data_7122
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Structural Studies of MJ1529, an O6 Methylguanine DNA Methyltransferase
;
_BMRB_accession_number 7122
_BMRB_flat_file_name bmr7122.str
_Entry_type original
_Submission_date 2006-05-18
_Accession_date 2006-06-02
_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 Roberts A. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
coupling_constants 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 740
"13C chemical shifts" 580
"15N chemical shifts" 147
"coupling constants" 101
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2006-10-19 original author 'original release'
2007-01-11 update author 'addition of chemical shifts'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Structural Studies of MJ1529, an O6 Methylguanine DNA Methyltransferase'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16826543
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Roberts A. . .
2 Pelton J. G. .
3 Wemmer D. E. .
stop_
_Journal_abbreviation 'Magn. Reson. Chem.'
_Journal_volume 44
_Journal_issue S1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first S71
_Page_last S82
_Year 2006
_Details .
loop_
_Keyword
'DNA Methyltransferase'
'DNA Repair'
NMR
'protein structure'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_Mj1529
_Saveframe_category molecular_system
_Mol_system_name 'Methylated-DNA--protein-cysteine methyltransferase (E.C.2.1.1.63)'
_Abbreviation_common Mj1529
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Methylated-DNA--protein-cysteine methyltransferase' $Mj1529
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Mj1529
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Methylated-DNA--protein-cysteine methyltransferase (E.C.2.1.1.63)'
_Abbreviation_common Mj1529
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 167
_Mol_residue_sequence
;
MIIQIEEYFIGMIFKGNQLV
RNTIPLRREEIFNFMDGEVV
SNPEDEHLKVAEIILKLYFA
EIDDKKVRELISYKLEVPEF
TKKVLDIVKDIEFGKTLTYG
DIAKKLNTSPRAVGMALKRN
PLPLIIPCHRVVAKNSLGGY
SYGLDKKKFILERERLNMVS
FKFNKVY
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 MET 2 2 ILE 3 3 ILE 4 4 GLN 5 5 ILE
6 6 GLU 7 7 GLU 8 8 TYR 9 9 PHE 10 10 ILE
11 11 GLY 12 12 MET 13 13 ILE 14 14 PHE 15 15 LYS
16 16 GLY 17 17 ASN 18 18 GLN 19 19 LEU 20 20 VAL
21 21 ARG 22 22 ASN 23 23 THR 24 24 ILE 25 25 PRO
26 26 LEU 27 27 ARG 28 28 ARG 29 29 GLU 30 30 GLU
31 31 ILE 32 32 PHE 33 33 ASN 34 34 PHE 35 35 MET
36 36 ASP 37 37 GLY 38 38 GLU 39 39 VAL 40 40 VAL
41 41 SER 42 42 ASN 43 43 PRO 44 44 GLU 45 45 ASP
46 46 GLU 47 47 HIS 48 48 LEU 49 49 LYS 50 50 VAL
51 51 ALA 52 52 GLU 53 53 ILE 54 54 ILE 55 55 LEU
56 56 LYS 57 57 LEU 58 58 TYR 59 59 PHE 60 60 ALA
61 61 GLU 62 62 ILE 63 63 ASP 64 64 ASP 65 65 LYS
66 66 LYS 67 67 VAL 68 68 ARG 69 69 GLU 70 70 LEU
71 71 ILE 72 72 SER 73 73 TYR 74 74 LYS 75 75 LEU
76 76 GLU 77 77 VAL 78 78 PRO 79 79 GLU 80 80 PHE
81 81 THR 82 82 LYS 83 83 LYS 84 84 VAL 85 85 LEU
86 86 ASP 87 87 ILE 88 88 VAL 89 89 LYS 90 90 ASP
91 91 ILE 92 92 GLU 93 93 PHE 94 94 GLY 95 95 LYS
96 96 THR 97 97 LEU 98 98 THR 99 99 TYR 100 100 GLY
101 101 ASP 102 102 ILE 103 103 ALA 104 104 LYS 105 105 LYS
106 106 LEU 107 107 ASN 108 108 THR 109 109 SER 110 110 PRO
111 111 ARG 112 112 ALA 113 113 VAL 114 114 GLY 115 115 MET
116 116 ALA 117 117 LEU 118 118 LYS 119 119 ARG 120 120 ASN
121 121 PRO 122 122 LEU 123 123 PRO 124 124 LEU 125 125 ILE
126 126 ILE 127 127 PRO 128 128 CYS 129 129 HIS 130 130 ARG
131 131 VAL 132 132 VAL 133 133 ALA 134 134 LYS 135 135 ASN
136 136 SER 137 137 LEU 138 138 GLY 139 139 GLY 140 140 TYR
141 141 SER 142 142 TYR 143 143 GLY 144 144 LEU 145 145 ASP
146 146 LYS 147 147 LYS 148 148 LYS 149 149 PHE 150 150 ILE
151 151 LEU 152 152 GLU 153 153 ARG 154 154 GLU 155 155 ARG
156 156 LEU 157 157 ASN 158 158 MET 159 159 VAL 160 160 SER
161 161 PHE 162 162 LYS 163 163 PHE 164 164 ASN 165 165 LYS
166 166 VAL 167 167 TYR
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-11-15
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 2G7H "Structure Of An O6-Methylguanine Dna Methyltransferase From Methanococcus Jannaschii (Mj1529)" 99.40 167 100.00 100.00 6.90e-114
GB AAB99547 "methylated-DNA-protein-cysteine methyltransferase, putative (ogt) [Methanocaldococcus jannaschii DSM 2661]" 100.00 167 100.00 100.00 7.84e-115
REF NP_248537 "methylated-DNA-protein-cysteine methyltransferase [Methanocaldococcus jannaschii DSM 2661]" 100.00 167 100.00 100.00 7.84e-115
REF WP_010871053 "methylated-DNA--protein-cysteine methyltransferase [Methanocaldococcus jannaschii]" 100.00 167 100.00 100.00 7.84e-115
SP Q58924 "RecName: Full=Methylated-DNA--protein-cysteine methyltransferase; AltName: Full=6-O-methylguanine-DNA methyltransferase; Short=" 100.00 167 100.00 100.00 7.84e-115
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Mj1529 'Methanocaldococcus jannaschii' 2190 Archaea . Methanococcus jannaschii
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$Mj1529 'recombinant technology' 'E. coli' Escherichia coli . .
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
$Mj1529 0.8 mM [U-15N]
'sodium phosphate' 50 mM .
NaCl 500 mM .
H2O 95 % .
D2O 5 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Mj1529 0.8 mM '[U-13C; U-15N]'
'sodium phosphate' 50 mM .
NaCl 500 mM .
H2O 95 % .
D2O 5 % .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Mj1529 0.8 mM [U-15N]
'sodium phosphate' 50 mM .
NaCl 500 mM .
D2O 100 % .
stop_
save_
save_sample_4
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Mj1529 0.8 mM [U-13C]
'sodium phosphate' 50 mM .
NaCl 500 mM .
H2O 94 % .
D2O 5 % .
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.1
loop_
_Task
refinement
'structure solution'
stop_
_Details Brunger
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 1
loop_
_Task
processing
stop_
_Details Bax
save_
save_Nmrview
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Task
'data analysis'
stop_
_Details Johnson
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label .
save_
save_HNHA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_Sample_label .
save_
save_4D_13C_Separated_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 13C Separated NOESY'
_Sample_label .
save_
save_4D_13C/15N_Separated_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 13C/15N Separated NOESY'
_Sample_label .
save_
save_D20_Exchange_5
_Saveframe_category NMR_applied_experiment
_Experiment_name 'D20 Exchange'
_Sample_label .
save_
save_3d_13C_Separated_NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3d 13C Separated NOESY'
_Sample_label .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 550 . mM
pH 6.2 . pH
pressure 1 . atm
temperature 303 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation
H2O H 1 protons ppm 4.73 internal direct . . internal 1.0 $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'Methylated-DNA--protein-cysteine methyltransferase'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 MET HA H 4.70 0.03 1
2 1 1 MET HB2 H 2.49 0.03 2
3 1 1 MET HB3 H 2.27 0.03 2
4 1 1 MET C C 172.5 0.1 1
5 1 1 MET CA C 55.0 0.1 1
6 1 1 MET CB C 33.6 0.1 1
7 2 2 ILE H H 8.32 0.03 1
8 2 2 ILE HA H 4.91 0.03 1
9 2 2 ILE HB H 1.71 0.03 1
10 2 2 ILE HG12 H 1.43 0.03 2
11 2 2 ILE HG13 H 0.71 0.03 2
12 2 2 ILE HG2 H 0.88 0.03 1
13 2 2 ILE HD1 H 0.90 0.03 1
14 2 2 ILE C C 182.3 0.1 1
15 2 2 ILE CA C 60.4 0.1 1
16 2 2 ILE CB C 40.1 0.1 1
17 2 2 ILE CG1 C 28.0 0.1 1
18 2 2 ILE CG2 C 19.8 0.1 1
19 2 2 ILE CD1 C 13.5 0.1 1
20 2 2 ILE N N 121.6 0.1 1
21 3 3 ILE H H 8.84 0.03 1
22 3 3 ILE HA H 4.61 0.03 1
23 3 3 ILE HB H 1.68 0.03 1
24 3 3 ILE HG12 H 1.23 0.03 2
