data_19056
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C, 15N backbone and side chain NMR resonance assignments of the N-terminal NEAr iron Transporter (NEAT 1) domain of the IsdB hemoglobin receptor of Staphylococcus aureus
;
_BMRB_accession_number 19056
_BMRB_flat_file_name bmr19056.str
_Entry_type original
_Submission_date 2013-02-26
_Accession_date 2013-02-26
_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 Fonner Brittany A. .
2 Tripet Brian P. .
3 Lui Mengyao . .
4 Lei Benfang . .
5 Copie Valerie . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 620
"13C chemical shifts" 419
"15N chemical shifts" 132
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2014-05-05 update BMRB 'update entry citation'
2013-05-30 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title '1H, 13C, 15N backbone and side chain NMR resonance assignments of the N-terminal NEAr iron transporter domain 1 (NEAT 1) of the hemoglobin receptor IsdB of Staphylococcus aureus.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 23686822
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Fonner Brittany A. .
2 Tripet Brian P. .
3 Lui Mengyao . .
4 Zhu Hui . .
5 Lei Benfang . .
6 Copie Valerie . .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_name_full 'Biomolecular NMR assignments'
_Journal_volume 8
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 201
_Page_last 205
_Year 2014
_Details .
loop_
_Keyword
'bacterial heme aquisition pathway'
'Iron surface determinant (Isd) proteins'
'IsdB protein'
'NEAr Transporter (NEAT) domains'
'Staphylococcus aureus'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'IsdB N1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'IsdB N1' $IsdB_N1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_IsdB_N1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common IsdB_N1
_Molecular_mass 19075
_Mol_thiol_state 'not present'
loop_
_Biological_function
'hemoglobin binding'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 163
_Mol_residue_sequence
;
MAHHHHHHVDDDDKMLNQEL
REAIKNPAIKDKDHSAPNSR
PIDFEMKKKDGTQQFYHYAS
SVKPARVIFTDSKPEIELGL
QSGQFWRKFEVYEGDKKLPI
KLVSYDTVKDYAYIRFSVSN
GTKAVKIVSSTHFNNKEEKY
DYTLMEFAQPIYNSADKFKT
EED
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 110 MET 2 111 ALA 3 112 HIS 4 113 HIS 5 114 HIS
6 115 HIS 7 116 HIS 8 117 HIS 9 118 VAL 10 119 ASP
11 120 ASP 12 121 ASP 13 122 ASP 14 123 LYS 15 124 MET
16 125 LEU 17 126 ASN 18 127 GLN 19 128 GLU 20 129 LEU
21 130 ARG 22 131 GLU 23 132 ALA 24 133 ILE 25 134 LYS
26 135 ASN 27 136 PRO 28 137 ALA 29 138 ILE 30 139 LYS
31 140 ASP 32 141 LYS 33 142 ASP 34 143 HIS 35 144 SER
36 145 ALA 37 146 PRO 38 147 ASN 39 148 SER 40 149 ARG
41 150 PRO 42 151 ILE 43 152 ASP 44 153 PHE 45 154 GLU
46 155 MET 47 156 LYS 48 157 LYS 49 158 LYS 50 159 ASP
51 160 GLY 52 161 THR 53 162 GLN 54 163 GLN 55 164 PHE
56 165 TYR 57 166 HIS 58 167 TYR 59 168 ALA 60 169 SER
61 170 SER 62 171 VAL 63 172 LYS 64 173 PRO 65 174 ALA
66 175 ARG 67 176 VAL 68 177 ILE 69 178 PHE 70 179 THR
71 180 ASP 72 181 SER 73 182 LYS 74 183 PRO 75 184 GLU
76 185 ILE 77 186 GLU 78 187 LEU 79 188 GLY 80 189 LEU
81 190 GLN 82 191 SER 83 192 GLY 84 193 GLN 85 194 PHE
86 195 TRP 87 196 ARG 88 197 LYS 89 198 PHE 90 199 GLU
91 200 VAL 92 201 TYR 93 202 GLU 94 203 GLY 95 204 ASP
96 205 LYS 97 206 LYS 98 207 LEU 99 208 PRO 100 209 ILE
101 210 LYS 102 211 LEU 103 212 VAL 104 213 SER 105 214 TYR
106 215 ASP 107 216 THR 108 217 VAL 109 218 LYS 110 219 ASP
111 220 TYR 112 221 ALA 113 222 TYR 114 223 ILE 115 224 ARG
116 225 PHE 117 226 SER 118 227 VAL 119 228 SER 120 229 ASN
121 230 GLY 122 231 THR 123 232 LYS 124 233 ALA 125 234 VAL
126 235 LYS 127 236 ILE 128 237 VAL 129 238 SER 130 239 SER
131 240 THR 132 241 HIS 133 242 PHE 134 243 ASN 135 244 ASN
136 245 LYS 137 246 GLU 138 247 GLU 139 248 LYS 140 249 TYR
141 250 ASP 142 251 TYR 143 252 THR 144 253 LEU 145 254 MET
146 255 GLU 147 256 PHE 148 257 ALA 149 258 GLN 150 259 PRO
151 260 ILE 152 261 TYR 153 262 ASN 154 263 SER 155 264 ALA
156 265 ASP 157 266 LYS 158 267 PHE 159 268 LYS 160 269 THR
161 270 GLU 162 271 GLU 163 272 ASP
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-02-25
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2MOQ "Solution Structure And Molecular Determinants Of Hemoglobin Binding Of The First Neat Domain Of Isdb In Staphylococcus Aureus" 100.00 163 100.00 100.00 5.89e-116
DBJ BAB42225 "conserved hypothetical protein [Staphylococcus aureus subsp. aureus N315]" 91.41 645 97.32 99.33 1.05e-98
DBJ BAB57291 "iron-regulated cell wall-anchored protein SirH [Staphylococcus aureus subsp. aureus Mu50]" 91.41 645 97.32 99.33 1.05e-98
DBJ BAB94876 "conserved hypothetical protein [Staphylococcus aureus subsp. aureus MW2]" 91.41 645 99.33 100.00 6.16e-101
DBJ BAF67312 "iron-regulated heme-iron binding protein IsdB [Staphylococcus aureus subsp. aureus str. Newman]" 91.41 645 99.33 100.00 6.16e-101
DBJ BAF78003 "conserved hypothetical protein [Staphylococcus aureus subsp. aureus Mu3]" 91.41 645 97.32 99.33 1.05e-98
EMBL CAG40104 "iron-regulated heme-iron binding protein [Staphylococcus aureus subsp. aureus MRSA252]" 91.41 652 99.33 100.00 6.34e-101
EMBL CAG42837 "iron-regulated heme-iron binding protein [Staphylococcus aureus subsp. aureus MSSA476]" 91.41 645 99.33 100.00 6.16e-101
EMBL CAI80681 "iron-regulated cell wall-anchored protein [Staphylococcus aureus RF122]" 91.41 629 97.32 99.33 9.10e-99
EMBL CAQ49550 "iron-regulated heme-iron binding protein [Staphylococcus aureus subsp. aureus ST398]" 91.41 639 99.33 100.00 2.92e-101
EMBL CBI49002 "iron-regulated heme-iron binding protein [Staphylococcus aureus subsp. aureus TW20]" 91.41 645 99.33 100.00 6.16e-101
GB AAL33769 "iron-regulated cell wall-anchored protein SirH [Staphylococcus aureus]" 91.41 652 99.33 100.00 6.34e-101
GB AAW38018 "LPXTG cell wall surface anchor protein [Staphylococcus aureus subsp. aureus COL]" 91.41 645 99.33 100.00 6.16e-101
GB ABD21843 "iron transport associated domain protein [Staphylococcus aureus subsp. aureus USA300_FPR3757]" 91.41 645 99.33 100.00 6.16e-101
GB ABD30196 "neurofilament protein [Staphylococcus aureus subsp. aureus NCTC 8325]" 91.41 645 99.33 100.00 6.16e-101
GB ABQ48988 "LPXTG-motif cell wall anchor domain [Staphylococcus aureus subsp. aureus JH9]" 91.41 645 97.32 99.33 1.05e-98
REF WP_001041562 "heme transporter IsdB [Staphylococcus aureus]" 91.41 641 97.32 99.33 1.00e-98
