data_6810
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Letter to the Editor: Assignment of 1H, 13C and 15N resonances of the last
250 residues in Escherichia coli RcsC, including the phosphoreceiver domain.
;
_BMRB_accession_number 6810
_BMRB_flat_file_name bmr6810.str
_Entry_type original
_Submission_date 2005-09-07
_Accession_date 2005-09-07
_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 Rogov Vladimir . .
2 Loehr Frank . .
3 Rogova Natalia . .
4 Klammt Christian . .
5 Koglin Alexander . .
6 Bernhard Frank . .
7 Doetsch Volker . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 1389
"13C chemical shifts" 1068
"15N chemical shifts" 241
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-11-14 update BMRB 'complete entry citation'
2006-10-19 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letter to the Editor : NMR assignment of (1)H, (13)C and (15)N resonances of
the truncated Escherichia coli RcsC (700-949), including the phosphoreceiver
domain
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 17036162
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Rogov Vladimir V. .
2 Loehr Frank . .
3 Rogova Natalia . .
4 Klammt Christian . .
5 Koglin Alexander . .
6 Bernhard Frank . .
7 Doetsch Volker . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 38
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 165
_Page_last 165
_Year 2006
_Details .
loop_
_Keyword
'cell-free protein biosynthesis'
'sensor kinase'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name C'-RcsC
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
C'-RcsC $RcsC_C-terminal_polypeptide
stop_
_System_molecular_weight 28730
_System_physical_state native
_System_oligomer_state protein
_System_paramagnetic no
_System_thiol_state 'all free'
loop_
_Magnetic_equivalence_ID
_Magnetically_equivalent_system_component
1 C'-RcsC
stop_
loop_
_Biological_function
'aspartate phosphotransferase activity'
stop_
_Database_query_date .
_Details
;
C-terminal part of the E. coli RcsC sensor kinase (residues 700-949) possessing
aspartate phosphotransferase activity
;
save_
########################
# Monomeric polymers #
########################
save_RcsC_C-terminal_polypeptide
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common C'-RcsC
_Molecular_mass 27908
_Mol_thiol_state 'all free'
loop_
_Biological_function
'aspartate phosphotransferase'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 254
_Mol_residue_sequence
;
MGGSGVEGLSGKRCWLAVRN
ASLCQFLETSLQRSGIVVTT
YEGQEPTPEDVLITDEVVSK
KWQGRAVVTFCRRHIGIPLE
KAPGEWVHSVAAPHELPALL
ARIYLIEMESDDPANALPST
DKAVSDNDDMMILVVDDHPI
NRRLLADQLGSLGYQCKTAN
DGVDALNVLSKNHIDIVLSD
VNMPNMDGYRLTQRIRQLGL
TLPVIGVTANALAEEKQRCL
ESGMDSCLSKPVTLDVIKQT
LTLYAERVRKSRDS
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLY 3 GLY 4 SER 5 GLY
6 VAL 7 GLU 8 GLY 9 LEU 10 SER
11 GLY 12 LYS 13 ARG 14 CYS 15 TRP
16 LEU 17 ALA 18 VAL 19 ARG 20 ASN
21 ALA 22 SER 23 LEU 24 CYS 25 GLN
26 PHE 27 LEU 28 GLU 29 THR 30 SER
31 LEU 32 GLN 33 ARG 34 SER 35 GLY
36 ILE 37 VAL 38 VAL 39 THR 40 THR
41 TYR 42 GLU 43 GLY 44 GLN 45 GLU
46 PRO 47 THR 48 PRO 49 GLU 50 ASP
51 VAL 52 LEU 53 ILE 54 THR 55 ASP
56 GLU 57 VAL 58 VAL 59 SER 60 LYS
61 LYS 62 TRP 63 GLN 64 GLY 65 ARG
66 ALA 67 VAL 68 VAL 69 THR 70 PHE
71 CYS 72 ARG 73 ARG 74 HIS 75 ILE
76 GLY 77 ILE 78 PRO 79 LEU 80 GLU
81 LYS 82 ALA 83 PRO 84 GLY 85 GLU
86 TRP 87 VAL 88 HIS 89 SER 90 VAL
91 ALA 92 ALA 93 PRO 94 HIS 95 GLU
96 LEU 97 PRO 98 ALA 99 LEU 100 LEU
101 ALA 102 ARG 103 ILE 104 TYR 105 LEU
106 ILE 107 GLU 108 MET 109 GLU 110 SER
111 ASP 112 ASP 113 PRO 114 ALA 115 ASN
116 ALA 117 LEU 118 PRO 119 SER 120 THR
121 ASP 122 LYS 123 ALA 124 VAL 125 SER
126 ASP 127 ASN 128 ASP 129 ASP 130 MET
131 MET 132 ILE 133 LEU 134 VAL 135 VAL
136 ASP 137 ASP 138 HIS 139 PRO 140 ILE
141 ASN 142 ARG 143 ARG 144 LEU 145 LEU
146 ALA 147 ASP 148 GLN 149 LEU 150 GLY
151 SER 152 LEU 153 GLY 154 TYR 155 GLN
156 CYS 157 LYS 158 THR 159 ALA 160 ASN
161 ASP 162 GLY 163 VAL 164 ASP 165 ALA
166 LEU 167 ASN 168 VAL 169 LEU 170 SER
171 LYS 172 ASN 173 HIS 174 ILE 175 ASP
176 ILE 177 VAL 178 LEU 179 SER 180 ASP
181 VAL 182 ASN 183 MET 184 PRO 185 ASN
186 MET 187 ASP 188 GLY 189 TYR 190 ARG
191 LEU 192 THR 193 GLN 194 ARG 195 ILE
196 ARG 197 GLN 198 LEU 199 GLY 200 LEU
201 THR 202 LEU 203 PRO 204 VAL 205 ILE
206 GLY 207 VAL 208 THR 209 ALA 210 ASN
211 ALA 212 LEU 213 ALA 214 GLU 215 GLU
216 LYS 217 GLN 218 ARG 219 CYS 220 LEU
221 GLU 222 SER 223 GLY 224 MET 225 ASP
226 SER 227 CYS 228 LEU 229 SER 230 LYS
231 PRO 232 VAL 233 THR 234 LEU 235 ASP
236 VAL 237 ILE 238 LYS 239 GLN 240 THR
241 LEU 242 THR 243 LEU 244 TYR 245 ALA
246 GLU 247 ARG 248 VAL 249 ARG 250 LYS
251 SER 252 ARG 253 ASP 254 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2AYX "Solution Structure Of The E.Coli Rcsc C-Terminus (Residues 700-949) Containing Linker Region And Phosphoreceiver Domain" 100.00 254 100.00 100.00 0.00e+00
PDB 2AYZ "Solution Structure Of The E.Coli Rcsc C-Terminus (Residues 817-949) Containing Phosphoreceiver Domain" 52.36 133 100.00 100.00 2.30e-88
DBJ BAB36530 "sensor for ctr capsule biosynthesis [Escherichia coli O157:H7 str. Sakai]" 98.43 933 99.20 100.00 8.85e-174
DBJ BAG78010 "two-component sensor kinase [Escherichia coli SE11]" 98.43 949 99.20 100.00 1.38e-173
DBJ BAI26357 "hybrid sensory kinase RcsC in two-component regulatory system with RcsB and YojN [Escherichia coli O26:H11 str. 11368]" 98.43 933 98.80 99.60 2.42e-172
DBJ BAI31465 "hybrid sensory kinase RcsC in two-component regulatory system with RcsB and YojN [Escherichia coli O103:H2 str. 12009]" 98.43 933 99.20 100.00 1.24e-173
DBJ BAI36786 "hybrid sensory kinase RcsC in two-component regulatory system with RcsB and YojN [Escherichia coli O111:H- str. 11128]" 98.43 933 99.20 100.00 1.20e-173
EMBL CAP76721 "Sensor kinase protein rcsC [Escherichia coli LF82]" 98.43 933 98.40 100.00 1.38e-172
EMBL CAQ32621 "RcsC sensory histidine kinase [Escherichia coli BL21(DE3)]" 98.43 933 99.60 100.00 3.14e-174
EMBL CAQ99146 "hybrid sensory kinase in two-component regulatory system with RcsB and YojN [Escherichia coli IAI1]" 98.43 933 99.20 100.00 1.24e-173
EMBL CAR03647 "hybrid sensory kinase in two-component regulatory system with RcsB and YojN [Escherichia coli S88]" 98.43 933 98.00 99.60 1.41e-171
EMBL CAR08865 "hybrid sensory kinase in two-component regulatory system with RcsB and YojN [Escherichia coli ED1a]" 98.43 933 98.80 100.00 4.36e-173