25 3 3 ILE HG13 H 1.51 0.03 2
26 3 3 ILE HG2 H 0.82 0.03 1
27 3 3 ILE HD1 H 0.89 0.03 1
28 3 3 ILE C C 182.1 0.1 1
29 3 3 ILE CA C 60.4 0.1 1
30 3 3 ILE CB C 40.4 0.1 1
31 3 3 ILE CG1 C 28.7 0.1 1
32 3 3 ILE CG2 C 17.4 0.1 1
33 3 3 ILE CD1 C 12.9 0.1 1
34 3 3 ILE N N 126.8 0.1 1
35 4 4 GLN H H 8.84 0.03 1
36 4 4 GLN HA H 4.62 0.03 1
37 4 4 GLN HB2 H 1.70 0.03 2
38 4 4 GLN HB3 H 1.31 0.03 2
39 4 4 GLN C C 180.6 0.1 1
40 4 4 GLN CA C 53.7 0.1 1
41 4 4 GLN CB C 29.6 0.1 1
42 4 4 GLN N N 128.37 0.1 1
43 5 5 ILE H H 8.76 0.03 1
44 5 5 ILE HA H 4.06 0.03 1
45 5 5 ILE HB H 1.54 0.03 1
46 5 5 ILE HG12 H 1.33 0.03 2
47 5 5 ILE HG13 H 0.96 0.03 2
48 5 5 ILE HG2 H 0.87 0.03 1
49 5 5 ILE HD1 H 0.75 0.03 1
50 5 5 ILE C C 181.6 0.1 1
51 5 5 ILE CA C 60.5 0.1 1
52 5 5 ILE CB C 39.9 0.1 1
53 5 5 ILE CG1 C 27.3 0.1 1
54 5 5 ILE CG2 C 16.9 0.1 1
55 5 5 ILE CD1 C 13.4 0.1 1
56 5 5 ILE N N 127.2 0.1 1
57 6 6 GLU H H 8.89 0.03 1
58 6 6 GLU HA H 3.68 0.03 1
59 6 6 GLU HB2 H 2.35 0.03 2
60 6 6 GLU HB3 H 2.28 0.03 2
61 6 6 GLU HG2 H 2.41 0.03 2
62 6 6 GLU C C 180.1 0.1 1
63 6 6 GLU CA C 58.3 0.1 1
64 6 6 GLU CB C 26.5 0.1 1
65 6 6 GLU CG C 36.1 0.1 1
66 6 6 GLU N N 123.5 0.1 1
67 7 7 GLU H H 8.27 0.03 1
68 7 7 GLU HA H 4.37 0.03 1
69 7 7 GLU HB2 H 2.08 0.03 2
70 7 7 GLU HB3 H 1.77 0.03 2
71 7 7 GLU HG2 H 2.07 0.03 2
72 7 7 GLU HG3 H 1.91 0.03 2
73 7 7 GLU C C 180.8 0.1 1
74 7 7 GLU CA C 56.3 0.1 1
75 7 7 GLU CB C 28.9 0.1 1
76 7 7 GLU N N 120.0 0.1 1
77 8 8 TYR H H 8.39 0.03 1
78 8 8 TYR HA H 4.76 0.03 1
79 8 8 TYR HB2 H 2.87 0.03 2
80 8 8 TYR HB3 H 2.64 0.03 2
81 8 8 TYR HD1 H 6.88 0.03 3
82 8 8 TYR HE1 H 6.86 0.03 3
83 8 8 TYR C C 182.4 0.1 1
84 8 8 TYR CA C 58.0 0.1 1
85 8 8 TYR CB C 40.4 0.1 1
86 8 8 TYR CD1 C 133.7 0.1 3
87 8 8 TYR CE1 C 118.3 0.1 3
88 8 8 TYR N N 118.7 0.1 1
89 9 9 PHE H H 9.68 0.03 1
90 9 9 PHE HA H 4.93 0.03 1
91 9 9 PHE HB2 H 2.37 0.03 2
92 9 9 PHE HB3 H 2.66 0.03 2
93 9 9 PHE HD1 H 7.12 0.03 3
94 9 9 PHE HE1 H 6.62 0.03 3
95 9 9 PHE C C 180.90 0.1 1
96 9 9 PHE CA C 56.72 0.1 1
97 9 9 PHE CB C 40.50 0.1 1
98 9 9 PHE CD1 C 131.24 0.1 3
99 9 9 PHE CE1 C 131.89 0.1 3
100 9 9 PHE N N 118.50 0.1 1
101 10 10 ILE H H 9.13 0.03 1
102 10 10 ILE HA H 3.94 0.03 1
103 10 10 ILE HB H 1.57 0.03 1
104 10 10 ILE HG12 H 1.24 0.03 2
105 10 10 ILE HG13 H 0.64 0.03 2
106 10 10 ILE HG2 H 0.77 0.03 1
107 10 10 ILE HD1 H 0.77 0.03 1
108 10 10 ILE C C 180.7 0.1 1
109 10 10 ILE CA C 60.7 0.1 1
110 10 10 ILE CB C 42.0 0.1 1
111 10 10 ILE CG1 C 29.1 0.1 2
112 10 10 ILE CG2 C 18.7 0.1 2
113 10 10 ILE CD1 C 15.7 0.1 1
114 10 10 ILE N N 121.9 0.1 1
115 11 11 GLY H H 8.62 0.03 1
116 11 11 GLY HA2 H 5.09 0.03 2
117 11 11 GLY HA3 H 3.66 0.03 2
118 11 11 GLY C C 182.5 0.1 1
119 11 11 GLY CA C 44.2 0.1 1
120 11 11 GLY N N 114.89 0.1 1
121 12 12 MET H H 8.96 0.03 1
122 12 12 MET HA H 5.22 0.03 1
123 12 12 MET HB2 H 1.75 0.03 2
124 12 12 MET HG2 H 2.23 0.03 2
125 12 12 MET HG3 H 2.31 0.03 2
126 12 12 MET C C 182.0 0.1 1
127 12 12 MET CA C 55.4 0.1 1
128 12 12 MET CB C 38.4 0.1 1
129 12 12 MET CG C 31.9 0.1 1
130 12 12 MET N N 120.4 0.1 1
131 13 13 ILE H H 8.82 0.03 1
132 13 13 ILE HA H 4.47 0.03 1
133 13 13 ILE HB H 1.70 0.03 1
134 13 13 ILE HG12 H 1.43 0.03 2
135 13 13 ILE HG13 H 1.16 0.03 2
136 13 13 ILE HG2 H 0.90 0.03 1
137 13 13 ILE HD1 H 0.90 0.03 1
138 13 13 ILE C C 181.6 0.1 1
139 13 13 ILE CA C 59.7 0.1 1
140 13 13 ILE CB C 39.6 0.1 1
141 13 13 ILE CG1 C 26.6 0.1 1
142 13 13 ILE CG2 C 16.9 0.1 1
143 13 13 ILE CD1 C 11.4 0.1 1
144 13 13 ILE N N 121.6 0.1 1
145 14 14 PHE H H 8.91 0.03 1
146 14 14 PHE HA H 5.30 0.03 1
147 14 14 PHE HB2 H 2.95 0.03 2
148 14 14 PHE HB3 H 2.77 0.03 2
149 14 14 PHE HD1 H 6.88 0.03 3
150 14 14 PHE HE1 H 7.30 0.03 3
151 14 14 PHE C C 179.51 0.1 1
152 14 14 PHE CA C 56.49 0.1 1
153 14 14 PHE CB C 42.54 0.1 1
154 14 14 PHE CD1 C 133.40 0.1 3
155 14 14 PHE CE1 C 131.36 0.1 3
156 14 14 PHE N N 126.22 0.1 1
157 15 15 LYS H H 9.20 0.03 1
158 15 15 LYS HA H 4.62 0.03 1
159 15 15 LYS HB2 H 1.82 0.03 2
160 15 15 LYS HB3 H 1.64 0.03 2
161 15 15 LYS HG2 H 1.41 0.03 2
162 15 15 LYS HD2 H 1.73 0.03 2
163 15 15 LYS HE2 H 2.99 0.03 2
164 15 15 LYS C C 178.4 0.1 1
165 15 15 LYS CA C 55.9 0.1 1
166 15 15 LYS CB C 33.7 0.1 1
167 15 15 LYS CG C 25.0 0.1 1
168 15 15 LYS CD C 29.5 0.1 1
169 15 15 LYS CE C 41.9 0.1 1
170 15 15 LYS N N 122.7 0.1 1
171 16 16 GLY H H 9.14 0.03 1
172 16 16 GLY HA2 H 4.06 0.03 2
173 16 16 GLY HA3 H 3.77 0.03 2
174 16 16 GLY C C 180.9 0.1 1
175 16 16 GLY CA C 47.2 0.1 1
176 16 16 GLY N N 118.0 0.1 1
177 17 17 ASN H H 8.91 0.03 1
178 17 17 ASN HA H 4.75 0.03 1
179 17 17 ASN HB2 H 2.96 0.03 2
180 17 17 ASN C C 181.1 0.1 1
181 17 17 ASN CA C 53.4 0.1 1
182 17 17 ASN CB C 38.2 0.1 1
183 17 17 ASN N N 122.3 0.1 1
184 18 18 GLN H H 7.97 0.03 1
185 18 18 GLN HA H 4.47 0.03 1
186 18 18 GLN HB2 H 2.18 0.03 2
187 18 18 GLN HB3 H 1.60 0.03 2
188 18 18 GLN HG2 H 2.32 0.03 2
189 18 18 GLN C C 181.3 0.1 1
190 18 18 GLN CA C 54.7 0.1 1
191 18 18 GLN CB C 30.9 0.1 1
192 18 18 GLN CG C 34.1 0.1 1
193 18 18 GLN N N 117.00 0.1 1
194 19 19 LEU H H 8.74 0.03 1
195 19 19 LEU HA H 3.84 0.03 1
196 19 19 LEU HB2 H 1.79 0.03 2
197 19 19 LEU HB3 H 1.43 0.03 2
198 19 19 LEU HG H 1.20 0.03 1
199 19 19 LEU HD1 H 0.34 0.03 1
200 19 19 LEU HD2 H 0.60 0.03 1
201 19 19 LEU C C 179.5 0.1 1
202 19 19 LEU CA C 56.2 0.1 1
203 19 19 LEU CB C 42.9 0.1 1
204 19 19 LEU CG C 26.2 0.1 1
205 19 19 LEU CD1 C 27.2 0.1 1
206 19 19 LEU CD2 C 22.5 0.1 1
207 19 19 LEU N N 128.3 0.1 1
208 20 20 VAL H H 8.58 0.03 1
209 20 20 VAL HA H 5.15 0.03 1
210 20 20 VAL HB H 2.42 0.03 1
211 20 20 VAL HG1 H 0.70 0.03 1
212 20 20 VAL HG2 H 0.98 0.03 1
213 20 20 VAL CA C 60.5 0.1 1
214 20 20 VAL CB C 33.7 0.1 1
215 20 20 VAL CG1 C 18.8 0.1 1
216 20 20 VAL CG2 C 21.4 0.1 1
217 20 20 VAL N N 116.1 0.1 1
218 21 21 ARG H H 7.45 0.03 1
219 21 21 ARG HA H 4.89 0.03 1
220 21 21 ARG HB2 H 2.04 0.03 2
221 21 21 ARG HB3 H 1.41 0.03 2
222 21 21 ARG HG2 H 1.94 0.03 2
223 21 21 ARG HG3 H 1.44 0.03 2
224 21 21 ARG HD2 H 3.26 0.03 2
225 21 21 ARG C C 182.3 0.1 1
226 21 21 ARG CA C 56.1 0.1 1
227 21 21 ARG CB C 33.5 0.1 1
228 21 21 ARG CG C 28.0 0.1 1
229 21 21 ARG CD C 43.4 0.1 1
230 21 21 ARG N N 122.2 0.1 1
231 22 22 ASN H H 9.21 0.03 1
232 22 22 ASN HA H 5.59 0.03 1
233 22 22 ASN HB2 H 2.80 0.03 2
234 22 22 ASN HB3 H 2.31 0.03 2
235 22 22 ASN C C 181.8 0.1 1
236 22 22 ASN CA C 53.2 0.1 1
237 22 22 ASN CB C 42.9 0.1 1
238 22 22 ASN N N 120.4 0.1 1
239 23 23 THR H H 8.28 0.03 1
240 23 23 THR HA H 4.82 0.03 1
241 23 23 THR HB H 4.22 0.03 1
242 23 23 THR HG2 H 1.21 . 1
243 23 23 THR CA C 60.1 0.1 1
244 23 23 THR CB C 71.2 0.1 1
245 23 23 THR CG2 C 20.2 0.1 1
246 23 23 THR N N 106.7 0.1 1
247 25 25 PRO HA H 4.3 0.03 1
248 25 25 PRO HB2 H 1.40 0.03 2
249 25 25 PRO HB3 H 0.81 0.03 2
250 25 25 PRO C C 180.7 0.1 1
251 25 25 PRO CA C 62.9 0.1 1
252 25 25 PRO CB C 30.1 0.1 1
253 26 26 LEU H H 9.05 0.03 1
254 26 26 LEU HA H 4.76 0.03 1
255 26 26 LEU HB2 H 1.62 0.03 2
256 26 26 LEU HG H 0.8 0.03 1
257 26 26 LEU C C 179.4 0.1 1
258 26 26 LEU CA C 53.2 0.1 1
259 26 26 LEU CB C 47.1 0.1 1
260 26 26 LEU CG C 26.5 0.1 1
261 27 27 ARG H H 9.18 0.03 1
262 27 27 ARG HA H 4.79 0.03 1
263 27 27 ARG HB2 H 2.35 0.03 2
264 27 27 ARG HB3 H 1.74 0.03 2
265 27 27 ARG HD2 H 3.14 0.03 2
266 27 27 ARG C C 177.5 0.1 1
267 27 27 ARG CA C 55.4 0.1 1
268 27 27 ARG CB C 30.8 0.1 1
269 27 27 ARG N N 118.3 0.1 1
270 28 28 ARG H H 9.37 0.03 1
271 28 28 ARG HA H 2.92 0.03 1
272 28 28 ARG HB2 H 1.80 0.03 2
273 28 28 ARG HB3 H 1.64 0.03 2
274 28 28 ARG HG2 H 1.05 0.03 2
275 28 28 ARG HG3 H 1.47 0.03 2
276 28 28 ARG HD2 H 3.08 0.03 2