REF WP_001041563 "heme transporter IsdB [Staphylococcus aureus]" 91.41 642 99.33 100.00 2.95e-101
REF WP_001041564 "heme transporter IsdB [Staphylococcus aureus]" 91.41 642 99.33 100.00 3.18e-101
REF WP_001041565 "heme transporter IsdB [Staphylococcus aureus]" 91.41 644 98.66 100.00 2.55e-100
REF WP_001041566 "heme transporter IsdB [Staphylococcus aureus]" 91.41 644 98.66 100.00 2.24e-100
SP A5IS15 "RecName: Full=Iron-regulated surface determinant protein B; AltName: Full=Fur-regulated protein B; AltName: Full=Staphylococcal" 91.41 645 97.32 99.33 1.05e-98
SP A6QG30 "RecName: Full=Iron-regulated surface determinant protein B; AltName: Full=Fur-regulated protein B; AltName: Full=Staphylococcal" 91.41 645 99.33 100.00 6.16e-101
SP A6U0U6 "RecName: Full=Iron-regulated surface determinant protein B; AltName: Full=Fur-regulated protein B; AltName: Full=Staphylococcal" 91.41 645 97.32 99.33 1.05e-98
SP A7X146 "RecName: Full=Iron-regulated surface determinant protein B; AltName: Full=Fur-regulated protein B; AltName: Full=Staphylococcal" 91.41 645 97.32 99.33 1.05e-98
SP P0C7J5 "RecName: Full=Iron-regulated surface determinant protein B; AltName: Full=Fur-regulated protein B; AltName: Full=Staphylococcal" 91.41 645 99.33 100.00 6.16e-101
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$IsdB_N1 Firmicutes 1280 Bacteria . Staphylococcus aureus
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
$IsdB_N1 'recombinant technology' . Escherichia coli . pET-46
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
$IsdB_N1 1 mM '[U-99% 15N]'
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 400 mM 'natural abundance'
PMSF 0.1 mM 'natural abundance'
EDTA 1 mM 'natural abundance'
'sodium azide' 0.01 % 'natural abundance'
D2O 5 % '[U-99% 2H]'
H2O 95 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$IsdB_N1 1 mM '[U-99% 13C; U-99% 15N]'
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 400 mM 'natural abundance'
PMSF 0.1 mM 'natural abundance'
EDTA 1 mM 'natural abundance'
'sodium azide' 0.01 % 'natural abundance'
D2O 5 % '[U-99% 2H]'
H2O 95 % 'natural abundance'
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$IsdB_N1 1 mM '[U-99% 13C; U-99% 15N]'
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 400 mM 'natural abundance'
PMSF 0.1 mM 'natural abundance'
EDTA 1 mM 'natural abundance'
'sodium azide' 0.01 % 'natural abundance'
D2O 100 % '[U-99% 2H]'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 7.4
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRDraw
_Saveframe_category software
_Name NMRDraw
_Version 7.4
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version 3.113
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
'peak picking'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_1H-15N_TOCSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_2
save_
save_3D_C(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_2
save_
save_3D_HNCA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_2
save_
save_3D_HNCACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_2
save_
save_3D_HBHA(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_2
save_
save_3D_H(CCO)NH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_2
save_
save_3D_HCCH-TOCSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_3
save_
save_3D_1H-13C_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_3
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.45 . M
pH 6.8 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D 1H-15N TOCSY'
'3D 1H-15N NOESY'
'3D CBCA(CO)NH'
'3D C(CO)NH'
'3D HNCA'
'3D HNCACB'
'3D HBHA(CO)NH'
'3D H(CCO)NH'
'3D HCCH-TOCSY'
'3D 1H-13C NOESY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
$sample_3
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'IsdB N1'
_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
1 125 16 LEU H H 8.750 0.004 1
2 125 16 LEU HA H 4.373 0.008 1
3 125 16 LEU HB2 H 1.912 0.008 2
4 125 16 LEU HB3 H 1.387 0.008 2
5 125 16 LEU HG H 1.701 0.010 1
6 125 16 LEU HD1 H 0.953 0.007 2
7 125 16 LEU HD2 H 0.918 0.010 2
8 125 16 LEU CA C 56.175 0.189 1
9 125 16 LEU CB C 42.568 0.066 1
10 125 16 LEU CG C 27.445 0.150 1
11 125 16 LEU CD1 C 25.800 0.001 2
12 125 16 LEU N N 123.733 0.018 1
13 126 17 ASN H H 8.607 0.009 1
14 126 17 ASN HA H 4.903 0.005 1
15 126 17 ASN HB2 H 2.826 0.023 2
16 126 17 ASN HB3 H 2.768 0.003 2
17 126 17 ASN CA C 53.319 0.035 1
18 126 17 ASN CB C 39.717 0.111 1
19 126 17 ASN N N 124.213 0.075 1
20 127 18 GLN H H 7.565 0.010 1
21 127 18 GLN HA H 4.589 0.007 1
22 127 18 GLN HB2 H 2.226 0.017 2
23 127 18 GLN HB3 H 2.002 0.013 2
24 127 18 GLN HG2 H 2.368 0.010 2
25 127 18 GLN CA C 55.020 0.052 1
26 127 18 GLN CB C 32.810 0.057 1
27 127 18 GLN CG C 34.268 0.150 1
28 127 18 GLN N N 117.458 0.055 1
29 128 19 GLU H H 8.579 0.003 1
30 128 19 GLU HA H 4.261 0.007 1
31 128 19 GLU HB2 H 2.058 0.001 2
32 128 19 GLU HG2 H 2.555 0.011 2
33 128 19 GLU CA C 57.019 0.043 1
34 128 19 GLU CB C 31.626 0.080 1
35 128 19 GLU CG C 37.398 0.150 1
36 128 19 GLU N N 119.850 0.053 1
37 129 20 LEU H H 9.327 0.007 1
38 129 20 LEU HA H 3.911 0.010 1
39 129 20 LEU HB2 H 1.719 0.008 2
40 129 20 LEU HB3 H 1.525 0.017 2
41 129 20 LEU HD1 H 0.544 0.012 2
42 129 20 LEU HD1 H 0.527 0.009 2
43 129 20 LEU HD2 H 0.182 0.012 2
44 129 20 LEU CA C 59.649 0.173 1
45 129 20 LEU CB C 41.470 0.079 1
46 129 20 LEU CG C 27.935 0.150 1
47 129 20 LEU CD1 C 25.759 0.024 2
48 129 20 LEU N N 128.348 0.080 1
49 130 21 ARG H H 7.993 0.007 1
50 130 21 ARG HA H 3.976 0.014 1
51 130 21 ARG HB2 H 2.055 0.014 2
52 130 21 ARG HB3 H 1.840 0.014 2
53 130 21 ARG HG2 H 1.607 0.009 2
54 130 21 ARG HD2 H 3.010 0.006 2
55 130 21 ARG CA C 58.732 0.072 1
56 130 21 ARG CB C 29.604 0.052 1
57 130 21 ARG CG C 26.465 0.150 1
58 130 21 ARG CD C 44.514 0.002 1
59 130 21 ARG N N 110.965 0.066 1
60 131 22 GLU H H 6.983 0.013 1
61 131 22 GLU HA H 4.361 0.010 1
62 131 22 GLU HB2 H 1.983 0.016 2
63 131 22 GLU HG2 H 2.306 0.014 2
64 131 22 GLU HG3 H 2.121 0.007 2
65 131 22 GLU CA C 57.125 0.027 1
66 131 22 GLU CB C 30.657 0.167 1
67 131 22 GLU CG C 36.021 0.002 1
68 131 22 GLU N N 117.111 0.067 1
69 132 23 ALA H H 8.024 0.009 1
70 132 23 ALA HA H 4.020 0.016 1
71 132 23 ALA HB H 1.408 0.012 1
72 132 23 ALA CA C 55.468 0.038 1
73 132 23 ALA CB C 20.207 0.041 1
74 132 23 ALA N N 125.517 0.030 1
75 133 24 ILE H H 7.650 0.005 1
76 133 24 ILE HA H 3.687 0.012 1
77 133 24 ILE HB H 0.858 0.013 1
78 133 24 ILE HG2 H 0.512 0.007 1
79 133 24 ILE HD1 H 0.182 0.007 1