GB AAA24503 "capsule synthesis regulator component C [Escherichia coli]" 98.43 933 99.60 100.00 3.62e-174
GB AAA24505 "capsular sunthesis regulator component C [Escherichia coli]" 98.43 933 98.40 99.60 2.69e-172
GB AAC75278 "hybrid sensory kinase in two-component regulatory system with RcsB and YojN [Escherichia coli str. K-12 substr. MG1655]" 98.43 949 100.00 100.00 1.17e-174
GB AAG57353 "sensor for ctr capsule biosynthesis, probable histidine kinase acting on RcsB [Escherichia coli O157:H7 str. EDL933]" 98.43 933 99.20 100.00 8.85e-174
GB AAN43820 "sensor for ctr capsule biosynthesis, probable histidine kinase acting on RcsB [Shigella flexneri 2a str. 301]" 98.43 949 98.00 98.80 2.12e-169
REF NP_288798 "hybrid sensory kinase in two-component regulatory system with RcsB and YojN [Escherichia coli O157:H7 str. EDL933]" 98.43 949 99.20 100.00 1.20e-173
REF NP_311134 "hybrid sensory kinase in two-component regulatory system with RcsB and YojN [Escherichia coli O157:H7 str. Sakai]" 98.43 949 99.20 100.00 1.20e-173
REF NP_416722 "hybrid sensory kinase in two-component regulatory system with RcsB and YojN [Escherichia coli str. K-12 substr. MG1655]" 98.43 949 100.00 100.00 1.17e-174
REF NP_708113 "hybrid sensory kinase in two-component regulatory system with RcsB and YojN [Shigella flexneri 2a str. 301]" 98.43 949 98.00 98.80 2.12e-169
REF NP_754647 "hybrid sensory kinase in two-component regulatory system with RcsB and YojN [Escherichia coli CFT073]" 98.43 949 98.40 100.00 2.10e-172
SP P0DMC5 "RecName: Full=Sensor histidine kinase RcsC; AltName: Full=Capsular synthesis regulator component C [Escherichia coli K-12]" 98.43 949 100.00 100.00 1.17e-174
SP P0DMC6 "RecName: Full=Sensor histidine kinase RcsC [Escherichia coli]" 98.43 949 98.40 99.60 4.13e-172
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
_Variant
$RcsC_C-terminal_polypeptide 'Escherichia coli' 562 Eubacteria monera Escherichia coli k12 X1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$RcsC_C-terminal_polypeptide 'recombinant technology' 'E. coli' Escherichia coli M15 plasmid pQE60
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details 'U-15N labeled C'-RcsC'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$RcsC_C-terminal_polypeptide 1 mM . . '[U-95% 15N]'
Tris-HCl 33 mM . . .
NaCl 125 mM . . .
TCEP 1 mM 0.5 2 .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details 'U-13C, U-15N labeled C'-RcsC'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$RcsC_C-terminal_polypeptide 1 mM . . '[U-95% 13C; U-95% 15N]'
Tris-HCl 33 mM . . .
NaCl 125 mM . . .
TCEP 1 mM 0.5 2 .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details 'Ala-15N labeled C'-RcsC'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$RcsC_C-terminal_polypeptide 0.25 mM . . '[95% 15N]-ALA'
Tris-HCl 33 mM . . .
NaCl 125 mM . . .
TCEP 1 mM 0.5 2 .
stop_
save_
save_sample_4
_Saveframe_category sample
_Sample_type solution
_Details 'Asn-15N labeled C'-RcsC'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$RcsC_C-terminal_polypeptide 0.25 mM . . '[95% 15N]-ASN'
Tris-HCl 33 mM . . .
NaCl 125 mM . . .
TCEP 1 mM 0.5 2 .
stop_
save_
save_sample_5
_Saveframe_category sample
_Sample_type solution
_Details 'Asp-15N labeled C'-RcsC'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$RcsC_C-terminal_polypeptide 0.25 mM . . '[95% 15N]-ASP'
Tris-HCl 33 mM . . .
NaCl 125 mM . . .
TCEP 1 mM 0.5 2 .
stop_
save_
save_sample_6
_Saveframe_category sample
_Sample_type solution
_Details 'Arg-15N labeled C'-RcsC'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$RcsC_C-terminal_polypeptide 0.25 mM . . '[95% 15N]-ARG'
Tris-HCl 33 mM . . .
NaCl 125 mM . . .
TCEP 1 mM 0.5 2 .
stop_
save_
save_sample_7
_Saveframe_category sample
_Sample_type solution
_Details 'Cys-15N labeled C'-RcsC'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$RcsC_C-terminal_polypeptide 0.25 mM . . '[95% 15N]-CYS'
Tris-HCl 33 mM . . .
NaCl 125 mM . . .
TCEP 1 mM 0.5 2 .
stop_
save_
save_sample_8
_Saveframe_category sample
_Sample_type solution
_Details 'Gly-15N labeled C'-RcsC'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$RcsC_C-terminal_polypeptide 0.25 mM . . '[95% 15N]-GLY'
Tris-HCl 33 mM . . .
NaCl 125 mM . . .
TCEP 1 mM 0.5 2 .
stop_
save_
save_sample_9
_Saveframe_category sample
_Sample_type solution
_Details 'Ser-15N labeled C'-RcsC'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$RcsC_C-terminal_polypeptide 0.25 mM . . '[95% 15N]-SER'
Tris-HCl 33 mM . . .
NaCl 125 mM . . .
TCEP 1 mM 0.5 2 .
stop_
save_
save_sample_10
_Saveframe_category sample
_Sample_type solution
_Details 'Thr-15N labeled C'-RcsC'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$RcsC_C-terminal_polypeptide 0.25 mM . . '[95% 15N]-THR'
Tris-HCl 33 mM . . .
NaCl 125 mM . . .
TCEP 1 mM 0.5 2 .
stop_
save_
############################
# Computer software used #
############################
save_AURELIA_2-7-5
_Saveframe_category software
_Name AURELIA
_Version 2.7.5
_Details .
save_
save_Sparky_3-110
_Saveframe_category software
_Name SPARKY
_Version 3.110
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_Avance_700_Cryo
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details .
save_
save_DRX_600_Cryo
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1H15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H15N_HSQC
_Sample_label .
save_
save_1H15N_TOCSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H15N_TOCSY
_Sample_label .
save_
save_1H13C15N_(15N_1H)-TROSY-HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H13C15N_(15N_1H)-TROSY-HNCO
_Sample_label .
save_
save_1H13C15N_(15N_1H)-TROSY-HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H13C15N_(15N_1H)-TROSY-HNCACB
_Sample_label .
save_
save_1H13C15N_(HCA)CO(CA)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H13C15N_(HCA)CO(CA)NH
_Sample_label .
save_
save_1H13C15N_H(CC)(CO)NH-TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H13C15N_H(CC)(CO)NH-TOCSY
_Sample_label .
save_
save_1H13C15N_(H)CC(CO)NH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H13C15N_(H)CC(CO)NH-TOCSY
_Sample_label .
save_
save_1H13C15N_H(CDCGCBCACO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H13C15N_H(CDCGCBCACO)NH
_Sample_label .
save_
save_1H13C15N_(H)CD(CGCBCACO)NH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H13C15N_(H)CD(CGCBCACO)NH
_Sample_label .
save_
save_1H13C15N_HC(CN)H-TOCSY_TRP_10
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H13C15N_HC(CN)H-TOCSY_TRP
_Sample_label .