277 28 28 ARG C C 178.4 0.1 1
278 28 28 ARG CA C 59.0 0.1 1
279 28 28 ARG CB C 29.7 0.1 1
280 28 28 ARG CG C 26.5 0.1 1
281 28 28 ARG CD C 42.4 0.1 1
282 28 28 ARG N N 124.0 0.1 1
283 29 29 GLU H H 9.14 0.03 1
284 29 29 GLU HA H 4.20 0.03 1
285 29 29 GLU HB2 H 2.09 0.03 2
286 29 29 GLU HG2 H 2.33 0.03 2
287 29 29 GLU C C 179.32 0.1 1
288 29 29 GLU CA C 58.15 0.1 1
289 29 29 GLU CB C 28.35 0.1 1
290 29 29 GLU CG C 36.11 0.1 1
291 29 29 GLU N N 113.6 0.1 1
292 30 30 GLU H H 7.73 0.03 1
293 30 30 GLU HA H 4.64 0.03 1
294 30 30 GLU HB2 H 2.44 0.03 2
295 30 30 GLU HB3 H 2.28 0.03 2
296 30 30 GLU C C 176.9 . 1
297 30 30 GLU CA C 56.9 . 1
298 30 30 GLU CB C 33.7 . 1
299 30 30 GLU N N 116.4 0.1 1
300 31 31 ILE H H 7.60 0.03 1
301 31 31 ILE HA H 4.26 0.03 1
302 31 31 ILE HB H 1.50 0.03 1
303 31 31 ILE HG12 H 0.97 0.03 2
304 31 31 ILE HG2 H -0.07 0.03 1
305 31 31 ILE HD1 H 0.90 0.03 1
306 31 31 ILE C C 180.3 0.1 1
307 31 31 ILE CA C 62.6 0.1 1
308 31 31 ILE CB C 37.3 0.1 1
309 31 31 ILE CG1 C 30.0 0.1 1
310 31 31 ILE CG2 C 16.5 0.1 1
311 31 31 ILE CD1 C 14.5 0.1 1
312 31 31 ILE N N 116.7 0.1 1
313 32 32 PHE H H 7.75 0.03 1
314 32 32 PHE HA H 5.06 0.03 1
315 32 32 PHE HB2 H 3.39 0.03 2
316 32 32 PHE HB3 H 2.85 0.03 2
317 32 32 PHE HD1 H 7.47 0.03 3
318 32 32 PHE HE1 H 7.20 0.03 3
319 32 32 PHE C C 179.0 0.1 1
320 32 32 PHE CA C 59.0 0.1 1
321 32 32 PHE CB C 37.0 0.1 1
322 32 32 PHE CD1 C 132.0 0.1 3
323 32 32 PHE CE1 C 131.4 0.1 3
324 32 32 PHE N N 119.2 0.1 1
325 33 33 ASN H H 7.81 0.03 1
326 33 33 ASN HA H 4.49 0.03 1
327 33 33 ASN HB2 H 2.72 0.03 2
328 33 33 ASN HB3 H 2.39 0.03 2
329 33 33 ASN C C 180.4 0.1 1
330 33 33 ASN CA C 54.3 0.1 1
331 33 33 ASN CB C 37.9 0.1 1
332 33 33 ASN N N 115.8 0.1 1
333 34 34 PHE H H 7.94 0.03 1
334 34 34 PHE HA H 4.56 0.03 1
335 34 34 PHE HB2 H 3.37 0.03 2
336 34 34 PHE HB3 H 2.79 0.03 2
337 34 34 PHE HD1 H 7.37 0.03 3
338 34 34 PHE CA C 59.4 0.1 1
339 34 34 PHE CB C 41.9 0.1 1
340 34 34 PHE CD1 C 133.4 0.1 3
341 34 34 PHE N N 116.0 0.1 1
342 35 35 MET H H 8.15 0.03 1
343 35 35 MET HA H 4.52 0.03 1
344 35 35 MET HB2 H 1.78 0.03 2
345 35 35 MET HG2 H 2.48 0.03 2
346 35 35 MET HG3 H 2.70 0.03 2
347 35 35 MET C C 171.2 0.1 1
348 35 35 MET CA C 55.4 0.1 1
349 35 35 MET CB C 35.8 0.1 1
350 35 35 MET CG C 31.8 0.1 1
351 35 35 MET N N 119.9 0.1 1
352 36 36 ASP H H 8.05 0.03 1
353 36 36 ASP HA H 5.03 0.03 1
354 36 36 ASP HB2 H 2.69 0.03 2
355 36 36 ASP C C 179.8 0.1 1
356 36 36 ASP CA C 52.9 0.1 1
357 36 36 ASP CB C 42.0 0.1 1
358 36 36 ASP N N 121.4 0.1 1
359 37 37 GLY H H 7.90 0.03 1
360 37 37 GLY HA2 H 4.18 0.03 2
361 37 37 GLY HA3 H 4.00 0.03 2
362 37 37 GLY C C 171.6 0.1 1
363 37 37 GLY CA C 44.6 0.1 1
364 37 37 GLY N N 107.7 0.1 1
365 38 38 GLU H H 8.25 0.03 1
366 38 38 GLU HA H 4.55 0.03 1
367 38 38 GLU HB2 H 2.03 0.03 2
368 38 38 GLU HB3 H 1.96 0.03 2
369 38 38 GLU HG2 H 2.26 0.03 2
370 38 38 GLU C C 179.7 0.1 1
371 38 38 GLU CA C 55.1 0.1 1
372 38 38 GLU CB C 31.4 0.1 1
373 38 38 GLU N N 117.9 0.1 1
374 39 39 VAL H H 8.71 0.03 1
375 39 39 VAL HA H 4.50 0.03 1
376 39 39 VAL HB H 2.17 0.03 1
377 39 39 VAL HG1 H 1.05 0.03 2
378 39 39 VAL HG2 H 1.17 0.03 2
379 39 39 VAL C C 178.9 0.1 1
380 39 39 VAL CA C 62.6 0.1 1
381 39 39 VAL CB C 31.1 0.1 1
382 39 39 VAL CG1 C 21.5 0.1 2
383 39 39 VAL CG2 C 21.2 0.1 2
384 39 39 VAL N N 123.9 0.1 1
385 40 40 VAL H H 8.74 0.03 1
386 40 40 VAL HA H 4.19 0.03 1
387 40 40 VAL HB H 2.11 0.03 1
388 40 40 VAL HG1 H 1.00 0.03 1
389 40 40 VAL HG2 H 1.16 0.03 1
390 40 40 VAL C C 179.8 0.1 1
391 40 40 VAL CA C 62.3 0.1 1
392 40 40 VAL CB C 32.7 0.1 1
393 40 40 VAL CG1 C 21.0 0.1 1
394 40 40 VAL CG2 C 21.5 0.1 1
395 40 40 VAL N N 129.6 0.1 1
396 41 41 SER H H 8.66 0.03 1
397 41 41 SER HA H 4.49 0.03 1
398 41 41 SER HB2 H 3.94 0.03 2
399 41 41 SER C C 181.5 0.1 1
400 41 41 SER CA C 59.4 0.1 1
401 41 41 SER CB C 63.7 0.1 1
402 41 41 SER N N 122.2 0.1 1
403 42 42 ASN H H 8.31 0.03 1
404 42 42 ASN HA H 5.15 0.03 1
405 42 42 ASN HB2 H 2.80 0.03 2
406 42 42 ASN HB3 H 2.70 0.03 2
407 42 42 ASN CA C 51.1 0.1 1
408 42 42 ASN CB C 38.4 0.1 1
409 42 42 ASN N N 118.9 . 1
410 43 43 PRO HA H 4.56 0.03 1
411 43 43 PRO HB2 H 2.14 0.03 2
412 43 43 PRO HB3 H 2.03 0.03 2
413 43 43 PRO C C 178.9 0.1 1
414 43 43 PRO CA C 62.3 0.1 1
415 43 43 PRO CB C 32.5 0.1 1
416 44 44 GLU H H 9.17 0.03 1
417 44 44 GLU HA H 4.21 0.03 1
418 44 44 GLU HB2 H 2.02 0.03 2
419 44 44 GLU HB3 H 1.50 0.03 2
420 44 44 GLU HG2 H 2.33 0.03 2
421 44 44 GLU C C 177.7 0.1 1
422 44 44 GLU CA C 56.1 0.1 1
423 44 44 GLU CB C 29.1 0.1 1
424 44 44 GLU CG C 35.9 0.1 1
425 44 44 GLU N N 120.7 0.1 1
426 45 45 ASP C C 177.2 0.1 1
427 45 45 ASP CA C 57.9 0.1 1
428 45 45 ASP CB C 40.6 0.1 1
429 45 45 ASP N N 123.6 0.1 1
430 46 46 GLU H H 8.98 0.03 1
431 46 46 GLU HA H 3.99 0.03 1
432 46 46 GLU HB2 H 1.79 0.03 2
433 46 46 GLU HG2 H 2.11 0.03 2
434 46 46 GLU CA C 59.3 0.1 1
435 46 46 GLU CB C 28.8 0.1 1
436 46 46 GLU CG C 35.3 0.1 1
437 46 46 GLU N N 116.9 0.1 1
438 47 47 HIS H H 6.72 0.03 1
439 47 47 HIS HA H 4.47 0.03 1
440 47 47 HIS HB2 H 3.80 0.03 2
441 47 47 HIS HB3 H 3.15 0.03 2
442 47 47 HIS HD2 H 5.78 0.03 3
443 47 47 HIS C C 178.0 0.1 1
444 47 47 HIS CA C 57.2 0.1 1
445 47 47 HIS CB C 31.0 0.1 1
446 47 47 HIS N N 117.1 0.1 1
447 48 48 LEU H H 8.10 0.03 1
448 48 48 LEU HA H 4.05 0.03 1
449 48 48 LEU HB2 H 1.92 0.03 2
450 48 48 LEU HB3 H 1.46 0.03 2
451 48 48 LEU HG H 1.61 0.03 1
452 48 48 LEU HD2 H 0.94 0.03 2
453 48 48 LEU C C 177.6 0.1 1
454 48 48 LEU CA C 58.3 0.1 1
455 48 48 LEU CB C 41.8 0.1 1
456 48 48 LEU CG C 26.7 0.1 1
457 48 48 LEU CD2 C 24.8 0.1 2
458 48 48 LEU N N 120.6 0.1 1
459 49 49 LYS H H 8.14 0.03 1
460 49 49 LYS HA H 4.08 0.03 1
461 49 49 LYS HB2 H 1.92 0.03 2
462 49 49 LYS HE2 H 2.96 0.03 2
463 49 49 LYS C C 176.4 0.1 1
464 49 49 LYS CA C 59.0 0.1 1
465 49 49 LYS CB C 31.9 0.1 1
466 49 49 LYS N N 116.9 0.1 1
467 50 50 VAL H H 7.36 0.03 1
468 50 50 VAL HA H 3.61 0.03 1
469 50 50 VAL HB H 2.47 0.03 1
470 50 50 VAL HG1 H 1.11 0.03 2
471 50 50 VAL HG2 H 1.40 0.03 2
472 50 50 VAL C C 178.7 0.1 1
473 50 50 VAL CA C 67.0 0.1 1
474 50 50 VAL CB C 31.2 0.1 1
475 50 50 VAL CG1 C 22.5 0.1 1
476 50 50 VAL CG2 C 23.0 0.1 1
477 50 50 VAL N N 118.1 0.1 1
478 51 51 ALA H H 7.90 0.03 1
479 51 51 ALA HA H 3.97 0.03 1
480 51 51 ALA HB H 1.51 0.03 1
481 51 51 ALA C C 177.4 0.1 1
482 51 51 ALA CA C 55.8 0.1 1
483 51 51 ALA CB C 17.8 0.1 1
484 51 51 ALA N N 122.1 0.1 1
485 52 52 GLU H H 8.55 0.03 1
486 52 52 GLU HA H 3.76 0.03 1
487 52 52 GLU HB2 H 2.22 0.03 2
488 52 52 GLU HB3 H 2.01 0.03 2
489 52 52 GLU C C 177.0 0.1 1
490 52 52 GLU CA C 60.5 0.1 1
491 52 52 GLU CB C 29.6 0.1 1
492 52 52 GLU N N 115.7 0.1 1
493 53 53 ILE H H 7.69 0.03 1
494 53 53 ILE HA H 3.63 0.03 1
495 53 53 ILE HB H 2.16 0.03 1
496 53 53 ILE HG12 H 1.81 0.03 2
497 53 53 ILE HG13 H 1.10 0.03 2
498 53 53 ILE HG2 H 0.90 0.03 1
499 53 53 ILE HD1 H 0.82 0.03 1
500 53 53 ILE C C 178.7 0.1 1
501 53 53 ILE CA C 65.2 0.1 1
502 53 53 ILE CB C 37.5 0.1 1
503 53 53 ILE CG1 C 30.5 0.1 1
504 53 53 ILE CG2 C 18.8 0.1 1
505 53 53 ILE CD1 C 13.2 0.1 1
506 53 53 ILE N N 120.7 0.1 1
507 54 54 ILE H H 8.20 0.03 1
508 54 54 ILE HA H 3.55 0.03 1
509 54 54 ILE HB H 1.95 0.03 1
510 54 54 ILE HG2 H 0.83 0.03 1
511 54 54 ILE HD1 H 0.78 0.03 1
512 54 54 ILE C C 178.3 0.1 1
513 54 54 ILE CA C 66.4 0.1 1
514 54 54 ILE CB C 37.1 0.1 1
515 54 54 ILE CG2 C 17.3 0.1 1
516 54 54 ILE CD1 C 13.9 0.1 1
517 54 54 ILE N N 122.1 0.1 1
518 55 55 LEU H H 8.00 0.03 1
519 55 55 LEU HA H 3.88 0.03 1
520 55 55 LEU HB2 H 2.06 0.03 2
521 55 55 LEU HB3 H 1.24 0.03 2
522 55 55 LEU HG H 1.50 0.03 1