80 133 24 ILE CA C 63.940 0.029 1
81 133 24 ILE CB C 36.482 0.093 1
82 133 24 ILE CG1 C 25.141 0.150 1
83 133 24 ILE CG2 C 17.951 0.001 1
84 133 24 ILE CD1 C 14.175 0.150 1
85 133 24 ILE N N 108.614 0.031 1
86 134 25 LYS H H 6.924 0.008 1
87 134 25 LYS HA H 4.041 0.007 1
88 134 25 LYS HB2 H 1.936 0.009 2
89 134 25 LYS HB3 H 1.697 0.012 2
90 134 25 LYS HG2 H 1.300 0.010 2
91 134 25 LYS HD2 H 1.578 0.010 2
92 134 25 LYS HE2 H 3.011 0.010 2
93 134 25 LYS HE3 H 2.837 0.007 2
94 134 25 LYS CA C 56.900 0.009 1
95 134 25 LYS CB C 32.820 0.114 1
96 134 25 LYS CG C 25.871 0.150 1
97 134 25 LYS CD C 30.061 0.001 1
98 134 25 LYS CE C 42.563 0.150 1
99 134 25 LYS N N 117.649 0.050 1
100 135 26 ASN H H 7.022 0.010 1
101 135 26 ASN HA H 4.738 0.006 1
102 135 26 ASN HB2 H 2.992 0.014 2
103 135 26 ASN CA C 51.324 0.150 1
104 135 26 ASN CB C 40.095 0.150 1
105 135 26 ASN N N 119.591 0.051 1
106 136 27 PRO HA H 4.216 0.009 1
107 136 27 PRO HB2 H 2.477 0.004 2
108 136 27 PRO HB3 H 2.065 0.007 2
109 136 27 PRO CA C 65.244 0.072 1
110 136 27 PRO CB C 32.686 0.081 1
111 136 27 PRO CG C 28.049 0.150 1
112 136 27 PRO CD C 51.994 0.150 1
113 137 28 ALA H H 7.929 0.006 1
114 137 28 ALA HA H 4.216 0.013 1
115 137 28 ALA HB H 1.456 0.005 1
116 137 28 ALA CA C 54.591 0.068 1
117 137 28 ALA CB C 19.599 0.100 1
118 137 28 ALA N N 117.608 0.083 1
119 138 29 ILE H H 7.162 0.014 1
120 138 29 ILE HA H 4.557 0.012 1
121 138 29 ILE HB H 2.014 0.015 1
122 138 29 ILE HG12 H 1.533 0.010 2
123 138 29 ILE HG13 H 1.291 0.005 2
124 138 29 ILE HG2 H 1.181 0.013 1
125 138 29 ILE HD1 H 0.852 0.010 1
126 138 29 ILE CA C 59.471 0.072 1
127 138 29 ILE CB C 39.926 0.066 1
128 138 29 ILE CG1 C 24.214 0.150 1
129 138 29 ILE CG2 C 20.598 0.150 1
130 138 29 ILE CD1 C 16.262 0.001 1
131 138 29 ILE N N 106.741 0.042 1
132 139 30 LYS H H 7.073 0.010 1
133 139 30 LYS HA H 4.253 0.013 1
134 139 30 LYS HB2 H 1.855 0.019 2
135 139 30 LYS HB3 H 1.760 0.010 2
136 139 30 LYS HG2 H 1.391 0.011 2
137 139 30 LYS HG3 H 1.276 0.010 2
138 139 30 LYS HD2 H 1.634 0.005 2
139 139 30 LYS HE2 H 2.981 0.005 2
140 139 30 LYS HE3 H 2.767 0.010 2
141 139 30 LYS CA C 59.221 0.013 1
142 139 30 LYS CB C 33.194 0.077 1
143 139 30 LYS CG C 25.888 0.150 1
144 139 30 LYS CD C 30.292 0.002 1
145 139 30 LYS CE C 42.549 0.150 1
146 139 30 LYS N N 123.628 0.038 1
147 140 31 ASP H H 10.330 0.010 1
148 140 31 ASP HA H 4.373 0.010 1
149 140 31 ASP HB2 H 2.924 0.006 2
150 140 31 ASP HB3 H 2.700 0.015 2
151 140 31 ASP CA C 56.483 0.042 1
152 140 31 ASP CB C 40.079 0.052 1
153 140 31 ASP N N 125.202 0.047 1
154 141 32 LYS H H 6.874 0.015 1
155 141 32 LYS HA H 4.261 0.011 1
156 141 32 LYS HB2 H 1.629 0.016 2
157 141 32 LYS HG2 H 1.432 0.014 2
158 141 32 LYS HG3 H 1.284 0.002 2
159 141 32 LYS HD2 H 1.816 0.004 2
160 141 32 LYS HE2 H 3.048 0.004 2
161 141 32 LYS CA C 56.269 0.099 1
162 141 32 LYS CB C 34.939 0.057 1
163 141 32 LYS CG C 25.182 0.150 1
164 141 32 LYS CD C 29.728 0.150 1
165 141 32 LYS CE C 42.702 0.150 1
166 141 32 LYS N N 118.746 0.034 1
167 142 33 ASP H H 9.006 0.011 1
168 142 33 ASP HA H 4.321 0.016 1
169 142 33 ASP HB2 H 2.696 0.015 2
170 142 33 ASP CA C 56.381 0.020 1
171 142 33 ASP CB C 42.004 0.030 1
172 142 33 ASP N N 127.529 0.083 1
173 143 34 HIS H H 8.799 0.011 1
174 143 34 HIS HA H 4.841 0.019 1
175 143 34 HIS HB2 H 3.172 0.009 2
176 143 34 HIS CA C 53.562 0.024 1
177 143 34 HIS CB C 28.113 0.043 1
178 143 34 HIS N N 123.078 0.071 1
179 144 35 SER H H 7.926 0.004 1
180 144 35 SER HB2 H 3.744 0.039 2
181 144 35 SER CA C 59.959 0.096 1
182 144 35 SER CB C 63.980 0.060 1
183 144 35 SER N N 117.713 0.115 1
184 145 36 ALA H H 8.612 0.007 1
185 145 36 ALA CA C 49.881 0.150 1
186 145 36 ALA CB C 20.362 0.150 1
187 145 36 ALA N N 125.497 0.150 1
188 146 37 PRO HA H 4.305 0.009 1
189 146 37 PRO HB2 H 2.329 0.008 2
190 146 37 PRO HB3 H 1.954 0.010 2
191 146 37 PRO CA C 64.972 0.023 1
192 146 37 PRO CB C 32.611 0.095 1
193 146 37 PRO CG C 27.524 0.150 1
194 146 37 PRO CD C 51.090 0.150 1
195 147 38 ASN H H 8.600 0.009 1
196 147 38 ASN HA H 5.062 0.010 1
197 147 38 ASN HB2 H 3.043 0.017 2
198 147 38 ASN HB3 H 2.837 0.009 2
199 147 38 ASN CA C 52.429 0.056 1
200 147 38 ASN CB C 37.647 0.044 1
201 147 38 ASN N N 117.281 0.057 1
202 148 39 SER H H 7.825 0.008 1
203 148 39 SER HA H 4.915 0.008 1
204 148 39 SER HB2 H 3.672 0.009 2
205 148 39 SER CA C 57.541 0.021 1
206 148 39 SER CB C 67.550 0.044 1
207 148 39 SER N N 113.898 0.029 1
208 149 40 ARG H H 8.646 0.007 1
209 149 40 ARG HA H 4.913 0.007 1
210 149 40 ARG HB2 H 1.543 0.015 2
211 149 40 ARG CA C 53.362 0.150 1
212 149 40 ARG CB C 32.933 0.150 1
213 149 40 ARG N N 118.457 0.060 1
214 150 41 PRO HA H 5.217 0.009 1
215 150 41 PRO HB2 H 2.162 0.015 2
216 150 41 PRO HB3 H 2.101 0.010 2
217 150 41 PRO CA C 62.710 0.055 1
218 150 41 PRO CB C 33.127 0.042 1
219 150 41 PRO CG C 27.513 0.150 1
220 150 41 PRO CD C 50.952 0.150 1
221 151 42 ILE H H 8.686 0.008 1
222 151 42 ILE HA H 4.849 0.008 1
223 151 42 ILE HB H 1.702 0.014 1
224 151 42 ILE HG12 H 1.264 0.010 2
225 151 42 ILE HG2 H 0.893 0.011 1
226 151 42 ILE CA C 58.668 0.060 1
227 151 42 ILE CB C 43.020 0.061 1
228 151 42 ILE CG1 C 29.375 0.150 1
229 151 42 ILE CG2 C 19.030 0.034 1
230 151 42 ILE CD1 C 15.856 0.150 1
231 151 42 ILE N N 118.960 0.053 1
232 152 43 ASP H H 8.492 0.006 1
233 152 43 ASP HA H 5.067 0.016 1
234 152 43 ASP HB2 H 2.801 0.016 2
235 152 43 ASP HB3 H 2.635 0.007 2
236 152 43 ASP CA C 54.689 0.098 1
237 152 43 ASP CB C 42.641 0.046 1
238 152 43 ASP N N 127.929 0.039 1
239 153 44 PHE H H 7.852 0.007 1
240 153 44 PHE HA H 5.557 0.009 1
241 153 44 PHE HB2 H 2.956 0.010 2
242 153 44 PHE HB3 H 2.606 0.008 2
243 153 44 PHE HD1 H 7.060 0.011 3
244 153 44 PHE CA C 56.549 0.028 1
245 153 44 PHE CB C 42.508 0.033 1
246 153 44 PHE N N 113.776 0.033 1
247 154 45 GLU H H 8.721 0.011 1
248 154 45 GLU HA H 4.764 0.007 1
249 154 45 GLU HB2 H 2.238 0.002 2
250 154 45 GLU HB3 H 1.739 0.004 2
251 154 45 GLU CA C 54.936 0.103 1
252 154 45 GLU CB C 35.099 0.012 1
253 154 45 GLU CG C 36.992 0.150 1
254 154 45 GLU N N 117.721 0.048 1
255 155 46 MET H H 8.560 0.006 1
256 155 46 MET HA H 5.523 0.010 1
257 155 46 MET HB2 H 2.420 0.008 2
258 155 46 MET CA C 53.670 0.056 1
259 155 46 MET CB C 36.169 0.036 1
260 155 46 MET CG C 33.010 0.150 1
261 155 46 MET N N 119.897 0.091 1
262 156 47 LYS H H 9.747 0.009 1
263 156 47 LYS HA H 5.164 0.021 1
264 156 47 LYS HB2 H 1.830 0.016 2
265 156 47 LYS HG2 H 1.247 0.010 2