save_
save_1H15N_HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H15N_TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H15N TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H13C15N_(15N_1H)-TROSY-HNCO
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H13C15N [15N,1H]-TROSY-HNCO'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H13C15N_(15N_1H)-TROSY-HNCACB
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H13C15N [15N,1H]-TROSY-HNCACB'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H13C15N_(HCA)CO(CA)NH
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H13C15N (HCA)CO(CA)NH'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H13C15N_H(CC)(CO)NH-TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H13C15N H(CC)(CO)NH-TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H13C15N_(H)CC(CO)NH-TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H13C15N (H)CC(CO)NH-TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H13C15N_H(CDCGCBCACO)NH
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H13C15N H(CDCGCBCACO)NH'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H13C15N_(H)CD(CGCBCACO)NH
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H13C15N (H)CD(CGCBCACO)NH'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1H13C15N_HC(CN)H-TOCSY_TRP
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H13C15N HC(CN)H-TOCSY TRP'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details 'Standard condition for C'-RcsC NMR spectroscopy'
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.5 0.1 pH
pressure 1 0.001 atm
temperature 296 1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_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
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$AURELIA_2-7-5
$Sparky_3-110
stop_
loop_
_Experiment_label
1H15N_HSQC
1H15N_TOCSY
1H13C15N_(15N_1H)-TROSY-HNCO
1H13C15N_(15N_1H)-TROSY-HNCACB
1H13C15N_(HCA)CO(CA)NH
1H13C15N_H(CC)(CO)NH-TOCSY
1H13C15N_(H)CC(CO)NH-TOCSY
1H13C15N_H(CDCGCBCACO)NH
1H13C15N_(H)CD(CGCBCACO)NH
1H13C15N_HC(CN)H-TOCSY_TRP
stop_
loop_
_Sample_label
$sample_1
$sample_3
$sample_4
$sample_5
$sample_6
$sample_7
$sample_8
$sample_9
$sample_10
$sample_2
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name C'-RcsC
_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 C C 176.8 0.1 1
2 1 1 MET CA C 57.1 0.1 1
3 1 1 MET CB C 30.2 0.1 1
4 1 1 MET CG C 36.0 0.1 1
5 2 2 GLY H H 8.59 0.01 1
6 2 2 GLY C C 174.2 0.1 1
7 2 2 GLY CA C 45.6 0.1 1
8 2 2 GLY N N 109.4 0.1 1
9 4 4 SER HA H 3.85 0.01 1
10 4 4 SER C C 175.1 0.1 1
11 4 4 SER CA C 58.2 0.1 1
12 4 4 SER CB C 63.8 0.1 1
13 5 5 GLY H H 8.55 0.01 1
14 5 5 GLY HA2 H 3.97 0.01 1
15 5 5 GLY HA3 H 3.97 0.01 1
16 5 5 GLY C C 174.2 0.1 1
17 5 5 GLY CA C 45.2 0.1 1
18 5 5 GLY N N 111.1 0.1 1
19 6 6 VAL H H 8.07 0.01 1
20 6 6 VAL HA H 4.10 0.01 1
21 6 6 VAL HB H 2.06 0.01 1
22 6 6 VAL HG1 H 0.88 0.01 2
23 6 6 VAL HG2 H 0.88 0.01 2
24 6 6 VAL C C 176.6 0.1 1
25 6 6 VAL CA C 62.2 0.1 1
26 6 6 VAL CB C 32.2 0.1 1
27 6 6 VAL CG1 C 20.3 0.1 1
28 6 6 VAL CG2 C 20.3 0.1 1
29 6 6 VAL N N 119.2 0.1 1
30 7 7 GLU H H 8.67 0.01 1
31 7 7 GLU HA H 4.22 0.01 1
32 7 7 GLU HB2 H 2.04 0.01 2
33 7 7 GLU HB3 H 1.97 0.01 2
34 7 7 GLU HG2 H 2.27 0.01 1
35 7 7 GLU HG3 H 2.27 0.01 1
36 7 7 GLU C C 177.4 0.1 1
37 7 7 GLU CA C 57.5 0.1 1
38 7 7 GLU CB C 29.7 0.1 1
39 7 7 GLU CG C 36.0 0.1 1
40 7 7 GLU N N 125.1 0.1 1
41 8 8 GLY H H 8.40 0.01 1
42 8 8 GLY HA2 H 3.90 0.01 1
43 8 8 GLY HA3 H 3.90 0.01 1
44 8 8 GLY C C 174.4 0.1 1
45 8 8 GLY CA C 45.7 0.1 1
46 8 8 GLY N N 108.5 0.1 1
47 9 9 LEU H H 8.08 0.01 1
48 9 9 LEU HA H 4.02 0.01 1
49 9 9 LEU HB2 H 1.66 0.01 2
50 9 9 LEU HB3 H 1.43 0.01 2
51 9 9 LEU HG H 1.55 0.01 1
52 9 9 LEU HD1 H 0.91 0.01 2
53 9 9 LEU HD2 H 0.65 0.01 2
54 9 9 LEU C C 176.1 0.1 1
55 9 9 LEU CA C 54.7 0.1 1
56 9 9 LEU CB C 41.8 0.1 1
57 9 9 LEU CG C 26.7 0.1 1
58 9 9 LEU CD1 C 25.8 0.1 1
59 9 9 LEU CD2 C 23.4 0.1 1
60 9 9 LEU N N 119.6 0.1 1
61 10 10 SER H H 7.55 0.01 1
62 10 10 SER HA H 4.00 0.01 1
63 10 10 SER HB2 H 3.85 0.01 1
64 10 10 SER HB3 H 3.85 0.01 1
65 10 10 SER C C 176.6 0.1 1
66 10 10 SER CA C 59.9 0.1 1
67 10 10 SER CB C 62.7 0.1 1
68 10 10 SER N N 112.1 0.1 1
69 11 11 GLY H H 8.56 0.01 1
70 11 11 GLY HA2 H 4.18 0.01 2
71 11 11 GLY HA3 H 3.58 0.01 2
72 11 11 GLY C C 174.6 0.1 1
73 11 11 GLY CA C 45.2 0.1 1
74 11 11 GLY N N 113.4 0.1 1
75 12 12 LYS H H 7.64 0.01 1
76 12 12 LYS HA H 4.18 0.01 1
77 12 12 LYS HB2 H 1.64 0.01 2
78 12 12 LYS HB3 H 1.58 0.01 2
79 12 12 LYS HG2 H 0.98 0.01 2
80 12 12 LYS HG3 H 0.48 0.01 2
81 12 12 LYS HD2 H 1.13 0.01 2
82 12 12 LYS HD3 H 0.95 0.01 2
83 12 12 LYS HE2 H 2.43 0.01 1
84 12 12 LYS HE3 H 2.43 0.01 1
85 12 12 LYS C C 174.5 0.1 1
