54 0.02 2
1375 . 160 SER C C 173.29 0.25 1
1376 . 160 SER CA C 58.35 0.25 1
1377 . 160 SER CB C 63.6 0.25 1
1378 . 160 SER N N 115.58 0.1 1
1379 . 161 LYS H H 7.57 0.02 1
1380 . 161 LYS HA H 4.07 0.02 1
1381 . 161 LYS HB2 H 1.77 0.02 2
1382 . 161 LYS HB3 H 1.7 0.02 2
1383 . 161 LYS HG2 H 1.37 0.02 1
1384 . 161 LYS HG3 H 1.37 0.02 1
1385 . 161 LYS HD2 H 1.64 0.02 1
1386 . 161 LYS HD3 H 1.64 0.02 1
1387 . 161 LYS HE2 H 2.94 0.02 1
1388 . 161 LYS HE3 H 2.94 0.02 1
1389 . 161 LYS C C 181.1 0.25 1
1390 . 161 LYS CA C 57.7 0.25 1
1391 . 161 LYS CB C 33.4 0.25 1
1392 . 161 LYS CG C 24.767 0.25 1
1393 . 161 LYS CD C 29.3 0.25 1
1394 . 161 LYS N N 127.83 0.1 1
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