266 156 47 LYS HD2 H 1.529 0.019 2
267 156 47 LYS CA C 55.806 0.113 1
268 156 47 LYS CB C 38.061 0.155 1
269 156 47 LYS CG C 26.146 0.150 1
270 156 47 LYS CD C 30.039 0.150 1
271 156 47 LYS CE C 43.316 0.150 1
272 156 47 LYS N N 124.278 0.074 1
273 157 48 LYS H H 9.108 0.008 1
274 157 48 LYS HA H 4.632 0.007 1
275 157 48 LYS HB2 H 2.132 0.011 2
276 157 48 LYS HB3 H 1.839 0.012 2
277 157 48 LYS HG2 H 1.378 0.012 2
278 157 48 LYS HG3 H 1.209 0.010 2
279 157 48 LYS HD2 H 1.855 0.020 2
280 157 48 LYS HD3 H 1.635 0.007 2
281 157 48 LYS HE2 H 3.230 0.009 2
282 157 48 LYS CA C 56.532 0.052 1
283 157 48 LYS CB C 34.988 0.012 1
284 157 48 LYS CG C 26.293 0.150 1
285 157 48 LYS CD C 30.346 0.150 1
286 157 48 LYS CE C 42.515 0.001 1
287 157 48 LYS N N 119.350 0.082 1
288 158 49 LYS H H 9.162 0.010 1
289 158 49 LYS HA H 3.572 0.007 1
290 158 49 LYS HB2 H 1.500 0.013 2
291 158 49 LYS HB3 H 1.193 0.014 2
292 158 49 LYS HG2 H 0.763 0.010 2
293 158 49 LYS HD2 H 1.026 0.010 2
294 158 49 LYS HE2 H 2.646 0.014 2
295 158 49 LYS CA C 59.990 0.072 1
296 158 49 LYS CB C 32.390 0.030 1
297 158 49 LYS CG C 24.849 0.150 1
298 158 49 LYS CD C 29.414 0.150 1
299 158 49 LYS CE C 42.110 0.150 1
300 158 49 LYS N N 123.850 0.079 1
301 159 50 ASP H H 7.465 0.013 1
302 159 50 ASP HA H 4.436 0.009 1
303 159 50 ASP HB2 H 3.106 0.008 2
304 159 50 ASP HB3 H 2.569 0.015 2
305 159 50 ASP CA C 53.685 0.068 1
306 159 50 ASP CB C 40.476 0.086 1
307 159 50 ASP N N 114.320 0.048 1
308 160 51 GLY H H 8.026 0.012 1
309 160 51 GLY HA2 H 4.373 0.011 2
310 160 51 GLY HA3 H 3.620 0.012 2
311 160 51 GLY CA C 45.950 0.026 1
312 160 51 GLY N N 107.749 0.028 1
313 161 52 THR H H 8.090 0.007 1
314 161 52 THR HA H 4.424 0.007 1
315 161 52 THR HB H 4.280 0.007 1
316 161 52 THR HG2 H 1.269 0.013 1
317 161 52 THR HG2 H 1.180 0.005 1
318 161 52 THR CA C 62.114 0.077 1
319 161 52 THR CB C 71.056 0.048 1
320 161 52 THR CG2 C 22.320 0.150 1
321 161 52 THR N N 113.038 0.063 1
322 162 53 GLN H H 8.555 0.006 1
323 162 53 GLN HA H 4.226 0.012 1
324 162 53 GLN HB2 H 1.923 0.012 2
325 162 53 GLN HG2 H 2.259 0.011 2
326 162 53 GLN HG3 H 2.124 0.010 2
327 162 53 GLN CA C 58.220 0.057 1
328 162 53 GLN CB C 31.115 0.102 1
329 162 53 GLN CG C 34.855 0.004 1
330 162 53 GLN N N 119.814 0.079 1
331 163 54 GLN H H 8.627 0.014 1
332 163 54 GLN HA H 4.745 0.150 1
333 163 54 GLN HB2 H 2.139 0.007 2
334 163 54 GLN CA C 53.987 0.040 1
335 163 54 GLN CB C 31.155 0.150 1
336 163 54 GLN N N 127.994 0.058 1
337 167 58 TYR HA H 4.358 0.016 1
338 167 58 TYR HB2 H 3.807 0.010 2
339 167 58 TYR HB3 H 3.712 0.010 2
340 167 58 TYR CA C 59.957 0.150 1
341 167 58 TYR CB C 42.798 0.150 1
342 168 59 ALA H H 7.922 0.014 1
343 168 59 ALA HA H 3.852 0.009 1
344 168 59 ALA HB H 1.102 0.008 1
345 168 59 ALA CA C 54.569 0.045 1
346 168 59 ALA CB C 18.855 0.295 1
347 168 59 ALA N N 125.744 0.150 1
348 169 60 SER H H 7.651 0.012 1
349 169 60 SER HA H 4.359 0.012 1
350 169 60 SER HB2 H 3.825 0.014 2
351 169 60 SER HB3 H 3.724 0.008 2
352 169 60 SER CA C 57.610 0.057 1
353 169 60 SER CB C 63.774 0.065 1
354 169 60 SER N N 109.841 0.041 1
355 170 61 SER H H 7.077 0.016 1
356 170 61 SER HA H 5.059 0.013 1
357 170 61 SER HB2 H 3.930 0.002 2
358 170 61 SER CA C 57.659 0.012 1
359 170 61 SER CB C 66.062 0.058 1
360 170 61 SER N N 114.660 0.036 1
361 171 62 VAL H H 8.841 0.008 1
362 171 62 VAL HA H 3.793 0.011 1
363 171 62 VAL HB H 1.977 0.007 1
364 171 62 VAL HG1 H 0.969 0.011 2
365 171 62 VAL HG2 H 0.252 0.007 2
366 171 62 VAL CA C 63.615 0.033 1
367 171 62 VAL CB C 32.205 0.006 1
368 171 62 VAL CG1 C 24.898 0.150 2
369 171 62 VAL N N 127.155 0.034 1
370 172 63 LYS H H 8.311 0.016 1
371 172 63 LYS HA H 4.849 0.006 1
372 172 63 LYS HB2 H 1.524 0.016 2
373 172 63 LYS HB3 H 1.164 0.012 2
374 172 63 LYS CA C 53.456 0.150 1
375 172 63 LYS CB C 32.814 0.150 1
376 172 63 LYS N N 126.424 0.034 1
377 173 64 PRO CA C 63.965 0.133 1
378 173 64 PRO CB C 34.591 0.030 1
379 173 64 PRO CG C 30.627 0.150 1
380 174 65 ALA H H 8.227 0.009 1
381 174 65 ALA HA H 5.293 0.014 1
382 174 65 ALA HB H 1.607 0.015 1
383 174 65 ALA CA C 52.642 0.089 1
384 174 65 ALA CB C 19.544 0.106 1
385 174 65 ALA N N 120.165 0.014 1
386 175 66 ARG H H 8.291 0.008 1
387 175 66 ARG HA H 5.219 0.013 1
388 175 66 ARG HB2 H 1.566 0.011 2
389 175 66 ARG HD2 H 2.943 0.009 2
390 175 66 ARG CA C 55.099 0.020 1
391 175 66 ARG CB C 34.224 0.090 1
392 175 66 ARG CG C 27.369 0.150 1
393 175 66 ARG CD C 42.972 0.150 1
394 175 66 ARG N N 115.627 0.096 1
395 176 67 VAL H H 9.017 0.009 1
396 176 67 VAL HA H 4.472 0.010 1
397 176 67 VAL HB H 1.479 0.010 1
398 176 67 VAL HG1 H 0.688 0.013 2
399 176 67 VAL HG2 H 0.543 0.009 2
400 176 67 VAL CA C 60.765 0.067 1
401 176 67 VAL CB C 33.457 0.074 1
402 176 67 VAL CG1 C 22.090 0.150 2
403 176 67 VAL CG2 C 20.027 0.001 2
404 176 67 VAL N N 122.134 0.069 1
405 177 68 ILE H H 9.486 0.005 1
406 177 68 ILE HA H 3.658 0.012 1
407 177 68 ILE HB H 1.679 0.014 1
408 177 68 ILE HG12 H 1.119 0.012 2
409 177 68 ILE HG2 H 0.715 0.010 1
410 177 68 ILE HD1 H 0.521 0.013 1
411 177 68 ILE CA C 60.470 0.066 1
412 177 68 ILE CB C 39.348 0.007 1
413 177 68 ILE CG1 C 28.686 0.150 1
414 177 68 ILE CG2 C 18.050 0.150 1
415 177 68 ILE CD1 C 14.240 0.001 1
416 177 68 ILE N N 128.305 0.065 1
417 178 69 PHE H H 7.504 0.013 1
418 178 69 PHE HA H 5.055 0.017 1
419 178 69 PHE HB2 H 3.343 0.018 2
420 178 69 PHE HB3 H 2.707 0.013 2
421 178 69 PHE HD1 H 7.106 0.011 3
422 178 69 PHE CA C 57.063 0.016 1
423 178 69 PHE CB C 38.933 0.068 1
424 178 69 PHE N N 125.630 0.073 1
425 179 70 THR H H 8.932 0.009 1
426 179 70 THR HA H 4.872 0.006 1
427 179 70 THR HB H 4.561 0.010 1
428 179 70 THR HG2 H 1.235 0.014 1
429 179 70 THR CA C 60.741 0.046 1
430 179 70 THR CB C 72.358 0.025 1
431 179 70 THR N N 114.426 0.097 1
432 180 71 ASP H H 8.444 0.008 1
433 180 71 ASP HA H 4.744 0.008 1
434 180 71 ASP HB2 H 2.787 0.009 2
435 180 71 ASP CA C 54.899 0.043 1
436 180 71 ASP CB C 41.255 0.056 1
437 180 71 ASP N N 117.624 0.058 1
438 181 72 SER H H 8.705 0.006 1
439 181 72 SER HA H 4.519 0.016 1
440 181 72 SER HB2 H 3.809 0.012 2
441 181 72 SER CA C 58.005 0.050 1
442 181 72 SER CB C 63.655 0.107 1
443 181 72 SER N N 115.354 0.040 1
444 182 73 LYS H H 8.117 0.009 1
445 182 73 LYS HA H 4.686 0.010 1
446 182 73 LYS HB2 H 1.488 0.007 2
447 182 73 LYS CA C 54.920 0.150 1
448 182 73 LYS CB C 33.557 0.150 1
449 182 73 LYS N N 124.438 0.142 1
450 183 74 PRO HA H 4.612 0.009 1
451 183 74 PRO HB2 H 1.948 0.011 2