86 12 12 LYS CA C 54.9 0.1 1
87 12 12 LYS CB C 31.2 0.1 1
88 12 12 LYS CG C 24.8 0.1 1
89 12 12 LYS CD C 27.3 0.1 1
90 12 12 LYS CE C 42.2 0.1 1
91 12 12 LYS N N 120.4 0.1 1
92 13 13 ARG H H 8.66 0.01 1
93 13 13 ARG HA H 5.03 0.01 1
94 13 13 ARG HB2 H 1.70 0.01 2
95 13 13 ARG HB3 H 1.52 0.01 2
96 13 13 ARG HG2 H 1.13 0.01 2
97 13 13 ARG HG3 H 0.90 0.01 2
98 13 13 ARG HD2 H 2.66 0.01 2
99 13 13 ARG HD3 H 2.51 0.01 2
100 13 13 ARG C C 175.8 0.1 1
101 13 13 ARG CA C 55.0 0.1 1
102 13 13 ARG CB C 32.2 0.1 1
103 13 13 ARG CG C 26.3 0.1 1
104 13 13 ARG CD C 43.2 0.1 1
105 13 13 ARG N N 121.1 0.1 1
106 14 14 CYS H H 8.50 0.01 1
107 14 14 CYS HA H 5.43 0.01 1
108 14 14 CYS HB2 H 2.47 0.01 1
109 14 14 CYS HB3 H 2.47 0.01 1
110 14 14 CYS C C 172.9 0.1 1
111 14 14 CYS CA C 57.1 0.1 1
112 14 14 CYS CB C 30.8 0.1 1
113 14 14 CYS N N 120.9 0.1 1
114 15 15 TRP H H 9.18 0.01 1
115 15 15 TRP HA H 5.54 0.01 1
116 15 15 TRP HB2 H 3.19 0.01 2
117 15 15 TRP HB3 H 3.02 0.01 2
118 15 15 TRP HD1 H 7.38 0.01 1
119 15 15 TRP HE1 H 11.01 0.01 1
120 15 15 TRP HE3 H 7.48 0.01 1
121 15 15 TRP HZ2 H 7.57 0.01 1
122 15 15 TRP HZ3 H 7.22 0.01 1
123 15 15 TRP HH2 H 7.18 0.01 1
124 15 15 TRP C C 175.6 0.1 1
125 15 15 TRP CA C 54.7 0.1 1
126 15 15 TRP CB C 31.7 0.1 1
127 15 15 TRP CD1 C 124.3 0.1 1
128 15 15 TRP CE3 C 117.4 0.1 1
129 15 15 TRP CZ2 C 112.1 0.1 1
130 15 15 TRP CZ3 C 120.6 0.1 1
131 15 15 TRP CH2 C 122.1 0.1 1
132 15 15 TRP N N 124.5 0.1 1
133 15 15 TRP NE1 N 129.3 0.1 1
134 16 16 LEU H H 9.03 0.01 1
135 16 16 LEU HA H 5.12 0.01 1
136 16 16 LEU HB2 H 1.62 0.01 1
137 16 16 LEU HB3 H 1.62 0.01 1
138 16 16 LEU HG H 1.58 0.01 1
139 16 16 LEU HD1 H 0.81 0.01 2
140 16 16 LEU HD2 H 0.77 0.01 2
141 16 16 LEU C C 176.0 0.1 1
142 16 16 LEU CA C 53.9 0.1 1
143 16 16 LEU CB C 44.4 0.1 1
144 16 16 LEU CG C 27.5 0.1 1
145 16 16 LEU CD1 C 26.1 0.1 1
146 16 16 LEU CD2 C 25.3 0.1 1
147 16 16 LEU N N 122.6 0.1 1
148 17 17 ALA H H 9.40 0.01 1
149 17 17 ALA HA H 5.06 0.01 1
150 17 17 ALA HB H 1.44 0.01 1
151 17 17 ALA C C 175.6 0.1 1
152 17 17 ALA CA C 50.5 0.1 1
153 17 17 ALA CB C 19.5 0.1 1
154 17 17 ALA N N 133.1 0.1 1
155 18 18 VAL H H 8.31 0.01 1
156 18 18 VAL HA H 4.49 0.01 1
157 18 18 VAL HB H 1.79 0.01 1
158 18 18 VAL HG1 H 0.82 0.01 2
159 18 18 VAL HG2 H 0.71 0.01 2
160 18 18 VAL C C 174.5 0.1 1
161 18 18 VAL CA C 60.8 0.1 1
162 18 18 VAL CB C 33.4 0.1 1
163 18 18 VAL CG1 C 21.8 0.1 1
164 18 18 VAL CG2 C 21.8 0.1 1
165 18 18 VAL N N 124.4 0.1 1
166 19 19 ARG H H 10.95 0.01 1
167 19 19 ARG HA H 4.09 0.01 1
168 19 19 ARG HB2 H 1.99 0.01 2
169 19 19 ARG HB3 H 1.94 0.01 2
170 19 19 ARG HG2 H 1.76 0.01 2
171 19 19 ARG HG3 H 1.72 0.01 2
172 19 19 ARG HD2 H 3.17 0.01 1
173 19 19 ARG HD3 H 3.17 0.01 1
174 19 19 ARG C C 177.8 0.1 1
175 19 19 ARG CA C 57.0 0.1 1
176 19 19 ARG CB C 29.9 0.1 1
177 19 19 ARG CG C 26.9 0.1 1
178 19 19 ARG CD C 42.7 0.1 1
179 19 19 ARG N N 131.2 0.1 1
180 20 20 ASN H H 8.42 0.01 1
181 20 20 ASN HA H 4.49 0.01 1
182 20 20 ASN HB2 H 2.88 0.01 2
183 20 20 ASN HB3 H 2.62 0.01 2
184 20 20 ASN C C 175.2 0.1 1
185 20 20 ASN CA C 53.7 0.1 1
186 20 20 ASN CB C 39.0 0.1 1
187 20 20 ASN N N 120.2 0.1 1
188 21 21 ALA H H 8.74 0.01 1
189 21 21 ALA HA H 4.05 0.01 1
190 21 21 ALA HB H 1.47 0.01 1
191 21 21 ALA C C 180.0 0.1 1
192 21 21 ALA CA C 55.6 0.1 1
193 21 21 ALA CB C 18.5 0.1 1
194 21 21 ALA N N 132.5 0.1 1
195 22 22 SER H H 8.18 0.01 1
196 22 22 SER HA H 4.19 0.01 1
197 22 22 SER HB2 H 3.90 0.01 1
198 22 22 SER HB3 H 3.90 0.01 1
199 22 22 SER C C 177.2 0.1 1
200 22 22 SER CA C 61.2 0.1 1
201 22 22 SER CB C 62.3 0.1 1
202 22 22 SER N N 114.0 0.1 1
203 23 23 LEU H H 7.84 0.01 1
204 23 23 LEU HA H 4.14 0.01 1
205 23 23 LEU HB2 H 1.52 0.01 2
206 23 23 LEU HB3 H 1.38 0.01 2
207 23 23 LEU HG H 1.16 0.01 1
208 23 23 LEU HD1 H 0.52 0.01 2
209 23 23 LEU HD2 H 0.56 0.01 2
210 23 23 LEU C C 177.5 0.1 1
211 23 23 LEU CA C 57.1 0.1 1
212 23 23 LEU CB C 41.1 0.1 1
213 23 23 LEU CG C 26.8 0.1 1
214 23 23 LEU CD1 C 25.1 0.1 1
215 23 23 LEU CD2 C 21.7 0.1 1
216 23 23 LEU N N 124.5 0.1 1
217 24 24 CYS H H 8.73 0.01 1
218 24 24 CYS HA H 3.60 0.01 1
219 24 24 CYS HB2 H 3.06 0.01 2
220 24 24 CYS HB3 H 2.71 0.01 2
221 24 24 CYS C C 175.9 0.1 1
222 24 24 CYS CA C 63.6 0.1 1
223 24 24 CYS CB C 26.5 0.1 1
224 24 24 CYS N N 119.3 0.1 1
225 25 25 GLN H H 7.99 0.01 1
226 25 25 GLN HA H 4.09 0.01 1
227 25 25 GLN HB2 H 2.15 0.01 1
228 25 25 GLN HB3 H 2.15 0.01 1
229 25 25 GLN HG2 H 2.53 0.01 2
230 25 25 GLN HG3 H 2.39 0.01 2
231 25 25 GLN HE21 H 7.44 0.01 2
232 25 25 GLN HE22 H 6.82 0.01 2
233 25 25 GLN C C 178.5 0.1 1
234 25 25 GLN CA C 58.8 0.1 1
235 25 25 GLN CB C 28.3 0.1 1
236 25 25 GLN CG C 33.8 0.1 1
237 25 25 GLN N N 116.3 0.1 1