523 55 55 LEU HD1 H 0.50 0.03 1
524 55 55 LEU HD2 H 0.83 0.03 1
525 55 55 LEU C C 177.7 0.1 1
526 55 55 LEU CA C 58.3 0.1 1
527 55 55 LEU CB C 41.9 0.1 1
528 55 55 LEU CG C 26.3 0.1 1
529 55 55 LEU CD1 C 24.4 0.1 1
530 55 55 LEU CD2 C 25.8 0.1 1
531 55 55 LEU N N 120.4 0.1 1
532 56 56 LYS H H 7.91 0.03 1
533 56 56 LYS HA H 4.08 0.03 1
534 56 56 LYS HB2 H 2.06 0.03 2
535 56 56 LYS HB3 H 1.51 0.03 2
536 56 56 LYS HE2 H 2.93 0.03 2
537 56 56 LYS C C 176.1 0.1 1
538 56 56 LYS CA C 60.2 0.1 1
539 56 56 LYS CB C 33.1 0.1 1
540 56 56 LYS N N 116.5 0.1 1
541 57 57 LEU H H 8.52 0.03 1
542 57 57 LEU HA H 4.11 0.03 1
543 57 57 LEU HB2 H 2.27 0.03 2
544 57 57 LEU HB3 H 1.48 0.03 2
545 57 57 LEU HD1 H 0.72 0.03 1
546 57 57 LEU HD2 H 0.86 0.03 1
547 57 57 LEU C C 176.0 0.1 1
548 57 57 LEU CA C 58.1 0.1 1
549 57 57 LEU CB C 43.4 0.1 1
550 57 57 LEU CG C 25.6 0.1 1
551 57 57 LEU CD1 C 26.5 0.1 1
552 57 57 LEU CD2 C 24.2 0.1 1
553 57 57 LEU N N 121.1 0.1 1
554 58 58 TYR H H 8.09 0.03 1
555 58 58 TYR HA H 4.02 0.03 1
556 58 58 TYR HB2 H 3.10 0.03 2
557 58 58 TYR HB3 H 2.68 0.03 2
558 58 58 TYR HD1 H 6.43 0.03 3
559 58 58 TYR HD2 H 6.28 0.03 3
560 58 58 TYR CA C 60.6 0.1 1
561 58 58 TYR CB C 38.8 0.1 1
562 58 58 TYR CD1 C 132.5 0.1 3
563 58 58 TYR CE1 C 118.8 0.1 3
564 58 58 TYR N N 122.8 0.1 1
565 59 59 PHE H H 7.23 0.03 1
566 59 59 PHE HA H 4.25 0.03 1
567 59 59 PHE HB2 H 3.48 0.03 2
568 59 59 PHE HB3 H 2.78 0.03 2
569 59 59 PHE HD1 H 7.40 0.03 3
570 59 59 PHE C C 180.6 0.1 1
571 59 59 PHE CD1 C 131.7 0.1 1
572 59 59 PHE N N 108.4 0.1 1
573 60 60 ALA H H 8.35 0.03 1
574 60 60 ALA HA H 4.50 0.03 1
575 60 60 ALA HB H 1.49 0.03 1
576 60 60 ALA C C 178.8 0.1 1
577 60 60 ALA CA C 52.5 0.1 1
578 60 60 ALA CB C 18.4 0.1 1
579 60 60 ALA N N 123.0 0.1 1
580 61 61 GLU H H 8.95 0.03 1
581 61 61 GLU HA H 4.34 0.03 1
582 61 61 GLU HB2 H 2.28 0.03 2
583 61 61 GLU HB3 H 1.77 0.03 2
584 61 61 GLU C C 180.5 0.1 1
585 61 61 GLU CA C 55.9 0.1 1
586 61 61 GLU CB C 31.0 0.1 1
587 61 61 GLU N N 114.4 0.1 1
588 62 62 ILE H H 7.43 0.03 1
589 62 62 ILE HA H 4.35 0.03 1
590 62 62 ILE HB H 1.58 0.03 1
591 62 62 ILE HG2 H 0.61 0.03 1
592 62 62 ILE HD1 H 0.80 0.03 1
593 62 62 ILE C C 172.2 0.1 1
594 62 62 ILE CA C 59.7 0.1 1
595 62 62 ILE CB C 41.8 0.1 1
596 62 62 ILE N N 116.0 0.1 1
597 63 63 ASP H H 7.91 0.03 1
598 63 63 ASP HA H 4.60 0.03 1
599 63 63 ASP HB2 H 2.53 0.03 2
600 63 63 ASP C C 179.0 0.1 1
601 63 63 ASP CA C 54.1 0.1 1
602 63 63 ASP CB C 43.1 0.1 1
603 63 63 ASP N N 123.8 0.1 1
604 64 64 ASP H H 9.36 0.03 1
605 64 64 ASP HA H 4.14 0.03 1
606 64 64 ASP HB2 H 3.02 0.03 2
607 64 64 ASP HB3 H 2.71 0.03 2
608 64 64 ASP C C 178.7 0.1 1
609 64 64 ASP CA C 57.8 0.1 1
610 64 64 ASP CB C 38.8 0.1 1
611 64 64 ASP N N 127.2 0.1 1
612 65 65 LYS H H 8.25 0.03 1
613 65 65 LYS HA H 3.98 0.03 1
614 65 65 LYS HB2 H 1.92 0.03 2
615 65 65 LYS CA C 59.4 0.1 1
616 65 65 LYS CB C 31.4 0.1 1
617 65 65 LYS N N 118.6 0.1 1
618 66 66 LYS H H 7.27 0.03 1
619 66 66 LYS HA H 4.17 0.03 1
620 66 66 LYS HB2 H 2.01 0.03 2
621 66 66 LYS HB3 H 1.51 0.03 2
622 66 66 LYS HD2 H 1.73 0.03 2
623 66 66 LYS HE2 H 3.00 0.03 2
624 66 66 LYS C C 176.1 0.1 1
625 66 66 LYS CA C 57.6 0.1 1
626 66 66 LYS CB C 31.7 0.1 1
627 66 66 LYS CD C 29.2 0.1 1
628 66 66 LYS CE C 42.1 0.1 1
629 66 66 LYS N N 117.6 0.1 1
630 67 67 VAL H H 7.70 0.03 1
631 67 67 VAL HA H 3.59 0.03 1
632 67 67 VAL HB H 2.28 0.03 1
633 67 67 VAL HG1 H 1.05 0.03 1
634 67 67 VAL HG2 H 0.98 0.03 1
635 67 67 VAL C C 178.1 0.1 1
636 67 67 VAL CA C 67.3 0.1 1
637 67 67 VAL CB C 30.7 0.1 1
638 67 67 VAL CG1 C 19.0 0.1 1
639 67 67 VAL CG2 C 20.4 0.1 1
640 67 67 VAL N N 117.9 0.1 1
641 68 68 ARG H H 7.88 0.03 1
642 68 68 ARG HA H 4.09 0.03 1
643 68 68 ARG HB2 H 2.10 0.03 2
644 68 68 ARG HB3 H 2.33 0.03 2
645 68 68 ARG C C 179.2 0.1 1
646 68 68 ARG CA C 60.3 0.1 1
647 68 68 ARG CB C 30.0 0.1 1
648 68 68 ARG N N 116.2 0.1 1
649 69 69 GLU H H 7.35 0.03 1
650 69 69 GLU HA H 4.46 0.03 1
651 69 69 GLU HB2 H 2.22 0.03 1
652 69 69 GLU C C 178.3 0.1 1
653 69 69 GLU CA C 57.2 0.1 1
654 69 69 GLU CB C 30.2 0.1 1
655 69 69 GLU N N 115.1 0.1 1
656 70 70 LEU H H 7.70 0.03 1
657 70 70 LEU HA H 4.42 0.03 1
658 70 70 LEU HB2 H 1.91 0.03 2
659 70 70 LEU HB3 H 1.63 0.03 2
660 70 70 LEU HG H 1.84 0.03 1
661 70 70 LEU HD1 H 0.88 0.03 2
662 70 70 LEU C C 178.1 0.1 1
663 70 70 LEU CA C 56.1 0.1 1
664 70 70 LEU CB C 44.7 0.1 1
665 70 70 LEU CG C 26.1 0.1 1
666 70 70 LEU CD1 C 24.6 0.1 2
667 70 70 LEU N N 119.2 0.1 1
668 71 71 ILE H H 7.82 0.03 1
669 71 71 ILE HA H 4.62 0.03 1
670 71 71 ILE HB H 2.03 0.03 1
671 71 71 ILE HG12 H 1.52 0.03 2
672 71 71 ILE HG13 H 1.36 0.03 2
673 71 71 ILE HG2 H 0.98 0.03 1
674 71 71 ILE HD1 H 0.83 0.03 1
675 71 71 ILE C C 181.0 0.1 1
676 71 71 ILE CA C 59.4 0.1 1
677 71 71 ILE CB C 40.2 0.1 1
678 71 71 ILE CG1 C 26.2 0.1 1
679 71 71 ILE CG2 C 17.4 0.1 1
680 71 71 ILE CD1 C 14.6 0.1 1
681 71 71 ILE N N 114.9 0.1 1
682 72 72 SER H H 8.52 0.03 1
683 72 72 SER HA H 4.77 0.03 1
684 72 72 SER HB2 H 3.98 0.03 2
685 72 72 SER HB3 H 3.94 0.03 2
686 72 72 SER C C 181.9 0.1 1
687 72 72 SER CA C 57.2 0.1 1
688 72 72 SER CB C 63.3 0.1 1
689 72 72 SER N N 118.2 0.1 1
690 73 73 TYR H H 8.52 0.03 1
691 73 73 TYR HA H 4.77 0.03 1
692 73 73 TYR HB2 H 3.98 0.03 2
693 73 73 TYR HB3 H 3.94 0.03 2
694 73 73 TYR HD1 H 6.90 0.03 3
695 73 73 TYR HE1 H 6.90 0.03 3
696 73 73 TYR C C 171.0 0.1 1
697 73 73 TYR CA C 55.4 0.1 1
698 73 73 TYR CB C 41.4 0.1 1
699 73 73 TYR CD1 C 133.7 0.1 3
700 73 73 TYR CE1 C 118.3 0.1 3
701 73 73 TYR N N 124.8 0.1 1
702 74 74 LYS H H 8.40 0.03 1
703 74 74 LYS HA H 4.39 0.03 1
704 74 74 LYS HB2 H 1.57 0.03 2
705 74 74 LYS HB3 H 1.63 0.03 2
706 74 74 LYS HG2 H 1.32 0.03 2
707 74 74 LYS HG3 H 1.13 0.03 2
708 74 74 LYS HE2 H 2.99 0.03 2
709 74 74 LYS HE3 H 2.92 0.03 2
710 74 74 LYS C C 181.5 0.1 1
711 74 74 LYS CA C 55.0 0.1 1
712 74 74 LYS CB C 35.9 0.1 1
713 74 74 LYS CG C 24.6 0.1 1
714 74 74 LYS N N 120.6 0.1 1
715 75 75 LEU H H 8.86 0.03 1
716 75 75 LEU HA H 4.63 0.03 1
717 75 75 LEU HB2 H 1.77 0.03 2
718 75 75 LEU HB3 H 1.62 0.03 2
719 75 75 LEU HD2 H 0.97 0.03 1
720 75 75 LEU C C 180.0 0.1 1
721 75 75 LEU CA C 53.6 0.1 1
722 75 75 LEU CB C 43.2 0.1 1
723 75 75 LEU CG C 24.8 0.1 1
724 75 75 LEU CD2 C 24.8 0.1 2
725 75 75 LEU N N 126.9 0.1 1
726 76 76 GLU H H 9.14 0.03 1
727 76 76 GLU HA H 4.75 0.03 1
728 76 76 GLU HB2 H 2.10 0.03 2
729 76 76 GLU HB3 H 1.93 0.03 2
730 76 76 GLU C C 180.8 0.1 1
731 76 76 GLU CA C 55.2 0.1 1
732 76 76 GLU CB C 28.8 0.1 1
733 76 76 GLU N N 130.3 0.1 1
734 77 77 VAL H H 7.41 0.03 1
735 77 77 VAL HA H 5.02 0.03 1
736 77 77 VAL HB H 2.22 0.03 1
737 77 77 VAL HG1 H 0.71 0.03 1
738 77 77 VAL HG2 H 1.02 0.03 1
739 77 77 VAL CA C 57.6 0.1 1
740 77 77 VAL CB C 33.7 0.1 1
741 77 77 VAL CG1 C 17.9 0.1 1
742 77 77 VAL CG2 C 23.1 0.1 1
743 77 77 VAL N N 113.2 0.1 1
744 78 78 PRO HA H 4.65 0.03 1
745 78 78 PRO HB2 H 2.64 0.03 2
746 78 78 PRO HB3 H 2.21 0.03 2
747 78 78 PRO C C 179.3 0.1 1
748 78 78 PRO CA C 62.3 0.1 1
749 78 78 PRO CB C 32.7 0.1 1
750 79 79 GLU H H 8.67 0.03 1
751 79 79 GLU HA H 3.99 0.03 1
752 79 79 GLU HB2 H 2.22 0.03 2
753 79 79 GLU HB3 H 2.09 0.03 2
754 79 79 GLU HG2 H 2.40 0.03 2
755 79 79 GLU HG3 H 2.36 0.03 2
756 79 79 GLU C C 177.3 0.1 1
757 79 79 GLU CA C 60.5 0.1 1
758 79 79 GLU CB C 29.7 0.1 1
759 79 79 GLU CG C 35.9 0.1 1
760 79 79 GLU N N 121.2 0.1 1
761 80 80 PHE H H 9.19 0.03 1
762 80 80 PHE HA H 4.19 0.03 1
763 80 80 PHE HB2 H 3.39 0.03 2
764 80 80 PHE HB3 H 3.07 0.03 2
765 80 80 PHE HD1 H 7.30 0.03 3
766 80 80 PHE C C 179.1 0.1 1
767 80 80 PHE CA C 62.3 0.1 1
768 80? 80 PHE CB C 38.4 0.1 .