452 183 74 PRO HB3 H 1.673 0.002 2
453 183 74 PRO HG2 H 1.472 0.019 2
454 183 74 PRO HD2 H 2.962 0.014 2
455 183 74 PRO CA C 63.591 0.040 1
456 183 74 PRO CB C 32.518 0.154 1
457 183 74 PRO CG C 27.427 0.150 1
458 184 75 GLU H H 8.238 0.012 1
459 184 75 GLU HA H 4.889 0.008 1
460 184 75 GLU HB2 H 1.708 0.012 2
461 184 75 GLU HB3 H 1.763 0.001 2
462 184 75 GLU HG2 H 2.021 0.012 2
463 184 75 GLU CA C 54.321 0.068 1
464 184 75 GLU CB C 33.711 0.095 1
465 184 75 GLU CG C 37.824 0.150 1
466 184 75 GLU N N 118.970 0.049 1
467 185 76 ILE H H 8.751 0.007 1
468 185 76 ILE HA H 4.758 0.008 1
469 185 76 ILE HB H 0.700 0.012 1
470 185 76 ILE HG12 H 0.927 0.010 2
471 185 76 ILE HG2 H 0.466 0.011 1
472 185 76 ILE HD1 H 0.287 0.013 1
473 185 76 ILE CA C 56.554 0.107 1
474 185 76 ILE CB C 37.237 0.049 1
475 185 76 ILE CG1 C 27.341 0.150 1
476 185 76 ILE CG2 C 17.420 0.001 1
477 185 76 ILE N N 123.243 0.141 1
478 186 77 GLU H H 8.987 0.008 1
479 186 77 GLU HA H 5.395 0.013 1
480 186 77 GLU HB2 H 1.747 0.009 2
481 186 77 GLU HG2 H 2.011 0.009 2
482 186 77 GLU CA C 54.480 0.034 1
483 186 77 GLU CB C 34.165 0.104 1
484 186 77 GLU CG C 39.429 0.021 1
485 186 77 GLU N N 123.564 0.063 1
486 187 78 LEU H H 8.869 0.009 1
487 187 78 LEU HA H 5.074 0.009 1
488 187 78 LEU HB2 H 1.631 0.008 2
489 187 78 LEU HD1 H 0.977 0.008 2
490 187 78 LEU CA C 52.908 0.011 1
491 187 78 LEU CB C 47.557 0.014 1
492 187 78 LEU CG C 27.761 0.150 1
493 187 78 LEU CD1 C 23.740 0.150 2
494 187 78 LEU CD2 C 22.239 0.150 2
495 187 78 LEU N N 131.784 0.043 1
496 188 79 GLY H H 9.921 0.007 1
497 188 79 GLY HA2 H 4.242 0.012 2
498 188 79 GLY HA3 H 2.506 0.014 2
499 188 79 GLY CA C 45.200 0.105 1
500 188 79 GLY N N 114.552 0.036 1
501 189 80 LEU H H 8.943 0.004 1
502 189 80 LEU HA H 4.598 0.011 1
503 189 80 LEU HB2 H 1.093 0.014 2
504 189 80 LEU HD1 H 0.863 0.008 2
505 189 80 LEU HD2 H 0.721 0.009 2
506 189 80 LEU CA C 53.358 0.037 1
507 189 80 LEU CB C 44.049 0.064 1
508 189 80 LEU CG C 24.792 0.150 1
509 189 80 LEU CD1 C 22.613 0.150 2
510 189 80 LEU CD2 C 19.144 0.150 2
511 189 80 LEU N N 125.868 0.042 1
512 190 81 GLN H H 8.393 0.012 1
513 190 81 GLN HA H 4.502 0.004 1
514 190 81 GLN CA C 54.687 0.100 1
515 190 81 GLN CB C 29.712 0.139 1
516 190 81 GLN CG C 34.341 0.150 1
517 190 81 GLN N N 119.359 0.089 1
518 191 82 SER H H 9.741 0.022 1
519 191 82 SER HA H 4.533 0.009 1
520 191 82 SER HB2 H 4.250 0.006 2
521 191 82 SER HB3 H 4.195 0.008 2
522 191 82 SER CA C 59.101 0.054 1
523 191 82 SER CB C 62.298 0.018 1
524 191 82 SER N N 114.535 0.039 1
525 192 83 GLY H H 8.864 0.008 1
526 192 83 GLY HA2 H 3.564 0.012 2
527 192 83 GLY CA C 49.117 0.088 1
528 192 83 GLY N N 107.846 0.048 1
529 193 84 GLN H H 9.354 0.008 1
530 193 84 GLN HA H 3.998 0.017 1
531 193 84 GLN HB2 H 1.856 0.010 2
532 193 84 GLN HG2 H 2.241 0.006 2
533 193 84 GLN CA C 57.821 0.108 1
534 193 84 GLN CB C 29.372 0.067 1
535 193 84 GLN CG C 33.003 0.150 1
536 193 84 GLN N N 115.829 0.032 1
537 194 85 PHE H H 8.227 0.013 1
538 194 85 PHE HA H 4.789 0.015 1
539 194 85 PHE HB2 H 3.126 0.009 2
540 194 85 PHE HB3 H 2.730 0.008 2
541 194 85 PHE HD1 H 7.270 0.002 3
542 194 85 PHE CA C 57.556 0.142 1
543 194 85 PHE CB C 39.662 0.039 1
544 194 85 PHE N N 117.670 0.062 1
545 195 86 TRP H H 7.566 0.007 1
546 195 86 TRP HA H 4.780 0.013 1
547 195 86 TRP HB2 H 3.236 0.004 2
548 195 86 TRP HD1 H 7.114 0.010 1
549 195 86 TRP HE1 H 10.166 0.004 1
550 195 86 TRP HE3 H 7.418 0.001 1
551 195 86 TRP CA C 58.640 0.051 1
552 195 86 TRP CB C 31.944 0.038 1
553 195 86 TRP N N 120.184 0.073 1
554 195 86 TRP NE1 N 129.324 0.027 1
555 196 87 ARG H H 9.125 0.006 1
556 196 87 ARG HA H 4.660 0.017 1
557 196 87 ARG HB2 H 1.913 0.009 2
558 196 87 ARG CA C 57.263 0.098 1
559 196 87 ARG CB C 30.492 0.123 1
560 196 87 ARG CD C 44.554 0.150 1
561 196 87 ARG N N 123.227 0.086 1
562 197 88 LYS H H 8.190 0.008 1
563 197 88 LYS HA H 4.418 0.005 1
564 197 88 LYS CA C 57.332 0.150 1
565 197 88 LYS CB C 33.343 0.150 1
566 197 88 LYS N N 123.375 0.067 1
567 199 90 GLU HA H 4.606 0.012 1
568 199 90 GLU HB2 H 1.743 0.009 2
569 199 90 GLU HG2 H 2.206 0.009 2
570 199 90 GLU CA C 54.421 0.014 1
571 199 90 GLU CB C 35.071 0.019 1
572 199 90 GLU CG C 36.309 0.001 1
573 200 91 VAL H H 8.782 0.010 1
574 200 91 VAL HA H 4.712 0.012 1
575 200 91 VAL HB H 1.125 0.012 1
576 200 91 VAL HG1 H 0.283 0.009 2
577 200 91 VAL HG2 H 0.024 0.012 2
578 200 91 VAL CA C 60.881 0.129 1
579 200 91 VAL CB C 34.718 0.057 1
580 200 91 VAL CG1 C 21.700 0.001 2
581 200 91 VAL N N 121.760 0.028 1
582 201 92 TYR H H 9.408 0.009 1
583 201 92 TYR HA H 5.141 0.015 1
584 201 92 TYR HB2 H 2.692 0.015 2
585 201 92 TYR HD1 H 6.701 0.017 3
586 201 92 TYR CA C 56.723 0.081 1
587 201 92 TYR CB C 42.511 0.093 1
588 201 92 TYR N N 123.641 0.031 1
589 202 93 GLU H H 8.687 0.008 1
590 202 93 GLU HA H 4.862 0.012 1
591 202 93 GLU HB2 H 2.142 0.014 2
592 202 93 GLU HB3 H 2.103 0.010 2
593 202 93 GLU HG2 H 2.416 0.015 2
594 202 93 GLU CA C 54.996 0.005 1
595 202 93 GLU CB C 32.669 0.093 1
596 202 93 GLU CG C 37.359 0.150 1
597 202 93 GLU N N 124.021 0.084 1
598 203 94 GLY H H 8.913 0.004 1
599 203 94 GLY HA2 H 4.093 0.013 2
600 203 94 GLY HA3 H 3.700 0.011 2
601 203 94 GLY CA C 47.886 0.058 1
602 203 94 GLY N N 118.965 0.031 1
603 204 95 ASP H H 8.832 0.009 1
604 204 95 ASP HA H 4.726 0.006 1
605 204 95 ASP HB2 H 2.759 0.013 2
606 204 95 ASP CA C 54.738 0.096 1
607 204 95 ASP CB C 41.659 0.090 1
608 204 95 ASP N N 126.246 0.054 1
609 205 96 LYS H H 8.120 0.007 1
610 205 96 LYS HA H 4.459 0.016 1
611 205 96 LYS HB2 H 1.985 0.010 2
612 205 96 LYS HB3 H 1.832 0.010 2
613 205 96 LYS HG2 H 1.500 0.011 2
614 205 96 LYS HG3 H 1.395 0.019 2
615 205 96 LYS HD2 H 1.722 0.011 2
616 205 96 LYS HE2 H 3.026 0.007 2
617 205 96 LYS CA C 56.161 0.056 1
618 205 96 LYS CB C 33.962 0.207 1
619 205 96 LYS CG C 25.033 0.150 1
620 205 96 LYS CD C 29.604 0.150 1
621 205 96 LYS CE C 42.567 0.150 1
622 205 96 LYS N N 122.356 0.104 1
623 206 97 LYS H H 8.575 0.010 1
624 206 97 LYS HA H 3.442 0.012 1
625 206 97 LYS HB2 H 1.620 0.009 2
626 206 97 LYS HB3 H 1.462 0.005 2
627 206 97 LYS HD2 H 1.561 0.010 2
628 206 97 LYS CA C 57.100 0.063 1
629 206 97 LYS CB C 33.283 0.088 1
630 206 97 LYS CG C 25.818 0.150 1
631 206 97 LYS CD C 29.972 0.150 1
632 206 97 LYS CE C 42.482 0.150 1
633 206 97 LYS N N 128.176 0.029 1
634 207 98 LEU H H 9.039 0.011 1
635 207 98 LEU HA H 4.716 0.009 1
636 207 98 LEU HB2 H 1.450 0.004 2