238 25 25 GLN NE2 N 111.8 0.1 1
239 26 26 PHE H H 7.86 0.01 1
240 26 26 PHE HA H 4.14 0.01 1
241 26 26 PHE HB2 H 3.28 0.01 2
242 26 26 PHE HB3 H 3.12 0.01 2
243 26 26 PHE HD1 H 7.11 0.01 1
244 26 26 PHE HD2 H 7.11 0.01 1
245 26 26 PHE HE1 H 7.18 0.01 1
246 26 26 PHE HE2 H 7.18 0.01 1
247 26 26 PHE HZ H 7.19 0.01 1
248 26 26 PHE C C 179.0 0.1 1
249 26 26 PHE CA C 61.3 0.1 1
250 26 26 PHE CB C 39.1 0.1 1
251 26 26 PHE CD1 C 129.0 0.1 1
252 26 26 PHE CD2 C 129.0 0.1 1
253 26 26 PHE CE1 C 128.5 0.1 1
254 26 26 PHE CE2 C 128.5 0.1 1
255 26 26 PHE N N 119.7 0.1 1
256 27 27 LEU H H 8.71 0.01 1
257 27 27 LEU HA H 3.83 0.01 1
258 27 27 LEU HB2 H 2.03 0.01 2
259 27 27 LEU HB3 H 1.03 0.01 2
260 27 27 LEU HG H 1.82 0.01 1
261 27 27 LEU HD1 H 0.41 0.01 2
262 27 27 LEU HD2 H 0.75 0.01 2
263 27 27 LEU C C 178.0 0.1 1
264 27 27 LEU CA C 57.4 0.1 1
265 27 27 LEU CB C 42.1 0.1 1
266 27 27 LEU CG C 27.1 0.1 1
267 27 27 LEU CD1 C 26.3 0.1 1
268 27 27 LEU CD2 C 23.0 0.1 1
269 27 27 LEU N N 121.0 0.1 1
270 28 28 GLU H H 8.70 0.01 1
271 28 28 GLU HA H 3.69 0.01 1
272 28 28 GLU HB2 H 2.11 0.01 2
273 28 28 GLU HB3 H 1.97 0.01 2
274 28 28 GLU HG2 H 2.33 0.01 2
275 28 28 GLU HG3 H 1.99 0.01 2
276 28 28 GLU C C 178.5 0.1 1
277 28 28 GLU CA C 60.8 0.1 1
278 28 28 GLU CB C 29.6 0.1 1
279 28 28 GLU CG C 37.0 0.1 1
280 28 28 GLU N N 118.9 0.1 1
281 29 29 THR H H 7.66 0.01 1
282 29 29 THR HA H 3.95 0.01 1
283 29 29 THR HB H 4.05 0.01 1
284 29 29 THR HG2 H 1.18 0.01 1
285 29 29 THR C C 176.8 0.1 1
286 29 29 THR CA C 65.6 0.1 1
287 29 29 THR CB C 68.9 0.1 1
288 29 29 THR CG2 C 21.5 0.1 1
289 29 29 THR N N 111.8 0.1 1
290 30 30 SER H H 8.18 0.01 1
291 30 30 SER HA H 3.93 0.01 1
292 30 30 SER HB2 H 3.57 0.01 2
293 30 30 SER HB3 H 3.43 0.01 2
294 30 30 SER C C 177.9 0.1 1
295 30 30 SER CA C 61.8 0.1 1
296 30 30 SER CB C 62.7 0.1 1
297 30 30 SER N N 117.2 0.1 1
298 31 31 LEU H H 8.66 0.01 1
299 31 31 LEU HA H 3.99 0.01 1
300 31 31 LEU HB2 H 1.87 0.01 2
301 31 31 LEU HB3 H 1.02 0.01 2
302 31 31 LEU HG H 1.96 0.01 1
303 31 31 LEU HD1 H 0.71 0.01 2
304 31 31 LEU HD2 H 0.69 0.01 2
305 31 31 LEU C C 179.8 0.1 1
306 31 31 LEU CA C 57.7 0.1 1
307 31 31 LEU CB C 39.9 0.1 1
308 31 31 LEU CG C 27.0 0.1 1
309 31 31 LEU CD1 C 25.6 0.1 1
310 31 31 LEU CD2 C 22.2 0.1 1
311 31 31 LEU N N 121.5 0.1 1
312 32 32 GLN H H 7.68 0.01 1
313 32 32 GLN HA H 4.33 0.01 1
314 32 32 GLN HB2 H 2.25 0.01 2
315 32 32 GLN HB3 H 2.14 0.01 2
316 32 32 GLN HG2 H 2.69 0.01 2
317 32 32 GLN HG3 H 2.43 0.01 2
318 32 32 GLN HE21 H 7.32 0.01 2
319 32 32 GLN HE22 H 6.84 0.01 2
320 32 32 GLN C C 180.4 0.1 1
321 32 32 GLN CA C 59.3 0.1 1
322 32 32 GLN CB C 28.2 0.1 1
323 32 32 GLN CG C 34.7 0.1 1
324 32 32 GLN N N 118.8 0.1 1
325 32 32 GLN NE2 N 110.8 0.1 1
326 33 33 ARG H H 7.79 0.01 1
327 33 33 ARG HA H 4.14 0.01 1
328 33 33 ARG HB2 H 1.97 0.01 1
329 33 33 ARG HB3 H 1.97 0.01 1
330 33 33 ARG HG2 H 1.86 0.01 2
331 33 33 ARG HG3 H 1.71 0.01 2
332 33 33 ARG HD2 H 3.18 0.01 1
333 33 33 ARG HD3 H 3.18 0.01 1
334 33 33 ARG C C 177.8 0.1 1
335 33 33 ARG CA C 58.7 0.1 1
336 33 33 ARG CB C 29.5 0.1 1
337 33 33 ARG CG C 27.6 0.1 1
338 33 33 ARG CD C 43.2 0.1 1
339 33 33 ARG N N 119.7 0.1 1
340 34 34 SER H H 7.33 0.01 1
341 34 34 SER HA H 4.52 0.01 1
342 34 34 SER HB2 H 4.07 0.01 2
343 34 34 SER HB3 H 3.87 0.01 2
344 34 34 SER C C 173.3 0.1 1
345 34 34 SER CA C 59.4 0.1 1
346 34 34 SER CB C 64.3 0.1 1
347 34 34 SER N N 113.1 0.1 1
348 35 35 GLY H H 7.80 0.01 1
349 35 35 GLY HA2 H 4.16 0.01 2
350 35 35 GLY HA3 H 3.67 0.01 2
351 35 35 GLY C C 174.2 0.1 1
352 35 35 GLY CA C 45.4 0.1 1
353 35 35 GLY N N 107.2 0.1 1
354 36 36 ILE H H 7.29 0.01 1
355 36 36 ILE HA H 4.02 0.01 1
356 36 36 ILE HB H 1.49 0.01 1
357 36 36 ILE HG12 H 1.32 0.01 2
358 36 36 ILE HG13 H 1.02 0.01 2
359 36 36 ILE HG2 H 0.74 0.01 1
360 36 36 ILE HD1 H 0.81 0.01 1
361 36 36 ILE C C 175.3 0.1 1
362 36 36 ILE CA C 60.5 0.1 1
363 36 36 ILE CB C 38.6 0.1 1
364 36 36 ILE CG1 C 28.9 0.1 1
365 36 36 ILE CG2 C 17.8 0.1 1
366 36 36 ILE CD1 C 14.1 0.1 1
367 36 36 ILE N N 124.0 0.1 1
368 37 37 VAL H H 8.71 0.01 1
369 37 37 VAL HA H 3.85 0.01 1
370 37 37 VAL HB H 1.77 0.01 1
371 37 37 VAL HG1 H 0.84 0.01 2
372 37 37 VAL HG2 H 0.70 0.01 2
373 37 37 VAL C C 174.4 0.1 1
374 37 37 VAL CA C 62.4 0.1 1
375 37 37 VAL CB C 31.5 0.1 1
376 37 37 VAL CG1 C 20.8 0.1 1
377 37 37 VAL CG2 C 20.3 0.1 1
378 37 37 VAL N N 128.6 0.1 1
379 38 38 VAL H H 8.24 0.01 1
380 38 38 VAL HA H 4.86 0.01 1
381 38 38 VAL HB H 1.84 0.01 1
382 38 38 VAL HG1 H 0.83 0.01 2
383 38 38 VAL HG2 H 0.83 0.01 2
384 38 38 VAL C C 175.6 0.1 1
385 38 38 VAL CA C 59.7 0.1 1
386 38 38 VAL CB C 33.3 0.1 1
387 38 38 VAL CG1 C 22.5 0.1 1
388 38 38 VAL CG2 C 22.5 0.1 1