769 80 80 PHE CD1 C 132.0 0.1 3
770 80 80 PHE N N 118.7 0.1 1
771 81 81 THR H H 6.94 0.03 1
772 81 81 THR HA H 4.13 0.03 1
773 81 81 THR HB H 3.52 0.03 1
774 81 81 THR HG2 H 1.22 0.03 1
775 81 81 THR C C 180.1 0.1 1
776 81 81 THR CA C 66.8 0.1 1
777 81 81 THR CB C 68.5 0.1 1
778 81 81 THR CG2 C 20.9 0.1 1
779 81 81 THR N N 113.9 0.1 1
780 82 82 LYS H H 8.30 0.03 1
781 82 82 LYS HA H 3.54 0.03 1
782 82 82 LYS HB2 H 2.06 0.03 2
783 82 82 LYS HB3 H 1.72 0.03 2
784 82 82 LYS HD2 H 1.36 0.03 2
785 82 82 LYS HE2 H 3.07 0.03 2
786 82 82 LYS C C 178.6 0.1 1
787 82 82 LYS CD C 25.2 0.1 1
788 82 82 LYS CE C 42.1 0.1 1
789 82 82 LYS N N 122.4 0.1 1
790 83 83 LYS H H 7.76 0.03 1
791 83 83 LYS HA H 3.99 0.03 1
792 83 83 LYS HB2 H 1.92 0.03 2
793 83 83 LYS HB3 H 1.70 0.03 2
794 83 83 LYS HE2 H 3.01 0.03 2
795 83 83 LYS C C 175.9 0.1 1
796 83 83 LYS CA C 59.4 0.1 1
797 83 83 LYS CB C 32.0 0.1 1
798 83 83 LYS CE C 42.0 0.1 1
799 83 83 LYS N N 117.2 0.1 1
800 84 84 VAL H H 7.30 0.03 1
801 84 84 VAL HA H 3.30 0.03 1
802 84 84 VAL HB H 2.01 0.03 1
803 84 84 VAL HG1 H 0.83 0.03 1
804 84 84 VAL HG2 H 0.41 0.03 1
805 84 84 VAL C C 177.6 0.1 1
806 84 84 VAL CA C 66.4 0.1 1
807 84 84 VAL CB C 31.8 0.1 1
808 84 84 VAL CG1 C 23.1 0.1 1
809 84 84 VAL CG2 C 21.7 0.1 1
810 84 84 VAL N N 117.2 0.1 1
811 85 85 LEU H H 8.56 0.03 1
812 85 85 LEU HA H 3.85 0.03 1
813 85 85 LEU HB2 H 1.85 0.03 2
814 85 85 LEU HB3 H 1.40 0.03 2
815 85 85 LEU HG H 0.88 0.03 1
816 85 85 LEU HD1 H 0.68 0.03 1
817 85 85 LEU C C 177.4 0.1 1
818 85 85 LEU CA C 57.6 0.1 1
819 85 85 LEU CB C 39.5 0.1 1
820 85 85 LEU CG C 26.9 0.1 1
821 85 85 LEU CD1 C 20.6 0.1 1
822 85 85 LEU N N 118.1 0.1 1
823 86 86 ASP H H 8.63 0.03 1
824 86 86 ASP HA H 4.39 0.03 1
825 86 86 ASP HB2 H 2.76 0.03 2
826 86 86 ASP HB3 H 2.56 0.03 2
827 86 86 ASP C C 177.3 0.1 1
828 86 86 ASP CA C 57.0 0.1 1
829 86 86 ASP CB C 40.1 0.1 1
830 86 86 ASP N N 120.1 0.1 1
831 87 87 ILE H H 7.05 0.03 1
832 87 87 ILE HA H 3.92 0.03 1
833 87 87 ILE HB H 2.00 0.03 1
834 87 87 ILE HG12 H 1.72 0.03 2
835 87 87 ILE HG13 H 1.18 0.03 2
836 87 87 ILE HG2 H 0.78 0.03 1
837 87 87 ILE HD1 H 0.85 0.03 1
838 87 87 ILE CA C 63.7 0.1 1
839 87 87 ILE CB C 37.6 0.1 1
840 87 87 ILE CG1 C 28.8 0.1 1
841 87 87 ILE CG2 C 17.0 0.1 1
842 87 87 ILE CD1 C 13.6 0.1 1
843 87 87 ILE N N 119.5 0.1 1
844 88 88 VAL H H 7.71 0.03 1
845 88 88 VAL HA H 3.30 0.03 1
846 88 88 VAL HB H 1.97 0.03 1
847 88 88 VAL HG1 H 0.53 0.03 2
848 88 88 VAL HG2 H 0.90 0.03 2
849 88 88 VAL C C 179.0 0.1 1
850 88 88 VAL CA C 65.4 0.1 1
851 88 88 VAL CB C 30.8 0.1 1
852 88 88 VAL CG1 C 21.9 0.1 1
853 88 88 VAL CG2 C 23.6 0.1 1
854 88 88 VAL N N 121.1 0.1 1
855 89 89 LYS H H 7.88 0.03 1
856 89 89 LYS HA H 3.83 0.03 1
857 89 89 LYS HB2 H 1.82 0.03 2
858 89 89 LYS HE2 H 3.06 0.03 2
859 89 89 LYS C C 180.9 0.1 1
860 89 89 LYS CA C 58.7 0.1 1
861 89 89 LYS CB C 32.83 0.1 1
862 90 90 ASP H H 6.92 0.03 1
863 90 90 ASP HA H 4.75 0.03 1
864 90 90 ASP HB2 H 2.90 0.03 2
865 90 90 ASP HB3 H 2.59 0.03 2
866 90 90 ASP CA C 54.1 0.1 1
867 90 90 ASP CB C 41.4 0.1 1
868 90 90 ASP N N 115.1 0.1 1
869 91 91 ILE H H 7.85 0.03 1
870 91 91 ILE HA H 3.79 0.03 1
871 91 91 ILE HB H 1.67 0.03 1
872 91 91 ILE HG2 H 0.76 0.03 1
873 91 91 ILE HD1 H 0.67 0.03 1
874 91 91 ILE CA C 63.0 0.1 1
875 91 91 ILE CB C 37.5 0.1 1
876 91 91 ILE CG2 C 18.0 0.1 1
877 91 91 ILE CD1 C 16.2 0.1 1
878 91 91 ILE N N 123.5 0.1 1
879 92 92 GLU H H 8.77 0.03 1
880 92 92 GLU HA H 3.99 0.03 1
881 92 92 GLU HB2 H 1.90 0.03 2
882 92 92 GLU HB3 H 1.89 0.03 2
883 92 92 GLU HG2 H 2.43 0.03 2
884 92 92 GLU C C 181.3 0.1 1
885 92 92 GLU CA C 57.2 0.1 1
886 92 92 GLU CB C 30.9 0.1 1
887 92 92 GLU CG C 36.7 0.1 1
888 92 92 GLU N N 112.1 0.1 1
889 93 93 PHE H H 8.57 0.03 1
890 93 93 PHE HA H 3.85 0.03 1
891 93 93 PHE HB2 H 3.20 0.03 2
892 93 93 PHE HB3 H 3.05 0.03 2
893 93 93 PHE HD1 H 7.41 0.03 3
894 93 93 PHE HE1 H 7.41 0.03 3
895 93 93 PHE C C 179.2 0.1 1
896 93 93 PHE CA C 59.0 0.1 1
897 93 93 PHE CD1 C 132.0 0.1 3
898 93 93 PHE CE1 C 132.7 0.1 3
899 93 93 PHE N N 122.5 0.1 1
900 94 94 GLY H H 7.58 0.03 1
901 94 94 GLY HA2 H 4.42 0.03 2
902 94 94 GLY HA3 H 3.33 0.03 2
903 94 94 GLY C C 182.4 0.1 1
904 94 94 GLY CA C 45.7 0.1 1
905 94 94 GLY N N 115.1 0.1 1
906 95 95 LYS H H 8.31 0.03 1
907 95 95 LYS HA H 4.75 0.03 1
908 95 95 LYS HB2 H 1.97 0.03 2
909 95 95 LYS HE2 H 3.01 0.03 2
910 95 95 LYS C C 180.7 0.1 1
911 95 95 LYS CA C 53.7 0.1 1
912 95 95 LYS CB C 33.9 0.1 1
913 95 95 LYS N N 120.0 0.1 1
914 96 96 THR H H 7.38 0.03 1
915 96 96 THR HA H 5.37 0.03 1
916 96 96 THR HB H 4.22 0.03 1
917 96 96 THR HG2 H 0.96 0.03 1
918 96? 96 THR CA C 59.0 0.1 .