637 207 98 LEU CA C 52.631 0.150 1
638 207 98 LEU CB C 41.808 0.150 1
639 207 98 LEU N N 130.162 0.006 1
640 208 99 PRO HA H 4.523 0.010 1
641 208 99 PRO HB2 H 2.259 0.006 2
642 208 99 PRO HB3 H 1.972 0.011 2
643 208 99 PRO HG2 H 2.054 0.005 2
644 208 99 PRO HG3 H 1.936 0.003 2
645 208 99 PRO HD2 H 3.119 0.005 2
646 208 99 PRO CA C 63.190 0.067 1
647 208 99 PRO CB C 32.170 0.049 1
648 208 99 PRO CG C 28.139 0.150 1
649 208 99 PRO CD C 50.764 0.150 1
650 209 100 ILE H H 8.477 0.005 1
651 209 100 ILE HA H 4.955 0.022 1
652 209 100 ILE HB H 1.894 0.017 1
653 209 100 ILE HG12 H 1.755 0.013 2
654 209 100 ILE HG2 H 1.172 0.015 1
655 209 100 ILE HD1 H 0.958 0.010 1
656 209 100 ILE CA C 59.986 0.149 1
657 209 100 ILE CB C 41.229 0.044 1
658 209 100 ILE CG1 C 27.529 0.150 1
659 209 100 ILE CG2 C 19.083 0.150 1
660 209 100 ILE CD1 C 14.838 0.006 1
661 209 100 ILE N N 122.506 0.109 1
662 210 101 LYS H H 8.976 0.009 1
663 210 101 LYS HA H 4.784 0.011 1
664 210 101 LYS HB2 H 1.621 0.008 2
665 210 101 LYS HB3 H 1.546 0.004 2
666 210 101 LYS HG2 H 0.975 0.010 2
667 210 101 LYS HD2 H 1.355 0.010 2
668 210 101 LYS HE2 H 2.816 0.010 2
669 210 101 LYS CA C 54.986 0.065 1
670 210 101 LYS CB C 35.743 0.055 1
671 210 101 LYS CG C 25.204 0.150 1
672 210 101 LYS CD C 30.009 0.150 1
673 210 101 LYS CE C 42.210 0.150 1
674 210 101 LYS N N 124.325 0.062 1
675 211 102 LEU H H 8.856 0.005 1
676 211 102 LEU HA H 4.839 0.008 1
677 211 102 LEU HB2 H 1.921 0.007 2
678 211 102 LEU HB3 H 1.163 0.011 2
679 211 102 LEU HG H 0.732 0.007 1
680 211 102 LEU HD1 H 0.843 0.013 2
681 211 102 LEU CA C 54.799 0.087 1
682 211 102 LEU CB C 42.730 0.037 1
683 211 102 LEU CG C 28.181 0.095 1
684 211 102 LEU CD1 C 24.873 0.150 2
685 211 102 LEU N N 127.279 0.069 1
686 212 103 VAL H H 8.382 0.006 1
687 212 103 VAL HA H 4.506 0.009 1
688 212 103 VAL HB H 2.237 0.012 1
689 212 103 VAL HG1 H 0.796 0.010 2
690 212 103 VAL HG2 H 0.643 0.009 2
691 212 103 VAL CA C 62.163 0.068 1
692 212 103 VAL CB C 32.700 0.092 1
693 212 103 VAL CG1 C 22.687 0.150 2
694 212 103 VAL CG2 C 19.575 0.065 2
695 212 103 VAL N N 117.503 0.073 1
696 213 104 SER H H 7.146 0.010 1
697 213 104 SER HA H 4.955 0.010 1
698 213 104 SER HB2 H 3.862 0.010 2
699 213 104 SER CA C 59.207 0.048 1
700 213 104 SER CB C 63.439 0.053 1
701 213 104 SER N N 110.242 0.042 1
702 214 105 TYR H H 8.242 0.006 1
703 214 105 TYR HA H 5.556 0.012 1
704 214 105 TYR HB2 H 2.773 0.008 2
705 214 105 TYR HD1 H 6.874 0.005 3
706 214 105 TYR CA C 56.378 0.086 1
707 214 105 TYR CB C 42.173 0.132 1
708 214 105 TYR N N 127.036 0.048 1
709 215 106 ASP H H 9.156 0.006 1
710 215 106 ASP HA H 4.851 0.013 1
711 215 106 ASP HB2 H 2.844 0.014 2
712 215 106 ASP CA C 53.253 0.060 1
713 215 106 ASP CB C 42.378 0.114 1
714 215 106 ASP N N 129.558 0.060 1
715 216 107 THR H H 8.804 0.014 1
716 216 107 THR HA H 4.220 0.009 1
717 216 107 THR HB H 3.491 0.008 1
718 216 107 THR CA C 64.896 0.054 1
719 216 107 THR CB C 69.632 0.105 1
720 216 107 THR CG2 C 23.106 0.150 1
721 216 107 THR N N 118.809 0.044 1
722 217 108 VAL H H 8.098 0.006 1
723 217 108 VAL HA H 3.747 0.011 1
724 217 108 VAL HB H 2.038 0.010 1
725 217 108 VAL HG1 H 0.964 0.012 2
726 217 108 VAL HG2 H 0.845 0.004 2
727 217 108 VAL CA C 65.760 0.064 1
728 217 108 VAL CB C 32.348 0.141 1
729 217 108 VAL CG1 C 23.164 0.064 2
730 217 108 VAL CG2 C 21.012 0.150 2
731 217 108 VAL N N 123.921 0.070 1
732 218 109 LYS H H 7.520 0.008 1
733 218 109 LYS HA H 3.884 0.006 1
734 218 109 LYS HB2 H 0.498 0.017 2
735 218 109 LYS HG2 H 0.976 0.003 2
736 218 109 LYS HD2 H 1.255 0.011 2
737 218 109 LYS HD3 H 1.163 0.003 2
738 218 109 LYS HE2 H 2.818 0.020 2
739 218 109 LYS CA C 56.502 0.037 1
740 218 109 LYS CB C 31.843 0.145 1
741 218 109 LYS CG C 25.875 0.150 1
742 218 109 LYS CD C 29.409 0.150 1
743 218 109 LYS CE C 42.261 0.150 1
744 218 109 LYS N N 117.179 0.063 1
745 219 110 ASP H H 8.092 0.008 1
746 219 110 ASP HA H 4.176 0.012 1
747 219 110 ASP HB2 H 2.459 0.009 2
748 219 110 ASP HB3 H 3.518 0.150 2
749 219 110 ASP CA C 55.362 0.038 1
750 219 110 ASP CB C 39.319 0.058 1
751 219 110 ASP N N 118.666 0.038 1
752 220 111 TYR H H 6.940 0.006 1
753 220 111 TYR HA H 5.894 0.007 1
754 220 111 TYR HB2 H 2.323 0.014 2
755 220 111 TYR HD1 H 6.677 0.012 3
756 220 111 TYR CA C 52.609 0.154 1
757 220 111 TYR CB C 40.315 0.057 1
758 220 111 TYR N N 115.392 0.045 1
759 221 112 ALA H H 9.239 0.007 1
760 221 112 ALA HA H 5.076 0.015 1
761 221 112 ALA HB H 1.190 0.011 1
762 221 112 ALA CA C 50.514 0.085 1
763 221 112 ALA CB C 22.040 0.014 1
764 221 112 ALA N N 124.578 0.081 1
765 222 113 TYR H H 8.645 0.016 1
766 222 113 TYR HA H 5.023 0.015 1
767 222 113 TYR HB2 H 2.209 0.011 2
768 222 113 TYR HB3 H 2.073 0.010 2
769 222 113 TYR HD1 H 6.858 0.010 3
770 222 113 TYR CA C 58.555 0.060 1
771 222 113 TYR CB C 40.002 0.150 1
772 222 113 TYR N N 119.635 0.130 1
773 223 114 ILE H H 8.843 0.008 1
774 223 114 ILE HA H 5.567 0.006 1
775 223 114 ILE HB H 1.828 0.017 1
776 223 114 ILE HG12 H 1.534 0.017 2
777 223 114 ILE HG2 H 0.612 0.007 1
778 223 114 ILE HD1 H 0.597 0.007 1
779 223 114 ILE CA C 58.281 0.040 1
780 223 114 ILE CB C 41.743 0.092 1
781 223 114 ILE CG1 C 26.115 0.150 1
782 223 114 ILE CG2 C 18.296 0.015 1
783 223 114 ILE CD1 C 15.563 0.149 1
784 223 114 ILE N N 119.011 0.065 1
785 224 115 ARG H H 9.176 0.013 1
786 224 115 ARG HA H 6.146 0.015 1
787 224 115 ARG HB2 H 1.639 0.011 2
788 224 115 ARG HD2 H 2.950 0.006 2
789 224 115 ARG CA C 54.422 0.057 1
790 224 115 ARG CB C 36.500 0.123 1
791 224 115 ARG CG C 27.998 0.150 1
792 224 115 ARG CD C 44.740 0.150 1
793 224 115 ARG N N 118.191 0.062 1
794 225 116 PHE H H 7.952 0.009 1
795 225 116 PHE HA H 5.035 0.019 1
796 225 116 PHE HB2 H 3.281 0.016 2
797 225 116 PHE HB3 H 2.877 0.013 2
798 225 116 PHE HD1 H 6.771 0.010 3
799 225 116 PHE CA C 55.914 0.038 1
800 225 116 PHE CB C 40.965 0.027 1
801 225 116 PHE N N 115.392 0.044 1
802 226 117 SER H H 9.307 0.007 1
803 226 117 SER HA H 5.343 0.011 1
804 226 117 SER HB2 H 3.696 0.013 2
805 226 117 SER HB3 H 3.724 0.010 2
806 226 117 SER CA C 58.549 0.041 1
807 226 117 SER CB C 64.660 0.026 1
808 226 117 SER N N 117.688 0.041 1
809 227 118 VAL H H 7.949 0.009 1
810 227 118 VAL HA H 4.961 0.010 1
811 227 118 VAL HB H 2.363 0.011 1
812 227 118 VAL HG1 H 0.978 0.014 2
813 227 118 VAL HG2 H 0.542 0.007 2
814 227 118 VAL CA C 58.451 0.124 1
815 227 118 VAL CB C 35.073 0.012 1
816 227 118 VAL CG1 C 23.100 0.001 2