389 38 38 VAL N N 127.2 0.1 1
390 39 39 THR H H 7.90 0.01 1
391 39 39 THR HA H 4.61 0.01 1
392 39 39 THR HB H 3.26 0.01 1
393 39 39 THR HG2 H 1.24 0.01 1
394 39 39 THR C C 173.8 0.1 1
395 39 39 THR CA C 60.6 0.1 1
396 39 39 THR CB C 71.3 0.1 1
397 39 39 THR CG2 C 22.7 0.1 1
398 39 39 THR N N 121.0 0.1 1
399 40 40 THR H H 9.10 0.01 1
400 40 40 THR HA H 4.47 0.01 1
401 40 40 THR HB H 4.14 0.01 1
402 40 40 THR HG2 H 1.33 0.01 1
403 40 40 THR C C 174.0 0.1 1
404 40 40 THR CA C 64.6 0.1 1
405 40 40 THR CB C 69.0 0.1 1
406 40 40 THR CG2 C 22.2 0.1 1
407 40 40 THR N N 124.8 0.1 1
408 41 41 TYR H H 9.40 0.01 1
409 41 41 TYR HA H 4.85 0.01 1
410 41 41 TYR HB2 H 3.00 0.01 1
411 41 41 TYR HB3 H 3.00 0.01 1
412 41 41 TYR HD1 H 6.95 0.01 1
413 41 41 TYR HD2 H 6.95 0.01 1
414 41 41 TYR HE1 H 6.79 0.01 1
415 41 41 TYR HE2 H 6.79 0.01 1
416 41 41 TYR C C 175.2 0.1 1
417 41 41 TYR CA C 59.7 0.1 1
418 41 41 TYR CB C 39.3 0.1 1
419 41 41 TYR CD1 C 130.5 0.1 1
420 41 41 TYR CD2 C 130.5 0.1 1
421 41 41 TYR CE1 C 116.3 0.1 1
422 41 41 TYR CE2 C 116.3 0.1 1
423 41 41 TYR N N 128.3 0.1 1
424 42 42 GLU H H 8.99 0.01 1
425 42 42 GLU HA H 4.39 0.01 1
426 42 42 GLU HB2 H 2.19 0.01 2
427 42 42 GLU HB3 H 1.60 0.01 2
428 42 42 GLU HG2 H 2.06 0.01 1
429 42 42 GLU HG3 H 2.06 0.01 1
430 42 42 GLU C C 175.7 0.1 1
431 42 42 GLU CA C 54.8 0.1 1
432 42 42 GLU CB C 30.6 0.1 1
433 42 42 GLU CG C 36.8 0.1 1
434 42 42 GLU N N 129.6 0.1 1
435 43 43 GLY H H 8.75 0.01 1
436 43 43 GLY HA2 H 3.93 0.01 2
437 43 43 GLY HA3 H 3.23 0.01 2
438 43 43 GLY C C 173.9 0.1 1
439 43 43 GLY CA C 45.5 0.1 1
440 44 44 GLN H H 8.74 0.01 1
441 44 44 GLN HA H 3.84 0.01 1
442 44 44 GLN HB2 H 1.76 0.01 2
443 44 44 GLN HB3 H 1.21 0.01 2
444 44 44 GLN HG2 H 2.81 0.01 2
445 44 44 GLN HG3 H 2.31 0.01 2
446 44 44 GLN HE21 H 7.78 0.01 2
447 44 44 GLN HE22 H 7.15 0.01 2
448 44 44 GLN C C 175.7 0.1 1
449 44 44 GLN CA C 57.7 0.1 1
450 44 44 GLN CB C 27.8 0.1 1
451 44 44 GLN CG C 34.3 0.1 1
452 44 44 GLN N N 121.7 0.1 1
453 44 44 GLN NE2 N 111.6 0.1 1
454 45 45 GLU H H 8.54 0.01 1
455 45 45 GLU HA H 4.42 0.01 1
456 45 45 GLU HB2 H 1.87 0.01 1
457 45 45 GLU HB3 H 1.87 0.01 1
458 45 45 GLU HG2 H 2.19 0.01 1
459 45 45 GLU HG3 H 2.19 0.01 1
460 45 45 GLU C C 174.4 0.1 1
461 45 45 GLU CA C 53.5 0.1 1
462 45 45 GLU CB C 29.2 0.1 1
463 45 45 GLU CG C 35.5 0.1 1
464 45 45 GLU N N 123.8 0.1 1
465 46 46 PRO HA H 4.65 0.01 1
466 46 46 PRO HB2 H 1.92 0.01 2
467 46 46 PRO HB3 H 1.59 0.01 2
468 46 46 PRO HG2 H 0.65 0.01 2
469 46 46 PRO HG3 H -0.20 0.01 2
470 46 46 PRO HD2 H 3.36 0.01 2
471 46 46 PRO HD3 H 3.32 0.01 2
472 46 46 PRO C C 177.1 0.1 1
473 46 46 PRO CA C 61.9 0.1 1
474 46 46 PRO CB C 33.5 0.1 1
475 46 46 PRO CG C 25.3 0.1 1
476 46 46 PRO CD C 49.9 0.1 1
477 47 47 THR H H 8.46 0.01 1
478 47 47 THR HA H 4.86 0.01 1
479 47 47 THR HB H 4.68 0.01 1
480 47 47 THR HG2 H 1.46 0.01 1
481 47 47 THR C C 174.8 0.1 1
482 47 47 THR CA C 60.6 0.1 1
483 47 47 THR CB C 67.9 0.1 1
484 47 47 THR CG2 C 21.4 0.1 1
485 47 47 THR N N 111.5 0.1 1
486 48 48 PRO HA H 4.44 0.01 1
487 48 48 PRO HB2 H 2.29 0.01 2
488 48 48 PRO HB3 H 1.89 0.01 2
489 48 48 PRO HG2 H 2.01 0.01 2
490 48 48 PRO HG3 H 2.12 0.01 2
491 48 48 PRO HD2 H 3.91 0.01 2
492 48 48 PRO HD3 H 3.76 0.01 2
493 48 48 PRO C C 176.4 0.1 1
494 48 48 PRO CA C 64.7 0.1 1
495 48 48 PRO CB C 32.4 0.1 1
496 48 48 PRO CG C 27.2 0.1 1
497 48 48 PRO CD C 50.7 0.1 1
498 49 49 GLU H H 7.55 0.01 1
499 49 49 GLU HA H 4.65 0.01 1
500 49 49 GLU HB2 H 2.54 0.01 2
501 49 49 GLU HB3 H 1.86 0.01 2
502 49 49 GLU HG2 H 2.42 0.01 2
503 49 49 GLU HG3 H 2.29 0.01 2
504 49 49 GLU C C 177.4 0.1 1
505 49 49 GLU CA C 55.8 0.1 1
506 49 49 GLU CB C 31.0 0.1 1
507 49 49 GLU CG C 35.9 0.1 1
508 49 49 GLU N N 111.5 0.1 1
509 50 50 ASP H H 7.78 0.01 1
510 50 50 ASP HA H 5.25 0.01 1
511 50 50 ASP HB2 H 3.32 0.01 2
512 50 50 ASP HB3 H 3.23 0.01 2
513 50 50 ASP C C 177.4 0.1 1
514 50 50 ASP CA C 55.4 0.1 1
515 50 50 ASP CB C 43.0 0.1 1
516 50 50 ASP N N 121.0 0.1 1
517 51 51 VAL H H 8.66 0.01 1
518 51 51 VAL HA H 5.22 0.01 1
519 51 51 VAL HB H 2.39 0.01 1
520 51 51 VAL HG1 H 0.95 0.01 2
521 51 51 VAL HG2 H 0.74 0.01 2
522 51 51 VAL C C 173.8 0.1 1
523 51 51 VAL CA C 61.3 0.1 1
524 51 51 VAL CB C 34.9 0.1 1
525 51 51 VAL CG1 C 22.9 0.1 1
526 51 51 VAL CG2 C 21.4 0.1 1
527 51 51 VAL N N 124.7 0.1 1
528 52 52 LEU H H 7.81 0.01 1
529 52 52 LEU HA H 4.68 0.01 1
530 52 52 LEU HB2 H 0.36 0.01 2
531 52 52 LEU HB3 H -1.22 0.01 2
532 52 52 LEU HG H 0.68 0.01 1
533 52 52 LEU HD1 H 0.11 0.01 2
534 52 52 LEU HD2 H 0.04 0.01 2
535 52 52 LEU C C 173.4 0.1 1
536 52 52 LEU CA C 53.3 0.1 1
537 52 52 LEU CB C 41.3 0.1 1
538 52 52 LEU CG C 26.5 0.1 1
539 52 52 LEU CD1 C 25.0 0.1 1