919 96 96 THR CB C 64.6 0.1 1
920 96 96 THR CG2 C 21.2 0.1 1
921 96 96 THR N N 104.7 0.1 1
922 97 97 LEU H H 8.58 0.03 1
923 97 97 LEU HA H 4.76 0.03 1
924 97 97 LEU HB2 H 1.68 0.03 2
925 97 97 LEU HB3 H 1.41 0.03 2
926 97 97 LEU HD1 H 0.80 0.03 2
927 97 97 LEU HD2 H 0.97 0.03 2
928 97 97 LEU C C 179.9 0.1 1
929 97 97 LEU CA C 53.6 0.1 1
930 97 97 LEU CB C 47.9 0.1 1
931 97 97 LEU CD1 C 24.7 0.1 2
932 97 97 LEU CD2 C 23.5 0.1 2
933 97 97 LEU N N 119.6 0.1 1
934 98 98 THR H H 8.56 0.03 1
935 98 98 THR HA H 5.82 0.03 1
936 98 98 THR HB H 4.90 0.03 1
937 98 98 THR HG2 H 1.00 0.03 1
938 98 98 THR C C 177.7 0.1 1
939 98 98 THR CA C 59.0 0.1 1
940 98 98 THR CB C 72.5 0.1 1
941 98 98 THR CG2 C 21.4 0.1 1
942 98 98 THR N N 108.6 0.1 1
943 99 99 TYR H H 7.84 0.03 1
944 99 99 TYR HA H 3.87 0.03 1
945 99 99 TYR HB2 H 3.32 0.03 2
946 99 99 TYR HB3 H 3.04 0.03 2
947 99 99 TYR HD1 H 7.06 0.03 3
948 99 99 TYR HE1 H 6.91 0.03 3
949 99 99 TYR C C 176.4 0.1 1
950 99 99 TYR CA C 61.9 0.1 1
951 99 99 TYR CB C 37.9 0.1 1
952 99 99 TYR CD1 C 133.4 0.3 3
953 99 99 TYR CE1 C 118.2 0.3 3
954 99 99 TYR N N 117.6 0.1 1
955 100 100 GLY H H 8.79 0.03 1
956 100 100 GLY HA2 H 4.12 0.03 2
957 100 100 GLY HA3 H 3.81 0.03 2
958 100 100 GLY C C 179.8 0.1 1
959 100 100 GLY CA C 46.7 0.1 1
960 100 100 GLY N N 105.9 0.1 1
961 101 101 ASP H H 8.16 0.03 1
962 101 101 ASP HA H 4.45 0.03 1
963 101 101 ASP HB2 H 3.06 0.03 2
964 101 101 ASP HB3 H 2.68 0.03 2
965 101 101 ASP C C 176.3 0.1 1
966 101 101 ASP CA C 57.6 0.1 1
967 101 101 ASP CB C 41.3 0.1 1
968 101 101 ASP N N 123.3 0.1 1
969 102 102 ILE H H 7.53 0.03 1
970 102 102 ILE HA H 3.55 0.03 1
971 102 102 ILE HB H 1.98 0.03 1
972 102 102 ILE HG12 H 1.89 0.03 2
973 102 102 ILE HG13 H 0.86 0.03 2
974 102 102 ILE HG2 H 0.91 0.03 1
975 102 102 ILE HD1 H 0.71 0.03 1
976 102 102 ILE C C 178.8 0.1 1
977 102 102 ILE CA C 65.5 0.1 1
978 102 102 ILE CB C 37.4 0.1 1
979 102 102 ILE CG1 C 28.7 0.1 1
980 102 102 ILE CG2 C 17.9 0.1 1
981 102 102 ILE CD1 C 14.2 0.1 1
982 102 102 ILE N N 119.2 0.1 1
983 103 103 ALA H H 8.76 0.03 1
984 103 103 ALA HA H 3.71 0.03 1
985 103 103 ALA HB H 1.41 0.03 1
986 103 103 ALA C C 176.1 0.1 1
987 103 103 ALA CA C 54.7 0.1 1
988 103 103 ALA CB C 17.5 0.1 1
989 103 103 ALA N N 121.8 0.1 1
990 104 104 LYS H H 7.96 0.03 1
991 104 104 LYS HA H 4.24 0.03 1
992 104 104 LYS HB2 H 1.98 0.03 2
993 104 104 LYS C C 175.9 0.1 1
994 104 104 LYS CA C 58.9 0.1 1
995 104 104 LYS CB C 32.2 0.1 1
996 104 104 LYS N N 116.4 0.1 1
997 105 105 LYS H H 7.35 0.03 1
998 105 105 LYS HA H 4.12 0.03 1
999 105 105 LYS HB2 H 1.98 0.03 2
1000 105 105 LYS C C 177.8 0.1 1
1001 105 105 LYS CA C 58.8 0.1 1
1002 105 105 LYS CB C 32.5 0.1 1
1003 105 105 LYS N N 119.01 0.1 1
1004 106 106 LEU H H 7.50 0.03 1
1005 106 106 LEU HA H 4.48 0.03 1
1006 106 106 LEU HB2 H 1.80 0.03 2
1007 106 106 LEU HB3 H 1.57 0.03 2
1008 106 106 LEU HG H 1.55 0.03 1
1009 106 106 LEU HD1 H 0.79 0.03 1
1010 106 106 LEU HD2 H 0.60 0.03 1
1011 106 106 LEU C C 180.1 0.1 1
1012 106 106 LEU CA C 53.6 0.1 1
1013 106 106 LEU CB C 43.0 0.1 1
1014 106 106 LEU CG C 26.1 0.1 1
1015 106 106 LEU CD1 C 27.2 0.1 1
1016 106 106 LEU CD2 C 22.6 0.1 1
1017 106 106 LEU N N 114.7 0.1 1
1018 107 107 ASN H H 7.84 0.03 1
1019 107 107 ASN HA H 4.47 0.03 1
1020 107 107 ASN HB2 H 3.19 0.03 2
1021 107 107 ASN HB3 H 2.77 0.03 2
1022 107 107 ASN C C 181.9 0.1 1
1023 107 107 ASN CA C 53.6 0.1 1
1024 107 107 ASN CB C 45.6 0.1 1
1025 107 107 ASN N N 117.8 0.1 1
1026 108 108 THR H H 8.31 0.03 1
1027 108 108 THR HA H 4.88 0.03 1
1028 108 108 THR HB H 3.99 0.03 1
1029 108 108 THR HG2 H 1.34 0.03 1
1030 108 108 THR CA C 58.7 0.1 1
1031 108 108 THR CB C 69.1 0.1 1
1032 108 108 THR CG2 C 19.5 0.1 1
1033 108 108 THR N N 113.5 0.1 1
1034 109 109 SER H H 8.74 0.03 1
1035 109 109 SER HA H 5.21 0.03 1
1036 109 109 SER HB2 H 3.94 0.03 2
1037 109 109 SER HB3 H 3.95 0.03 2
1038 109 109 SER CA C 54.7 0.1 1
1039 109 109 SER CB C 64.8 0.1 1
1040 109 109 SER N N 116.5 0.1 1
1041 110 110 PRO HA H 4.07 0.03 1
1042 110 110 PRO HB2 H 2.14 0.03 2
1043 110 110 PRO C C 177.0 0.1 1
1044 110 110 PRO CA C 65.9 0.1 1
1045 110 110 PRO CB C 31.7 0.1 1
1046 111 111 ARG H H 7.97 0.03 1
1047 111 111 ARG HA H 3.98 0.03 1
1048 111 111 ARG HB2 H 1.92 0.03 2
1049 111 111 ARG HB3 H 1.73 0.03 2
1050 111 111 ARG HG2 H 1.61 0.03 2
1051 111 111 ARG HG3 H 1.54 0.03 2
1052 111 111 ARG HD2 H 3.19 0.03 2
1053 111 111 ARG C C 177.4 0.1 1
1054 111 111 ARG CA C 58.9 0.1 1
1055 111 111 ARG CB C 29.7 0.1 1
1056 111 111 ARG CG C 26.7 0.1 1
1057 111 111 ARG CD C 43.1 0.1 1
1058 111 111 ARG N N 117.6 0.1 1
1059 112 112 ALA H H 7.86 0.03 1
1060 112 112 ALA HA H 4.13 0.03 1
1061 112 112 ALA HB H 1.53 0.03 1
1062 112 112 ALA C C 174.1 0.1 1
1063 112 112 ALA CA C 55.4 0.1 1
1064 112 112 ALA CB C 17.7 0.1 1
1065 112 112 ALA N N 122.8 0.1 1
1066 113 113 VAL H H 7.64 0.03 1
1067 113 113 VAL HA H 3.69 0.03 1
1068 113 113 VAL HB H 2.55 0.03 1
1069 113 113 VAL HG1 H 1.12 0.03 2
1070 113 113 VAL HG2 H 1.40 0.03 2
1071 113 113 VAL C C 178.0 0.1 1
1072 113 113 VAL CA C 67.1 0.1 1
1073 113 113 VAL CB C 31.5 0.1 1
1074 113 113 VAL CG1 C 22.5 0.1 2
1075 113 113 VAL CG2 C 23.0 0.1 2
1076 113 113 VAL N N 117.7 0.1 1
1077 114 114 GLY H H 8.34 0.03 1
1078 114 114 GLY HA2 H 3.82 0.03 2
1079 114 114 GLY HA3 H 3.4 0.03 2
1080 114 114 GLY C C 179.1 0.1 1
1081 114 114 GLY CA C 47.6 0.1 1
1082 114 114 GLY N N 105.8 0.1 1
1083 115 115 MET H H 8.16 0.03 1
1084 115 115 MET HA H 4.19 0.03 1
1085 115 115 MET HB2 H 2.62 0.03 2
1086 115 115 MET HB3 H 2.18 0.03 2
1087 115 115 MET HG2 H 2.72 0.03 2
1088 115 115 MET C C 178.0 0.1 1
1089 115 115 MET CA C 58.3 0.1 1
1090 115 115 MET CB C 33.1 0.1 1
1091 115 115 MET N N 120.1 0.1 1
1092 116 116 ALA H H 7.73 0.03 1
1093 116 116 ALA HA H 4.28 0.03 1
1094 116 116 ALA HB H 1.66 0.03 1
1095 116 116 ALA CA C 54.7 0.1 1
1096 116 116 ALA CB C 19.1 0.1 1
1097 116 116 ALA N N 121.7 0.1 1
1098 117 117 LEU H H 8.09 0.03 1
1099 117 117 LEU HA H 3.96 0.03 1
1100 117 117 LEU HB2 H 2.10 0.03 2
1101 117 117 LEU HB3 H 1.82 0.03 2
1102 117 117 LEU HG H 1.07 0.03 1
1103 117 117 LEU HD1 H 0.87 0.03 1
1104 117 117 LEU CA C 57.6 0.1 1
1105 117 117 LEU CB C 41.3 0.1 1
1106 117 117 LEU CD1 C 24.3 0.1 1
1107 117 117 LEU N N 115.0 0.1 1
1108 118 118 LYS H H 7.64 0.03 1
1109 118 118 LYS HA H 4.05 0.03 1
1110 118 118 LYS HB2 H 1.96 0.03 2
1111 118 118 LYS HG2 H 1.42 0.03 2
1112 118 118 LYS HD2 H 1.70 0.03 2
1113 118 118 LYS HD3 H 1.59 0.03 2
1114 118 118 LYS HE2 H 2.93 0.03 2
1115 118 118 LYS CA C 59.0 0.03 1
1116 118 118 LYS CB C 32.0 0.03 1
1117 118 118 LYS CE C 41.8 0.03 2
1118 118 118 LYS N N 118.9 0.03 1
1119 119 119 ARG H H 7.30 0.03 1
1120 119 119 ARG HA H 4.41 0.03 1
1121 119 119 ARG HB2 H 2.19 0.03 2
1122 119 119 ARG HB3 H 2.00 0.03 2
1123 119 119 ARG HG2 H 1.83 0.03 2
1124 119 119 ARG HG3 H 1.70 0.03 2
1125 119 119 ARG HD2 H 3.27 0.03 2
1126 119 119 ARG C C 179.7 0.1 1
1127 119 119 ARG CA C 54.7 0.1 1
1128 119 119 ARG CB C 29.8 0.1 1
1129 119 119 ARG CG C 27.2 0.1 1
1130 119 119 ARG CD C 43.3 0.1 1
1131 119 119 ARG N N 115.2 0.1 1
1132 120 120 ASN H H 7.27 0.03 1
1133 120 120 ASN HA H 4.50 0.03 1
1134 120 120 ASN HB2 H 3.16 0.03 2
1135 120 120 ASN HB3 H 2.77 0.03 2
1136 120 120 ASN CA C 51.1 0.1 1
1137 120 120 ASN CB C 37.0 0.1 1
1138 120 120 ASN N N 118.2 0.1 1
1139 121 121 PRO HA H 4.65 0.03 1
1140 121 121 PRO HB2 H 2.32 0.03 2
1141 121 121 PRO HB3 H 2.56 0.03 2
1142 121 121 PRO CA C 63.5 0.1 1
1143 121 121 PRO CB C 32.1 0.1 1
1144 122 122 LEU H H 7.03 0.03 1
1145 122 122 LEU HA H 5.42 0.03 1
1146 122 122 LEU HB2 H 1.34 0.03 2
1147 122 122 LEU HG H 0.73 0.03 1
1148 122 122 LEU HD1 H 0.67 0.03 2
1149 122 122 LEU CA C 51.3 0.1 1
1150 122 122 LEU CB C 43.3 0.1 1
1151 122 122 LEU CG C 28.6 0.1 1