817 227 118 VAL CG2 C 18.997 0.150 2
818 227 118 VAL N N 113.881 0.034 1
819 228 119 SER H H 8.973 0.006 1
820 228 119 SER HA H 4.383 0.018 1
821 228 119 SER HB2 H 3.907 0.013 2
822 228 119 SER HB3 H 3.655 0.015 2
823 228 119 SER CA C 59.213 0.068 1
824 228 119 SER CB C 63.482 0.024 1
825 228 119 SER N N 114.470 0.061 1
826 229 120 ASN H H 9.030 0.014 1
827 229 120 ASN HA H 4.533 0.012 1
828 229 120 ASN HB2 H 2.778 0.010 2
829 229 120 ASN CA C 55.620 0.026 1
830 229 120 ASN CB C 39.407 0.058 1
831 229 120 ASN N N 122.887 0.073 1
832 230 121 GLY H H 8.997 0.013 1
833 230 121 GLY HA2 H 4.186 0.011 2
834 230 121 GLY CA C 45.071 0.049 1
835 230 121 GLY N N 113.501 0.056 1
836 231 122 THR H H 7.568 0.008 1
837 231 122 THR HA H 3.876 0.009 1
838 231 122 THR HB H 3.889 0.005 1
839 231 122 THR CA C 66.410 0.053 1
840 231 122 THR CB C 70.029 0.010 1
841 231 122 THR CG2 C 23.175 0.150 1
842 231 122 THR N N 119.755 0.038 1
843 232 123 LYS H H 9.115 0.005 1
844 232 123 LYS HA H 4.660 0.013 1
845 232 123 LYS HB2 H 2.014 0.012 2
846 232 123 LYS HB3 H 1.800 0.024 2
847 232 123 LYS HG2 H 1.641 0.005 2
848 232 123 LYS HD2 H 1.691 0.011 2
849 232 123 LYS HE2 H 3.022 0.003 2
850 232 123 LYS CA C 56.523 0.028 1
851 232 123 LYS CB C 35.960 0.077 1
852 232 123 LYS CG C 26.447 0.150 1
853 232 123 LYS CD C 29.518 0.150 1
854 232 123 LYS CE C 42.992 0.150 1
855 232 123 LYS N N 126.711 0.031 1
856 233 124 ALA H H 7.816 0.009 1
857 233 124 ALA HA H 5.393 0.017 1
858 233 124 ALA HB H 1.353 0.011 1
859 233 124 ALA CA C 51.915 0.078 1
860 233 124 ALA CB C 22.999 0.137 1
861 233 124 ALA N N 121.189 0.092 1
862 234 125 VAL H H 8.478 0.004 1
863 234 125 VAL HA H 4.869 0.008 1
864 234 125 VAL HB H 2.150 0.011 1
865 234 125 VAL HG1 H 0.972 0.011 2
866 234 125 VAL HG2 H 0.756 0.010 2
867 234 125 VAL CA C 59.960 0.078 1
868 234 125 VAL CB C 35.443 0.066 1
869 234 125 VAL CG1 C 23.601 0.150 2
870 234 125 VAL CG2 C 19.471 0.150 2
871 234 125 VAL N N 110.844 0.032 1
872 235 126 LYS H H 8.671 0.011 1
873 235 126 LYS HA H 4.735 0.011 1
874 235 126 LYS HB2 H 1.542 0.010 2
875 235 126 LYS HG2 H 0.842 0.003 2
876 235 126 LYS HG3 H 0.793 0.004 2
877 235 126 LYS HE2 H 2.653 0.007 2
878 235 126 LYS CA C 55.051 0.054 1
879 235 126 LYS CB C 35.333 0.156 1
880 235 126 LYS CG C 25.350 0.150 1
881 235 126 LYS CD C 30.175 0.150 1
882 235 126 LYS CE C 42.111 0.109 1
883 235 126 LYS N N 122.895 0.045 1
884 236 127 ILE H H 9.344 0.008 1
885 236 127 ILE HA H 5.038 0.016 1
886 236 127 ILE HB H 1.169 0.009 1
887 236 127 ILE HG12 H 0.822 0.014 2
888 236 127 ILE HG2 H 0.716 0.009 1
889 236 127 ILE HD1 H 0.079 0.005 1
890 236 127 ILE CA C 59.730 0.014 1
891 236 127 ILE CB C 42.147 0.088 1
892 236 127 ILE CG2 C 21.233 0.150 1
893 236 127 ILE CD1 C 17.264 0.036 1
894 236 127 ILE N N 125.680 0.031 1
895 237 128 VAL H H 9.056 0.012 1
896 237 128 VAL HA H 4.184 0.010 1
897 237 128 VAL HB H 2.144 0.015 1
898 237 128 VAL HG1 H 1.049 0.010 2
899 237 128 VAL HG2 H 0.914 0.011 2
900 237 128 VAL CA C 62.951 0.020 1
901 237 128 VAL CB C 34.148 0.011 1
902 237 128 VAL N N 133.720 0.029 1
903 238 129 SER H H 8.383 0.011 1
904 238 129 SER HA H 5.339 0.011 1
905 238 129 SER HB2 H 4.432 0.001 2
906 238 129 SER CA C 57.482 0.014 1
907 238 129 SER CB C 69.645 0.055 1
908 238 129 SER N N 115.693 0.028 1
909 239 130 SER H H 9.856 0.009 1
910 239 130 SER HA H 5.740 0.007 1
911 239 130 SER HB2 H 4.210 0.023 2
912 239 130 SER CA C 57.936 0.068 1
913 239 130 SER CB C 67.559 0.023 1
914 239 130 SER N N 116.010 0.066 1
915 240 131 THR H H 9.293 0.006 1
916 240 131 THR HA H 5.298 0.012 1
917 240 131 THR HB H 3.927 0.014 1
918 240 131 THR HG2 H 0.434 0.010 1
919 240 131 THR CA C 59.880 0.123 1
920 240 131 THR CB C 72.641 0.084 1
921 240 131 THR N N 111.657 0.072 1
922 241 132 HIS H H 8.916 0.006 1
923 241 132 HIS HA H 5.123 0.010 1
924 241 132 HIS HB2 H 3.261 0.002 2
925 241 132 HIS HB3 H 2.470 0.008 2
926 241 132 HIS CA C 56.359 0.103 1
927 241 132 HIS CB C 33.995 0.057 1
928 241 132 HIS N N 123.091 0.044 1
929 242 133 PHE H H 8.390 0.004 1
930 242 133 PHE HA H 4.796 0.006 1
931 242 133 PHE HB2 H 3.291 0.005 2
932 242 133 PHE HB3 H 3.141 0.011 2
933 242 133 PHE HD1 H 6.854 0.150 3
934 242 133 PHE CA C 58.138 0.001 1
935 242 133 PHE CB C 41.795 0.150 1
936 242 133 PHE N N 124.924 0.059 1
937 244 135 ASN HA H 4.153 0.015 1
938 244 135 ASN HB2 H 3.047 0.012 2
939 244 135 ASN HB3 H 2.789 0.013 2
940 244 135 ASN CA C 54.793 0.070 1
941 244 135 ASN CB C 38.644 0.082 1
942 245 136 LYS H H 7.367 0.015 1
943 245 136 LYS HA H 4.440 0.010 1
944 245 136 LYS HB2 H 1.727 0.008 2
945 245 136 LYS HG2 H 1.289 0.010 2
946 245 136 LYS HD2 H 1.639 0.004 2
947 245 136 LYS HE2 H 3.058 0.150 2
948 245 136 LYS HE3 H 2.949 0.004 2
949 245 136 LYS CA C 55.623 0.143 1
950 245 136 LYS CB C 35.672 0.031 1
951 245 136 LYS CG C 24.536 0.150 1
952 245 136 LYS CD C 29.648 0.150 1
953 245 136 LYS CE C 42.603 0.150 1
954 245 136 LYS N N 119.085 0.032 1
955 246 137 GLU H H 8.443 0.008 1
956 246 137 GLU HA H 4.940 0.017 1
957 246 137 GLU HB2 H 1.948 0.006 2
958 246 137 GLU HG2 H 2.286 0.007 2
959 246 137 GLU CA C 55.849 0.044 1
960 246 137 GLU CB C 31.178 0.004 1
961 246 137 GLU CG C 37.204 0.150 1
962 246 137 GLU N N 124.807 0.172 1
963 247 138 GLU H H 8.868 0.012 1
964 247 138 GLU HA H 4.516 0.007 1
965 247 138 GLU HB2 H 1.828 0.007 2
966 247 138 GLU CA C 55.826 0.150 1
967 247 138 GLU CB C 31.073 0.150 1
968 247 138 GLU N N 129.638 0.150 1
969 248 139 LYS HA H 4.285 0.004 1
970 248 139 LYS HB2 H 1.752 0.044 2
971 248 139 LYS HD2 H 1.354 0.011 2
972 248 139 LYS HE2 H 2.708 0.150 2
973 248 139 LYS CA C 57.110 0.006 1
974 248 139 LYS CB C 34.254 0.045 1
975 248 139 LYS CG C 26.132 0.150 1
976 248 139 LYS CD C 29.576 0.150 1
977 248 139 LYS CE C 42.135 0.150 1
978 249 140 TYR H H 8.849 0.006 1
979 249 140 TYR HA H 4.902 0.003 1
980 249 140 TYR HB2 H 3.119 0.014 2
981 249 140 TYR HB3 H 2.650 0.009 2
982 249 140 TYR HD1 H 7.061 0.011 3
983 249 140 TYR HE1 H 6.718 0.006 3
984 249 140 TYR CA C 56.754 0.150 1
985 249 140 TYR CB C 38.033 0.150 1
986 249 140 TYR N N 122.913 0.082 1
987 250 141 ASP HA H 4.510 0.005 1
988 250 141 ASP HB2 H 2.707 0.007 2
989 250 141 ASP CA C 56.578 0.150 1
990 250 141 ASP CB C 41.135 0.150 1
991 251 142 TYR H H 7.960 0.004 1
992 251 142 TYR HA H 4.272 0.006 1
993 251 142 TYR HB2 H 2.983 0.012 2
994 251 142 TYR HD1 H 6.956 0.007 3
995 251 142 TYR CA C 60.148 0.013 1
996 251 142 TYR CB C 41.077 0.062 1
997 251 142 TYR N N 117.308 0.017 1