540 52 52 LEU CD2 C 21.6 0.1 1
541 52 52 LEU N N 128.6 0.1 1
542 53 53 ILE H H 9.01 0.01 1
543 53 53 ILE HA H 5.04 0.01 1
544 53 53 ILE HB H 1.95 0.01 1
545 53 53 ILE HG12 H 1.36 0.01 2
546 53 53 ILE HG13 H 1.13 0.01 2
547 53 53 ILE HG2 H 0.85 0.01 1
548 53 53 ILE HD1 H 0.81 0.01 1
549 53 53 ILE C C 174.2 0.1 1
550 53 53 ILE CA C 58.6 0.1 1
551 53 53 ILE CB C 38.0 0.1 1
552 53 53 ILE CG1 C 27.4 0.1 1
553 53 53 ILE CG2 C 18.7 0.1 1
554 53 53 ILE CD1 C 14.1 0.1 1
555 53 53 ILE N N 126.4 0.1 1
556 54 54 THR H H 9.26 0.01 1
557 54 54 THR HA H 5.14 0.01 1
558 54 54 THR HB H 3.88 0.01 1
559 54 54 THR HG2 H 1.11 0.01 1
560 54 54 THR C C 171.5 0.1 1
561 54 54 THR CA C 58.2 0.1 1
562 54 54 THR CB C 71.9 0.1 1
563 54 54 THR CG2 C 18.9 0.1 1
564 54 54 THR N N 120.3 0.1 1
565 55 55 ASP H H 8.32 0.01 1
566 55 55 ASP HA H 5.34 0.01 1
567 55 55 ASP HB2 H 3.39 0.01 2
568 55 55 ASP HB3 H 2.31 0.01 2
569 55 55 ASP C C 175.0 0.1 1
570 55 55 ASP CA C 52.8 0.1 1
571 55 55 ASP CB C 41.7 0.1 1
572 55 55 ASP N N 123.4 0.1 1
573 56 56 GLU H H 8.31 0.01 1
574 56 56 GLU HA H 4.75 0.01 1
575 56 56 GLU HB2 H 2.10 0.01 2
576 56 56 GLU HB3 H 1.91 0.01 2
577 56 56 GLU HG2 H 2.38 0.01 2
578 56 56 GLU HG3 H 2.30 0.01 2
579 56 56 GLU C C 175.1 0.1 1
580 56 56 GLU CA C 54.7 0.1 1
581 56 56 GLU CB C 33.6 0.1 1
582 56 56 GLU CG C 36.2 0.1 1
583 56 56 GLU N N 120.5 0.1 1
584 57 57 VAL H H 8.30 0.01 1
585 57 57 VAL HA H 3.88 0.01 1
586 57 57 VAL HB H 1.99 0.01 1
587 57 57 VAL HG1 H 0.97 0.01 2
588 57 57 VAL HG2 H 0.90 0.01 2
589 57 57 VAL C C 176.6 0.1 1
590 57 57 VAL CA C 63.2 0.1 1
591 57 57 VAL CB C 32.0 0.1 1
592 57 57 VAL CG1 C 21.1 0.1 1
593 57 57 VAL CG2 C 20.9 0.1 1
594 57 57 VAL N N 120.2 0.1 1
595 58 58 VAL H H 8.33 0.01 1
596 58 58 VAL HA H 4.23 0.01 1
597 58 58 VAL HB H 2.12 0.01 1
598 58 58 VAL HG1 H 0.99 0.01 2
599 58 58 VAL HG2 H 0.93 0.01 2
600 58 58 VAL C C 176.4 0.1 1
601 58 58 VAL CA C 61.6 0.1 1
602 58 58 VAL CB C 32.8 0.1 1
603 58 58 VAL CG1 C 21.8 0.1 1
604 58 58 VAL CG2 C 20.7 0.1 1
605 58 58 VAL N N 126.0 0.1 1
606 59 59 SER H H 8.31 0.01 1
607 59 59 SER HA H 4.40 0.01 1
608 59 59 SER HB2 H 4.29 0.01 1
609 59 59 SER HB3 H 4.29 0.01 1
610 59 59 SER C C 173.9 0.1 1
611 59 59 SER CA C 59.2 0.1 1
612 59 59 SER CB C 63.2 0.1 1
613 59 59 SER N N 115.6 0.1 1
614 60 60 LYS H H 7.53 0.01 1
615 60 60 LYS HA H 4.43 0.01 1
616 60 60 LYS HB2 H 1.79 0.01 2
617 60 60 LYS HB3 H 1.71 0.01 2
618 60 60 LYS HG2 H 1.37 0.01 1
619 60 60 LYS HG3 H 1.37 0.01 1
620 60 60 LYS HD2 H 1.68 0.01 1
621 60 60 LYS HD3 H 1.68 0.01 1
622 60 60 LYS HE2 H 2.99 0.01 1
623 60 60 LYS HE3 H 2.99 0.01 1
624 60 60 LYS C C 175.2 0.1 1
625 60 60 LYS CA C 54.9 0.1 1
626 60 60 LYS CB C 34.3 0.1 1
627 60 60 LYS CG C 24.1 0.1 1
628 60 60 LYS CD C 29.0 0.1 1
629 60 60 LYS CE C 42.0 0.1 1
630 60 60 LYS N N 121.3 0.1 1
631 61 61 LYS H H 8.35 0.01 1
632 61 61 LYS HA H 4.09 0.01 1
633 61 61 LYS HB2 H 1.73 0.01 2
634 61 61 LYS HB3 H 1.67 0.01 2
635 61 61 LYS HG2 H 1.34 0.01 1
636 61 61 LYS HG3 H 1.34 0.01 1
637 61 61 LYS HD2 H 1.71 0.01 2
638 61 61 LYS HD3 H 1.62 0.01 2
639 61 61 LYS HE2 H 2.97 0.01 1
640 61 61 LYS HE3 H 2.97 0.01 1
641 61 61 LYS C C 176.6 0.1 1
642 61 61 LYS CA C 56.6 0.1 1
643 61 61 LYS CB C 32.0 0.1 1
644 61 61 LYS CG C 24.2 0.1 1
645 61 61 LYS CD C 28.6 0.1 1
646 61 61 LYS CE C 42.2 0.1 1
647 61 61 LYS N N 123.5 0.1 1
648 62 62 TRP H H 9.07 0.01 1
649 62 62 TRP HA H 4.81 0.01 1
650 62 62 TRP HB2 H 3.14 0.01 2
651 62 62 TRP HB3 H 3.01 0.01 2
652 62 62 TRP HD1 H 6.72 0.01 1
653 62 62 TRP HE1 H 9.26 0.01 1
654 62 62 TRP HE3 H 6.54 0.01 1
655 62 62 TRP HZ2 H 7.01 0.01 1
656 62 62 TRP HZ3 H 7.73 0.01 1
657 62 62 TRP HH2 H 6.42 0.01 1
658 62 62 TRP C C 177.0 0.1 1
659 62 62 TRP CA C 56.4 0.1 1
660 62 62 TRP CB C 31.0 0.1 1
661 62 62 TRP CD1 C 124.8 0.1 1
662 62 62 TRP CE3 C 120.3 0.1 1
663 62 62 TRP CZ2 C 111.0 0.1 1
664 62 62 TRP CZ3 C 121.0 0.1 1
665 62 62 TRP CH2 C 122.8 0.1 1
666 62 62 TRP N N 129.5 0.1 1
667 62 62 TRP NE1 N 126.2 0.1 1
668 63 63 GLN H H 8.03 0.01 1
669 63 63 GLN HA H 4.24 0.01 1
670 63 63 GLN HB2 H 2.19 0.01 2
671 63 63 GLN HB3 H 1.26 0.01 2
672 63 63 GLN HG2 H 2.26 0.01 2
673 63 63 GLN HG3 H 2.19 0.01 2
674 63 63 GLN HE21 H 7.72 0.01 2
675 63 63 GLN HE22 H 6.94 0.01 2
676 63 63 GLN C C 175.3 0.1 1
677 63 63 GLN CA C 55.2 0.1 1
678 63 63 GLN CB C 28.0 0.1 1
679 63 63 GLN CG C 33.7 0.1 1
680 63 63 GLN N N 124.8 0.1 1
681 63 63 GLN NE2 N 113.4 0.1 1
682 64 64 GLY HA2 H 4.67 0.01 2
683 64 64 GLY HA3 H 3.36 0.01 2
684 64 64 GLY C C 172.9 0.1 1
685 64 64 GLY CA C 44.9 0.1 1
686 65 65 ARG H H 8.52 0.01 1
687 65 65 ARG HA H 4.14 0.01 1
688 65 65 ARG HB2 H 2.14 0.01 2
689 65 65 ARG HB3 H 1.31 0.01 2
690 65 65 ARG HG2 H 1.53 0.01 2