1152 122 122 LEU CD1 C 24.0 0.1 2
1153 122 122 LEU N N 119.47 0.1 1
1154 123 123 PRO HA H 4.65 0.03 1
1155 123 123 PRO HB2 H 2.16 0.03 2
1156 123 123 PRO CA C 64.5 0.1 1
1157 123 123 PRO CB C 31.0 0.1 1
1158 124 124 LEU H H 8.22 0.03 1
1159 124 124 LEU HA H 3.64 0.03 1
1160 124 124 LEU HD1 H 0.78 0.03 2
1161 124 124 LEU CA C 60.7 0.1 1
1162 124 124 LEU CB C 40.1 0.1 1
1163 124 124 LEU CD1 C 22.9 0.1 2
1164 124 124 LEU N N 115.1 0.1 1
1165 125 125 ILE H H 8.18 0.03 1
1166 125 125 ILE HA H 3.19 0.03 1
1167 125 125 ILE HB H 1.52 0.03 1
1168 125 125 ILE HG12 H 1.28 0.03 2
1169 125 125 ILE HG13 H 0.73 0.03 2
1170 125 125 ILE HG2 H 0.30 0.03 1
1171 125 125 ILE HD1 H 0.50 0.03 1
1172 125 125 ILE C C 180.3 0.1 1
1173 125 125 ILE CA C 65.0 0.1 1
1174 125 125 ILE CB C 37.5 0.1 1
1175 125 125 ILE CG1 C 29.3 0.1 1
1176 125 125 ILE CG2 C 16.5 0.1 1
1177 125 125 ILE CD1 C 12.4 0.1 1
1178 125 125 ILE N N 122.1 0.1 1
1179 126 126 ILE H H 8.31 0.03 1
1180 126 126 ILE HA H 4.45 0.03 1
1181 126 126 ILE HB H 2.08 0.03 1
1182 126 126 ILE HG12 H 1.07 0.03 2
1183 126 126 ILE HG2 H 0.75 0.03 1
1184 126 126 ILE HD1 H 0.83 0.03 1
1185 126 126 ILE CA C 63.4 0.1 1
1186 126 126 ILE CG1 C 28.0 0.1 1
1187 126 126 ILE CG2 C 17.5 0.1 1
1188 126 126 ILE CD1 C 12.9 0.1 1
1189 126 126 ILE N N 116.3 0.1 1
1190 127 127 PRO HA H 4.60 0.03 1
1191 127 127 PRO HB2 H 1.67 0.03 2
1192 127 127 PRO CA C 63.4 0.1 1
1193 127 127 PRO CB C 28.0 0.1 1
1194 128 128 CYS H H 9.39 0.03 1
1195 128 128 CYS HA H 4.10 0.03 1
1196 128 128 CYS HB2 H 3.48 0.03 2
1197 128 128 CYS HB3 H 2.74 0.03 2
1198 128 128 CYS C C 179.3 0.1 1
1199 128 128 CYS CA C 61.2 0.1 1
1200 128 128 CYS CB C 30.2 0.1 1
1201 128 128 CYS N N 126.2 0.1 1
1202 129 129 HIS H H 8.10 0.03 1
1203 129 129 HIS HA H 4.22 0.03 1
1204 129 129 HIS HB2 H 2.77 0.03 2
1205 129 129 HIS HB3 H 2.36 0.03 2
1206 129 129 HIS HE1 H 8.49 0.03 1
1207 129 129 HIS C C 182.8 0.1 1
1208 129 129 HIS CA C 57.2 0.1 1
1209 129 129 HIS CB C 29.3 0.1 1
1210 129 129 HIS N N 118.9 0.1 1
1211 130 130 ARG H H 7.07 0.03 1
1212 130 130 ARG HA H 4.06 0.03 1
1213 130 130 ARG HB2 H 1.32 0.03 2
1214 130 130 ARG CA C 56.7 0.1 1
1215 130 130 ARG CB C 30.1 0.1 1
1216 130 130 ARG N N 114.6 0.1 1
1217 131 131 VAL H H 6.84 0.03 1
1218 131 131 VAL HA H 4.75 0.03 1
1219 131 131 VAL HB H 1.78 0.03 1
1220 131 131 VAL HG1 H 0.07 0.03 1
1221 131 131 VAL HG2 H 0.56 0.03 1
1222 131 131 VAL C C 180.5 0.1 1
1223 131 131 VAL CA C 60.1 0.1 1
1224 131 131 VAL CB C 30.7 0.1 1
1225 131 131 VAL CG1 C 21.7 0.1 1
1226 131 131 VAL CG2 C 22.4 0.1 1
1227 131 131 VAL N N 117.5 0.1 1
1228 132 132 VAL H H 8.47 0.03 1
1229 132 132 VAL HA H 4.51 0.03 1
1230 132 132 VAL HB H 2.46 0.03 1
1231 132 132 VAL HG1 H 0.71 0.03 1
1232 132 132 VAL HG2 H 0.87 0.03 1
1233 132 132 VAL C C 182.3 0.1 1
1234 132 132 VAL CA C 58.7 0.1 1
1235 132 132 VAL CB C 34.3 0.1 1
1236 132 132 VAL CG1 C 17.2 0.1 1
1237 132 132 VAL CG2 C 21.3 0.1 1
1238 132 132 VAL N N 119.3 0.1 1
1239 133 133 ALA H H 7.33 0.03 1
1240 133 133 ALA HA H 5.47 0.03 1
1241 133 133 ALA HB H 1.66 0.03 1
1242 133 133 ALA C C 178.3 0.1 1
1243 133 133 ALA CA C 50.0 0.1 1
1244 133 133 ALA CB C 17.5 0.1 1
1245 133 133 ALA N N 117.9 0.1 1
1246 134 134 LYS H H 8.35 0.03 1
1247 134 134 LYS HA H 4.05 0.03 1
1248 134 134 LYS HB2 H 2.02 0.03 2
1249 134 134 LYS HB3 H 1.88 0.03 2
1250 134 134 LYS HE2 H 3.07 0.03 2
1251 134 134 LYS C C 178.3 0.1 1
1252 134 134 LYS CA C 59.2 0.1 1
1253 134 134 LYS CB C 32.2 0.1 1
1254 134 134 LYS CE C 41.7 0.1 2
1255 134 134 LYS N N 119.5 0.1 1
1256 135 135 ASN H H 8.26 0.03 1
1257 135 135 ASN HA H 5.00 0.03 1
1258 135 135 ASN HB2 H 2.97 0.03 2
1259 135 135 ASN HB3 H 2.82 0.03 2
1260 135 135 ASN C C 181.4 0.1 1
1261 135 135 ASN CA C 57.7 0.1 1
1262 135 135 ASN CB C 41.5 0.1 1
1263 135 135 ASN N N 112.6 0.1 1
1264 136 136 SER H H 7.37 0.03 1
1265 136 136 SER HA H 4.68 0.03 1
1266 136 136 SER HB2 H 4.19 0.03 2
1267 136 136 SER HB3 H 3.99 0.03 2
1268 136 136 SER C C 182.2 0.1 1
1269 136 136 SER CA C 57.7 0.1 1
1270 136 136 SER CB C 64.6 0.1 1
1271 136 136 SER N N 111.8 0.1 1
1272 137 137 LEU H H 8.70 0.03 1
1273 137 137 LEU HA H 4.30 0.03 1
1274 137 137 LEU HB2 H 1.86 0.03 2
1275 137 137 LEU HB3 H 1.52 0.03 2
1276 137 137 LEU HD1 H 0.89 0.03 2
1277 137 137 LEU HD2 H 0.94 0.03 2
1278 137 137 LEU C C 177.8 0.1 1
1279 137 137 LEU CA C 56.5 0.1 1
1280 137 137 LEU CB C 43.5 0.1 1
1281 137 137 LEU CD1 C 23.7 0.1 2
1282 137 137 LEU CD2 C 25.3 0.1 2
1283 137 137 LEU N N 118.5 0.1 1
1284 138 138 GLY H H 8.33 0.03 1
1285 138 138 GLY HA2 H 4.41 0.03 2
1286 138 138 GLY HA3 H 3.90 0.03 2
1287 138 138 GLY C C 170.9 0.1 1
1288 138 138 GLY CA C 45.3 0.1 1
1289 138 138 GLY N N 106.7 0.1 1
1290 139 139 GLY H H 7.84 0.03 1
1291 139 139 GLY HA2 H 4.64 0.03 2
1292 139 139 GLY HA3 H 3.80 0.03 2
1293 139 139 GLY CA C 44.1 0.1 1
1294 139 139 GLY N N 108.4 0.1 1
1295 140 140 TYR H H 8.59 0.03 1
1296 140 140 TYR HA H 4.66 0.03 1
1297 140 140 TYR CA C 57.6 0.1 1
1298 140 140 TYR CB C 39.7 0.1 1
1299 140 140 TYR N N 117.13 0.1 1
1300 141 141 SER HA H 4.017 0.03 1
1301 141 141 SER HB2 H 3.592 0.03 2
1302 141 141 SER HB3 H 3.357 0.03 2
1303 141 141 SER C C 181.0 0.1 1
1304 141 141 SER CA C 60.9 0.1 1
1305 141 141 SER CB C 61.9 0.1 1
1306 142 142 TYR H H 5.62 0.03 1
1307 142 142 TYR HA H 4.33 0.03 1
1308 142 142 TYR HB2 H 3.17 0.03 2
1309 142 142 TYR HB3 H 2.38 0.03 2
1310 142 142 TYR HD1 H 6.14 0.03 3
1311 142 142 TYR HE1 H 6.31 0.03 3
1312 142 142 TYR C C 181.6 0.1 1
1313 142 142 TYR CA C 57.9 0.1 1
1314 142 142 TYR CB C 39.2 0.1 1
1315 142 142 TYR CD1 C 133.7 0.1 3
1316 142 142 TYR CE1 C 118.3 0.1 3
1317 142 142 TYR N N 113.8 0.1 1
1318 143 143 GLY H H 7.65 0.03 1
1319 143 143 GLY HA2 H 4.86 0.03 2
1320 143 143 GLY HA3 H 4.08 0.03 2
1321 143 143 GLY C C 180.5 0.1 1
1322 143 143 GLY CA C 44.2 0.1 1
1323 143 143 GLY N N 106.6 0.1 1
1324 144 144 LEU H H 9.11 0.03 1
1325 144 144 LEU HA H 4.10 0.03 1
1326 144 144 LEU HB2 H 1.93 0.03 2
1327 144 144 LEU HB3 H 1.75 0.03 2
1328 144 144 LEU HG H 1.91 0.03 1
1329 144 144 LEU HD1 H 0.95 0.03 2
1330 144 144 LEU HD2 H 1.06 0.03 2
1331 144 144 LEU C C 177.5 0.1 1
1332 144 144 LEU CA C 58.1 0.1 1
1333 144 144 LEU CB C 41.7 0.1 1
1334 144 144 LEU CG C 27.2 0.1 1
1335 144 144 LEU CD1 C 24.0 0.1 2
1336 144 144 LEU CD2 C 24.5 0.1 2
1337 144 144 LEU N N 123.4 0.1 1
1338 145 145 ASP H H 9.17 0.03 1
1339 145 145 ASP HA H 4.30 0.03 1
1340 145 145 ASP HB2 H 2.85 0.03 2
1341 145 145 ASP HB3 H 2.68 0.03 2
1342 145 145 ASP CA C 56.9 0.1 1
1343 145 145 ASP CB C 38.6 0.1 1
1344 145 145 ASP N N 116.8 0.1 1
1345 146 146 LYS H H 7.52 0.03 1
1346 146 146 LYS HA H 4.29 0.03 1
1347 146 146 LYS HB2 H 2.27 0.03 2
1348 146 146 LYS HB3 H 1.97 0.03 2
1349 146 146 LYS C C 178.7 0.1 1
1350 146 146 LYS CA C 57.6 0.1 1
1351 146 146 LYS CB C 31.4 0.1 1
1352 146 146 LYS N N 119.2 0.1 1
1353 147 147 LYS H H 7.23 0.03 1
1354 147 147 LYS HA H 3.23 0.03 1
1355 147 147 LYS HB2 H 1.83 0.03 2
1356 147 147 LYS HB3 H 1.36 0.03 2
1357 147 147 LYS C C 178.5 0.1 1
1358 147 147 LYS CA C 59.9 0.1 1
1359 147 147 LYS CB C 34.0 0.1 1
1360 147 147 LYS N N 119.4 0.1 1
1361 148 148 LYS H H 8.18 0.03 1
1362 148 148 LYS HA H 3.75 0.03 1
1363 148 148 LYS HB2 H 1.87 0.03 2
1364 148 148 LYS HD2 H 1.71 0.03 2
1365 148 148 LYS HE2 H 2.99 0.03 2
1366 148 148 LYS C C 178.2 0.1 1
1367 148 148 LYS CA C 59.4 0.1 1
1368 148 148 LYS CB C 33.0 0.1 1
1369 148 148 LYS CD C 29.4 0.1 1
1370 148 148 LYS N N 115.1 0.1 1
1371 149 149 PHE H H 7.48 0.03 1
1372 149 149 PHE HA H 4.09 0.03 1
1373 149 149 PHE HB2 H 3.30 0.03 2
1374 149 149 PHE HB3 H 3.19 0.03 2
1375 149 149 PHE HD1 H 6.83 0.03 3
1376 149 149 PHE HE1 H 6.73 0.03 3
1377 149 149 PHE CA C 61.1 0.1 1
1378 149 149 PHE CB C 39.2 0.1 1
1379 149 149 PHE CD1 C 131.7 0.1 3
1380 149 149 PHE CE1 C 131.4 0.1 3