998 252 143 THR H H 7.539 0.004 1
999 252 143 THR HA H 4.507 0.009 1
1000 252 143 THR HB H 3.409 0.007 1
1001 252 143 THR HG2 H 1.281 0.014 1
1002 252 143 THR CA C 63.079 0.056 1
1003 252 143 THR CB C 71.810 0.044 1
1004 252 143 THR CG2 C 22.897 0.150 1
1005 252 143 THR N N 126.814 0.064 1
1006 253 144 LEU H H 9.979 0.009 1
1007 253 144 LEU HA H 4.610 0.007 1
1008 253 144 LEU HB2 H 1.816 0.012 2
1009 253 144 LEU HB3 H 1.374 0.020 2
1010 253 144 LEU HG H 1.183 0.150 1
1011 253 144 LEU HD1 H 0.836 0.016 2
1012 253 144 LEU HD2 H 0.744 0.001 2
1013 253 144 LEU CA C 53.812 0.111 1
1014 253 144 LEU CB C 44.801 0.030 1
1015 253 144 LEU CG C 25.917 0.150 1
1016 253 144 LEU CD1 C 23.507 0.150 2
1017 253 144 LEU N N 130.173 0.079 1
1018 254 145 MET H H 9.148 0.010 1
1019 254 145 MET HA H 5.171 0.012 1
1020 254 145 MET HB2 H 1.951 0.012 2
1021 254 145 MET HG2 H 1.605 0.010 2
1022 254 145 MET HG3 H 1.558 0.010 2
1023 254 145 MET CA C 55.031 0.113 1
1024 254 145 MET CB C 32.939 0.035 1
1025 254 145 MET N N 130.636 0.045 1
1026 255 146 GLU H H 8.658 0.005 1
1027 255 146 GLU HA H 4.691 0.009 1
1028 255 146 GLU HB2 H 1.892 0.015 2
1029 255 146 GLU HB3 H 1.758 0.009 2
1030 255 146 GLU HG2 H 2.194 0.021 2
1031 255 146 GLU CA C 54.940 0.043 1
1032 255 146 GLU CB C 32.774 0.153 1
1033 255 146 GLU CG C 36.929 0.150 1
1034 255 146 GLU N N 126.777 0.049 1
1035 256 147 PHE H H 8.781 0.014 1
1036 256 147 PHE HA H 4.951 0.025 1
1037 256 147 PHE HB2 H 3.539 0.012 2
1038 256 147 PHE HB3 H 3.137 0.014 2
1039 256 147 PHE HD1 H 7.179 0.014 3
1040 256 147 PHE CA C 59.013 0.002 1
1041 256 147 PHE CB C 41.360 0.023 1
1042 256 147 PHE N N 128.145 0.043 1
1043 257 148 ALA H H 8.620 0.004 1
1044 257 148 ALA HA H 4.171 0.013 1
1045 257 148 ALA HB H 1.623 0.004 1
1046 257 148 ALA CA C 55.306 0.050 1
1047 257 148 ALA CB C 20.440 0.029 1
1048 257 148 ALA N N 122.739 0.030 1
1049 258 149 GLN H H 7.655 0.013 1
1050 258 149 GLN HA H 4.866 0.009 1
1051 258 149 GLN HB2 H 2.378 0.024 2
1052 258 149 GLN HB3 H 2.051 0.008 2
1053 258 149 GLN CA C 53.277 0.150 1
1054 258 149 GLN CB C 31.526 0.150 1
1055 258 149 GLN N N 111.209 0.032 1
1056 259 150 PRO HA H 4.285 0.031 1
1057 259 150 PRO HB2 H 1.955 0.003 2
1058 259 150 PRO HB3 H 2.071 0.150 2
1059 259 150 PRO HG2 H 1.431 0.150 2
1060 259 150 PRO CA C 62.374 0.039 1
1061 259 150 PRO CB C 31.537 0.046 1
1062 259 150 PRO CG C 25.533 0.150 1
1063 259 150 PRO CD C 50.846 0.150 1
1064 260 151 ILE H H 8.069 0.006 1
1065 260 151 ILE HA H 3.781 0.012 1
1066 260 151 ILE HB H 1.751 0.010 1
1067 260 151 ILE HG2 H 0.595 0.016 1
1068 260 151 ILE HD1 H 0.199 0.009 1
1069 260 151 ILE CA C 60.220 0.042 1
1070 260 151 ILE CB C 36.541 0.059 1
1071 260 151 ILE CG1 C 27.341 0.150 1
1072 260 151 ILE CG2 C 19.095 0.003 1
1073 260 151 ILE N N 119.137 0.132 1
1074 261 152 TYR H H 6.669 0.007 1
1075 261 152 TYR HA H 5.263 0.014 1
1076 261 152 TYR HB2 H 3.185 0.005 2
1077 261 152 TYR HB3 H 2.315 0.014 2
1078 261 152 TYR CA C 57.085 0.003 1
1079 261 152 TYR CB C 43.842 0.073 1
1080 261 152 TYR N N 123.369 0.043 1
1081 262 153 ASN H H 8.482 0.005 1
1082 262 153 ASN HA H 4.982 0.015 1
1083 262 153 ASN HB2 H 2.923 0.013 2
1084 262 153 ASN CA C 53.413 0.026 1
1085 262 153 ASN CB C 39.568 0.108 1
1086 262 153 ASN N N 116.223 0.045 1
1087 263 154 SER H H 7.132 0.003 1
1088 263 154 SER HA H 4.037 0.011 1
1089 263 154 SER HB2 H 3.714 0.009 2
1090 263 154 SER HB3 H 3.499 0.012 2
1091 263 154 SER CA C 57.117 0.056 1
1092 263 154 SER CB C 65.322 0.052 1
1093 263 154 SER N N 111.621 0.029 1
1094 264 155 ALA H H 8.282 0.006 1
1095 264 155 ALA HA H 3.785 0.003 1
1096 264 155 ALA HB H 1.199 0.010 1
1097 264 155 ALA CA C 55.328 0.071 1
1098 264 155 ALA CB C 18.837 0.063 1
1099 264 155 ALA N N 127.289 0.077 1
1100 265 156 ASP H H 8.210 0.007 1
1101 265 156 ASP HA H 4.379 0.008 1
1102 265 156 ASP HB2 H 2.629 0.009 2
1103 265 156 ASP CA C 55.834 0.078 1
1104 265 156 ASP CB C 40.463 0.080 1
1105 265 156 ASP N N 115.110 0.083 1
1106 266 157 LYS H H 7.248 0.009 1
1107 266 157 LYS HA H 4.100 0.007 1
1108 266 157 LYS HB2 H 1.477 0.014 2
1109 266 157 LYS HG2 H 0.686 0.010 2
1110 266 157 LYS HG3 H 0.536 0.010 2
1111 266 157 LYS HD2 H 1.154 0.011 2
1112 266 157 LYS HE2 H 2.603 0.006 2
1113 266 157 LYS CA C 56.333 0.063 1
1114 266 157 LYS CB C 32.744 0.079 1
1115 266 157 LYS CG C 25.371 0.150 1
1116 266 157 LYS CD C 28.910 0.150 1
1117 266 157 LYS CE C 42.222 0.002 1
1118 266 157 LYS N N 117.695 0.024 1
1119 267 158 PHE H H 7.591 0.005 1
1120 267 158 PHE HA H 4.674 0.007 1
1121 267 158 PHE HB2 H 3.133 0.010 2
1122 267 158 PHE HD1 H 6.834 0.013 3
1123 267 158 PHE CA C 58.314 0.093 1
1124 267 158 PHE CB C 40.614 0.059 1
1125 267 158 PHE N N 118.705 0.032 1
1126 268 159 LYS H H 8.445 0.020 1
1127 268 159 LYS HA H 4.471 0.011 1
1128 268 159 LYS HB2 H 1.872 0.012 2
1129 268 159 LYS HB3 H 1.835 0.006 2
1130 268 159 LYS HG2 H 1.493 0.017 2
1131 268 159 LYS HD2 H 1.728 0.008 2
1132 268 159 LYS HE2 H 3.017 0.009 2
1133 268 159 LYS HE3 H 2.965 0.014 2
1134 268 159 LYS CA C 56.862 0.041 1
1135 268 159 LYS CB C 33.760 0.064 1
1136 268 159 LYS CG C 25.166 0.150 1
1137 268 159 LYS CD C 29.617 0.150 1
1138 268 159 LYS CE C 42.581 0.150 1
1139 268 159 LYS N N 122.517 0.065 1
1140 269 160 THR H H 8.466 0.014 1
1141 269 160 THR HA H 4.991 0.010 1
1142 269 160 THR HB H 4.413 0.016 1
1143 269 160 THR HG2 H 1.227 0.010 1
1144 269 160 THR CA C 62.338 0.026 1
1145 269 160 THR CB C 70.387 0.172 1
1146 269 160 THR CG2 C 22.136 0.150 1
1147 269 160 THR N N 116.933 0.084 1
1148 270 161 GLU H H 8.584 0.011 1
1149 270 161 GLU HA H 4.367 0.008 1
1150 270 161 GLU HB2 H 2.147 0.008 2
1151 270 161 GLU HB3 H 1.967 0.011 2
1152 270 161 GLU HG2 H 2.313 0.009 2
1153 270 161 GLU CA C 57.051 0.089 1
1154 270 161 GLU CB C 30.928 0.022 1
1155 270 161 GLU CG C 36.762 0.003 1
1156 270 161 GLU N N 123.354 0.041 1
1157 271 162 GLU H H 8.378 0.004 1
1158 271 162 GLU HA H 4.343 0.007 1
1159 271 162 GLU HB2 H 2.145 0.003 2
1160 271 162 GLU HB3 H 1.919 0.004 2
1161 271 162 GLU HG2 H 2.287 0.150 2
1162 271 162 GLU CA C 56.942 0.165 1
1163 271 162 GLU CB C 31.289 0.110 1
1164 271 162 GLU CG C 36.780 0.150 1
1165 271 162 GLU N N 121.961 0.029 1
1166 272 163 ASP H H 7.979 0.005 1
1167 272 163 ASP HA H 4.418 0.007 1
1168 272 163 ASP HB2 H 2.598 0.012 2
1169 272 163 ASP CA C 56.619 0.150 1
1170 272 163 ASP CB C 42.831 0.150 1
1171 272 163 ASP N N 127.140 0.039 1
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