1381 149 149 PHE N N 118.2 0.1 1
1382 150 150 ILE H H 7.86 0.03 1
1383 150 150 ILE HA H 3.27 0.03 1
1384 150 150 ILE HB H 1.15 0.03 1
1385 150 150 ILE HG12 H 1.84 0.03 2
1386 150 150 ILE HG13 H 0.90 0.03 2
1387 150 150 ILE HG2 H 0.24 0.03 1
1388 150 150 ILE HD1 H 0.65 0.03 1
1389 150 150 ILE C C 176.9 0.1 1
1390 150 150 ILE CA C 65.0 0.1 1
1391 150 150 ILE CB C 39.7 0.1 1
1392 150 150 ILE CG1 C 28.0 0.1 1
1393 150 150 ILE CG2 C 18.4 0.1 1
1394 150 150 ILE CD1 C 15.2 0.1 1
1395 150 150 ILE N N 119.0 0.1 1
1396 151 151 LEU H H 7.93 0.03 1
1397 151 151 LEU HA H 3.72 0.03 1
1398 151 151 LEU HB2 H 1.80 0.03 2
1399 151 151 LEU HB3 H 1.27 0.03 2
1400 151 151 LEU HD2 H 0.79 0.03 2
1401 151 151 LEU C C 175.1 0.1 1
1402 151 151 LEU CD2 C 22.9 0.1 2
1403 151 151 LEU N N 116.8 0.1 1
1404 152 152 GLU H H 8.28 0.03 1
1405 152 152 GLU HA H 3.96 0.03 1
1406 152 152 GLU HB2 H 2.07 0.03 2
1407 152 152 GLU HB3 H 1.90 0.03 2
1408 152 152 GLU CA C 59.0 0.1 1
1409 152 152 GLU CB C 29.2 0.1 1
1410 152 152 GLU N N 119.1 0.1 1
1411 153 153 ARG H H 7.77 0.03 1
1412 153 153 ARG HA H 3.82 0.03 1
1413 153 153 ARG HB2 H 1.73 0.03 2
1414 153 153 ARG HB3 H 1.58 0.03 2
1415 153 153 ARG C C 176.6 0.1 1
1416 153 153 ARG CA C 57.8 0.1 1
1417 153 153 ARG CB C 28.8 0.1 1
1418 153 153 ARG N N 119.2 0.1 1
1419 154 154 GLU H H 8.19 0.03 1
1420 154 154 GLU HA H 3.69 0.03 1
1421 154 154 GLU HB2 H 1.70 0.03 2
1422 154 154 GLU C C 178.1 0.03 1
1423 154 154 GLU CA C 59.8 0.03 1
1424 154 154 GLU CB C 28.7 0.03 1
1425 154 154 GLU N N 118.6 0.1 1
1426 155 155 ARG H H 7.55 0.03 1
1427 155 155 ARG HA H 4.06 0.03 1
1428 155 155 ARG HB2 H 1.93 0.03 2
1429 155 155 ARG CA C 59.0 0.1 1
1430 155 155 ARG CB C 29.8 0.1 1
1431 155 155 ARG N N 117.1 0.1 1
1432 156 156 LEU H H 7.92 0.03 1
1433 156 156 LEU HA H 4.15 0.03 1
1434 156 156 LEU HB2 H 1.75 0.03 2
1435 156 156 LEU HB3 H 1.58 0.03 2
1436 156 156 LEU HD1 H 0.87 0.03 2
1437 156 156 LEU HD2 H 0.88 0.03 2
1438 156 156 LEU CD1 C 23.2 0.1 2
1439 156 156 LEU CD2 C 24.4 0.1 2
1440 156 156 LEU N N 118.0 0.1 1
1441 157 157 ASN H H 7.97 0.03 1
1442 157 157 ASN HA H 4.88 0.03 1
1443 157 157 ASN HB2 H 3.20 0.03 2
1444 157 157 ASN HB3 H 3.03 0.03 2
1445 157 157 ASN CA C 53.63 0.1 1
1446 157 157 ASN CB C 38.72 0.1 1
1447 157 157 ASN N N 116.24 0.1 1
1448 158 158 MET H H 7.86 0.03 1
1449 158 158 MET HA H 4.88 0.03 1
1450 158 158 MET HB2 H 3.20 0.03 2
1451 158 158 MET HB3 H 3.03 0.03 2
1452 158 158 MET CA C 56.5 0.1 1
1453 158 158 MET CB C 32.3 0.1 1
1454 158 158 MET N N 120.1 0.1 1
1455 159 159 VAL H H 8.01 0.03 1
1456 159 159 VAL HA H 4.24 0.03 1
1457 159 159 VAL HB H 2.11 0.03 1
1458 159 159 VAL HG2 H 0.91 0.03 2
1459 159 159 VAL CA C 62.2 0.1 1
1460 159 159 VAL CB C 32.7 0.1 1
1461 159 159 VAL CG2 C 20.9 0.1 2
1462 159 159 VAL N N 120.1 0.1 1
1463 160 160 SER H H 7.86 0.03 1
1464 160 160 SER HA H 4.32 0.03 1
1465 160 160 SER HB2 H 3.88 0.03 1
1466 160 160 SER CA C 59.8 0.1 1
1467 160 160 SER CB C 65.2 0.1 1
stop_
save_
########################
# Coupling constants #
########################
save_coupling_constants_set_1
_Saveframe_category coupling_constants
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Spectrometer_frequency_1H 500
_Mol_system_component_name 'Methylated-DNA--protein-cysteine methyltransferase'
_Text_data_format .
_Text_data .
loop_
_Coupling_constant_ID
_Coupling_constant_code
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_name
_Coupling_constant_value
_Coupling_constant_min_value
_Coupling_constant_max_value
_Coupling_constant_value_error
1 3JHNHA 2 ILE H 2 ILE HA 8.1 . . 0.4
2 3JHNHA 3 ILE H 3 ILE HA 7.5 . . 0.4
3 3JHNHA 4 GLN H 4 GLN HA 8.5 . . 0.4
4 3JHNHA 5 ILE H 5 ILE HA 7.5 . . 0.4
5 3JHNHA 6 GLU H 6 GLU HA 7.1 . . 0.4
6 3JHNHA 8 TYR H 8 TYR HA 8.0 . . 0.4
7 3JHNHA 12 MET H 12 MET HA 6.5 . . 0.4
8 3JHNHA 13 ILE H 13 ILE HA 9.0 . . 0.5
9 3JHNHA 14 PHE H 14 PHE HA 9.1 . . 0.5
10 3JHNHA 15 LYS H 15 LYS HA 9.0 . . 0.5
11 3JHNHA 17 ASN H 17 ASN HA 7.9 . . 0.4
12 3JHNHA 18 GLN H 18 GLN HA 8.4 . . 0.4
13 3JHNHA 19 LEU H 19 LEU HA 4.5 . . 0.3
14 3JHNHA 20 VAL H 20 VAL HA 7.5 . . 0.4
15 3JHNHA 21 ARG H 21 ARG HA 5.8 . . 0.4
16 3JHNHA 22 ASN H 22 ASN HA 6.3 . . 0.4
17 3JHNHA 23 THR H 23 THR HA 7.9 . . 0.4
18 3JHNHA 26 LEU H 26 LEU HA 8.7 . . 0.5
19 3JHNHA 27 ARG H 27 ARG HA 6.3 . . 0.4
20 3JHNHA 29 GLU H 29 GLU HA 4.2 . . 0.3
21 3JHNHA 30 GLU H 30 GLU HA 9.6 . . 0.5
22 3JHNHA 33 ASN H 33 ASN HA 7.4 . . 0.4
23 3JHNHA 34 PHE H 34 PHE HA 7.0 . . 0.4
24 3JHNHA 35 MET H 35 MET HA 4.9 . . 0.3
25 3JHNHA 36 ASP H 36 ASP HA 8.3 . . 0.4
26 3JHNHA 38 GLU H 38 GLU HA 7.3 . . 0.4
27 3JHNHA 39 VAL H 39 VAL HA 5.9 . . 0.4
28 3JHNHA 41 SER H 41 SER HA 6.4 . . 0.4
29 3JHNHA 42 ASN H 42 ASN HA 6.7 . . 0.4
30 3JHNHA 44 GLU H 44 GLU HA 4.1 . . 0.4
31 3JHNHA 46 GLU H 46 GLU HA 3.3 . . 0.4
32 3JHNHA 48 LEU H 48 LEU HA 3.9 . . 0.4
33 3JHNHA 49 LYS H 49 LYS HA 3.0 . . 0.4
34 3JHNHA 50 VAL H 50 VAL HA 6.1 . . 0.4
35 3JHNHA 51 ALA H 51 ALA HA 3.4 . . 0.4
36 3JHNHA 52 GLU H 52 GLU HA 3.9 . . 0.4
37 3JHNHA 53 ILE H 53 ILE HA 5.0 . . 0.4
38 3JHNHA 54 ILE H 54 ILE HA 3.7 . . 0.4
39 3JHNHA 55 LEU H 55 LEU HA 3.3 . . 0.4
40 3JHNHA 56 LYS H 56 LYS HA 3.7 . . 0.4
41 3JHNHA 57 LEU H 57 LEU HA 4.3 . . 0.4
42 3JHNHA 58 TYR H 58 TYR HA 4.7 . . 0.4
43 3JHNHA 59 PHE H 59 PHE HA 7.5 . . 0.4
44 3JHNHA 60 ALA H 60 ALA HA 5.8 . . 0.4
45 3JHNHA 65 LYS H 65 LYS HA 5.4 . . 0.4
46 3JHNHA 66 LYS H 66 LYS HA 6.7 . . 0.4
47 3JHNHA 67 VAL H 67 VAL HA 3.7 . . 0.4
48 3JHNHA 70 LEU H 70 LEU HA 6.4 . . 0.4
49 3JHNHA 71 ILE H 71 ILE HA 8.5 . . 0.4
50 3JHNHA 73 TYR H 73 TYR HA 7.6 . . 0.4
51 3JHNHA 74 LYS H 74 LYS HA 8.4 . . 0.4
52 3JHNHA 75 LEU H 75 LEU HA 8.5 . . 0.4
53 3JHNHA 77 VAL H 77 VAL HA 8.2 . . 0.4
54 3JHNHA 80 PHE H 80 PHE HA 3.7 . . 0.4
55 3JHNHA 81 THR H 81 THR HA 4.6 . . 0.4
56 3JHNHA 82 LYS H 82 LYS HA 4.3 . . 0.4
57 3JHNHA 83 LYS H 83 LYS HA 3.9 . . 0.4
58 3JHNHA 85 LEU H 85 LEU HA 4.2 . . 0.4
59 3JHNHA 86 ASP H 86 ASP HA 4.0 . . 0.4
60 3JHNHA 87 ILE H 87 ILE HA 6.3 . . 0.4
61 3JHNHA 89 LYS H 89 LYS HA 2.8 . . 0.4
62 3JHNHA 90 ASP H 90 ASP HA 9.4 . . 0.4
63 3JHNHA 91 ILE H 91 ILE HA 6.1 . . 0.4
64 3JHNHA 95 LYS H 95 LYS HA 9.8 . . 0.4
65 3JHNHA 96 THR H 96 THR HA 7.5 . . 0.4
66 3JHNHA 97 LEU H 97 LEU HA 7.7 . . 0.4
67 3JHNHA 98 THR H 98 THR HA 8.5 . . 0.4
68 3JHNHA 101 ASP H 101 ASP HA 4.3 . . 0.4
69 3JHNHA 102 ILE H 102 ILE HA 5.5 . . 0.4
70 3JHNHA 104 LYS H 104 LYS HA 3.6 . . 0.4
71 3JHNHA 105 LYS H 105 LYS HA 5.5 . . 0.4
72 3JHNHA 106 LEU H 106 LEU HA 7.9 . . 0.4
73 3JHNHA 107 ASN H 107 ASN HA 5.6 . . 0.4
74 3JHNHA 108 THR H 108 THR HA 9.0 . . 0.4
75 3JHNHA 109 SER H 109 SER HA 8.0 . . 0.4
76 3JHNHA 111 ARG H 111 ARG HA 6.2 . . 0.4
77 3JHNHA 112 ALA H 112 ALA HA 5.1 . . 0.4
78 3JHNHA 113 VAL H 113 VAL HA 5.0 . . 0.4
79 3JHNHA 115 MET H 115 MET HA 3.5 . . 0.4
80 3JHNHA 116 ALA H 116 ALA HA 4.4 . . 0.4
81 3JHNHA 117 LEU H 117 LEU HA 3.4 . . 0.4
82 3JHNHA 118 LYS H 118 LYS HA 5.0 . . 0.4
83 3JHNHA 119 ARG H 119 ARG HA 8.9 . . 0.4
84 3JHNHA 120 ASN H 120 ASN HA 3.3 . . 0.4
85 3JHNHA 125 ILE H 125 ILE HA 3.7 . . 0.4
86 3JHNHA 126 ILE H 126 ILE HA 7.1 . . 0.4
87 3JHNHA 128 CYS H 128 CYS HA 3.4 . . 0.4
88 3JHNHA 129 HIS H 129 HIS HA 4.5 . . 0.4
89 3JHNHA 130 ARG H 130 ARG HA 6.7 . . 0.4
90 3JHNHA 132 VAL H 132 VAL HA 8.9 . . 0.4
91 3JHNHA 133 ALA H 133 ALA HA 7.3 . . 0.4
92 3JHNHA 134 LYS H 134 LYS HA 2.8 . . 0.4
93 3JHNHA 136 SER H 136 SER HA 5.3 . . 0.4
94 3JHNHA 142 TYR H 142 TYR HA 8.4 . . 0.4
95 3JHNHA 145 ASP H 145 ASP HA 4.7 . . 0.4
96 3JHNHA 146 LYS H 146 LYS HA 5.3 . . 0.4
97 3JHNHA 147 LYS H 147 LYS HA 4.0 . . 0.4
98 3JHNHA 148 LYS H 148 LYS HA 4.6 . . 0.4
99 3JHNHA 149 PHE H 149 PHE HA 3.3 . . 0.4
100 3JHNHA 153 ARG H 153 ARG HA 3.9 . . 0.4
101 3JHNHA 155 ARG H 155 ARG HA 3.5 . . 0.4
stop_
save_