691 65 65 ARG HG3 H 1.30 0.01 2
692 65 65 ARG HD2 H 3.14 0.01 2
693 65 65 ARG HD3 H 3.01 0.01 2
694 65 65 ARG C C 176.6 0.1 1
695 65 65 ARG CA C 58.3 0.1 1
696 65 65 ARG CB C 31.2 0.1 1
697 65 65 ARG CG C 27.1 0.1 1
698 65 65 ARG CD C 43.0 0.1 1
699 65 65 ARG N N 123.5 0.1 1
700 66 66 ALA H H 7.34 0.01 1
701 66 66 ALA HA H 5.31 0.01 1
702 66 66 ALA HB H 1.45 0.01 1
703 66 66 ALA C C 174.1 0.1 1
704 66 66 ALA CA C 51.0 0.1 1
705 66 66 ALA CB C 23.2 0.1 1
706 66 66 ALA N N 113.4 0.1 1
707 67 67 VAL H H 8.88 0.01 1
708 67 67 VAL HA H 4.86 0.01 1
709 67 67 VAL HB H 1.82 0.01 1
710 67 67 VAL HG1 H 0.78 0.01 2
711 67 67 VAL HG2 H 0.84 0.01 2
712 67 67 VAL C C 174.5 0.1 1
713 67 67 VAL CA C 59.9 0.1 1
714 67 67 VAL CB C 35.1 0.1 1
715 67 67 VAL CG1 C 22.0 0.1 1
716 67 67 VAL CG2 C 20.8 0.1 1
717 67 67 VAL N N 120.0 0.1 1
718 68 68 VAL H H 9.20 0.01 1
719 68 68 VAL HA H 4.41 0.01 1
720 68 68 VAL HB H 1.92 0.01 1
721 68 68 VAL HG1 H 0.41 0.01 2
722 68 68 VAL HG2 H 0.47 0.01 2
723 68 68 VAL C C 173.9 0.1 1
724 68 68 VAL CA C 61.1 0.1 1
725 68 68 VAL CB C 33.2 0.1 1
726 68 68 VAL CG1 C 21.1 0.1 1
727 68 68 VAL CG2 C 19.5 0.1 1
728 68 68 VAL N N 126.5 0.1 1
729 69 69 THR H H 8.98 0.01 1
730 69 69 THR HA H 5.05 0.01 1
731 69 69 THR HB H 3.94 0.01 1
732 69 69 THR HG2 H 0.97 0.01 1
733 69 69 THR C C 174.8 0.1 1
734 69 69 THR CA C 60.8 0.1 1
735 69 69 THR CB C 69.6 0.1 1
736 69 69 THR CG2 C 21.1 0.1 1
737 69 69 THR N N 124.6 0.1 1
738 70 70 PHE H H 9.37 0.01 1
739 70 70 PHE HA H 4.82 0.01 1
740 70 70 PHE HB2 H 2.78 0.01 2
741 70 70 PHE HB3 H 2.67 0.01 2
742 70 70 PHE HD1 H 7.05 0.01 1
743 70 70 PHE HD2 H 7.05 0.01 1
744 70 70 PHE HE1 H 6.91 0.01 1
745 70 70 PHE HE2 H 6.91 0.01 1
746 70 70 PHE HZ H 6.57 0.01 1
747 70 70 PHE C C 175.4 0.1 1
748 70 70 PHE CA C 58.2 0.1 1
749 70 70 PHE CB C 40.1 0.1 1
750 70 70 PHE CD1 C 128.5 0.1 1
751 70 70 PHE CD2 C 128.5 0.1 1
752 70 70 PHE CE1 C 128.3 0.1 1
753 70 70 PHE CE2 C 128.3 0.1 1
754 70 70 PHE CZ C 125.7 0.1 1
755 70 70 PHE N N 126.9 0.1 1
756 71 71 CYS H H 8.50 0.01 1
757 71 71 CYS HA H 4.65 0.01 1
758 71 71 CYS HB2 H 2.67 0.01 1
759 71 71 CYS HB3 H 2.67 0.01 1
760 71 71 CYS C C 176.1 0.1 1
761 71 71 CYS CA C 54.1 0.1 1
762 71 71 CYS CB C 36.7 0.1 1
763 71 71 CYS N N 127.4 0.1 1
764 72 72 ARG H H 8.81 0.01 1
765 72 72 ARG HA H 3.95 0.01 1
766 72 72 ARG HB2 H 1.94 0.01 2
767 72 72 ARG HB3 H 1.71 0.01 2
768 72 72 ARG HG2 H 1.70 0.01 1
769 72 72 ARG HG3 H 1.70 0.01 1
770 72 72 ARG HD2 H 3.21 0.01 1
771 72 72 ARG HD3 H 3.21 0.01 1
772 72 72 ARG C C 179.4 0.1 1
773 72 72 ARG CA C 57.9 0.1 1
774 72 72 ARG CB C 30.0 0.1 1
775 72 72 ARG CG C 26.5 0.1 1
776 72 72 ARG CD C 43.2 0.1 1
777 73 73 ARG H H 8.27 0.01 1
778 73 73 ARG HA H 4.31 0.01 1
779 73 73 ARG HB2 H 2.00 0.01 2
780 73 73 ARG HB3 H 1.65 0.01 2
781 73 73 ARG HG2 H 1.65 0.01 1
782 73 73 ARG HG3 H 1.65 0.01 1
783 73 73 ARG HD2 H 3.15 0.01 1
784 73 73 ARG HD3 H 3.15 0.01 1
785 73 73 ARG C C 178.3 0.1 1
786 73 73 ARG CA C 56.0 0.1 1
787 73 73 ARG CB C 30.1 0.1 1
788 73 73 ARG CG C 27.6 0.1 1
789 73 73 ARG CD C 43.2 0.1 1
790 73 73 ARG N N 120.0 0.1 1
791 74 74 HIS H H 7.49 0.01 1
792 74 74 HIS HA H 4.35 0.01 1
793 74 74 HIS HB2 H 2.99 0.01 2
794 74 74 HIS HB3 H 2.84 0.01 2
795 74 74 HIS HD2 H 6.94 0.01 1
796 74 74 HIS C C 174.0 0.1 1
797 74 74 HIS CA C 57.9 0.1 1
798 74 74 HIS CB C 32.4 0.1 1
799 74 74 HIS CD2 C 117.4 0.1 1
800 74 74 HIS N N 120.6 0.1 1
801 75 75 ILE H H 7.40 0.01 1
802 75 75 ILE HA H 4.23 0.01 1
803 75 75 ILE HB H 1.64 0.01 1
804 75 75 ILE HG12 H 1.34 0.01 2
805 75 75 ILE HG13 H 1.07 0.01 2
806 75 75 ILE HG2 H 0.77 0.01 1
807 75 75 ILE HD1 H 0.75 0.01 1
808 75 75 ILE C C 175.4 0.1 1
809 75 75 ILE CA C 59.1 0.1 1
810 75 75 ILE CB C 39.9 0.1 1
811 75 75 ILE CG1 C 26.4 0.1 1
812 75 75 ILE CG2 C 17.3 0.1 1
813 75 75 ILE CD1 C 12.2 0.1 1
814 75 75 ILE N N 125.7 0.1 1
815 76 76 GLY H H 8.04 0.01 1
816 76 76 GLY HA2 H 4.15 0.01 2
817 76 76 GLY HA3 H 3.70 0.01 2
818 76 76 GLY C C 173.8 0.1 1
819 76 76 GLY CA C 43.5 0.1 1
820 76 76 GLY N N 112.1 0.1 1
821 77 77 ILE H H 7.78 0.01 1
822 77 77 ILE HA H 4.31 0.01 1
823 77 77 ILE HB H 2.11 0.01 1
824 77 77 ILE HG12 H 1.42 0.01 2
825 77 77 ILE HG13 H 1.24 0.01 2
826 77 77 ILE HG2 H 1.06 0.01 1
827 77 77 ILE HD1 H 0.94 0.01 1
828 77 77 ILE C C 174.3 0.1 1
829 77 77 ILE CA C 60.8 0.1 1
830 77 77 ILE CB C 36.5 0.1 1
831 77 77 ILE CG1 C 25.0 0.1 1
832 77 77 ILE CG2 C 17.5 0.1 1
833 77 77 ILE CD1 C 13.9 0.1 1
834 77 77 ILE N N 115.8 0.1 1
835 78 78 PRO HA H 4.72 0.01 1
836 78 78 PRO HB2 H 2.18 0.01 2
837 78 78 PRO HB3 H 1.92 0.01 2
838 78 78 PRO HG2 H 1.54 0.01 1
839 78 78 PRO HG3 H 1.54 0.01 1
840 78 78 PRO HD2 H 3.80 0.01 2
841 78 78 PRO HD3 H 3.54 0.01 2
842 78 78 PRO C C 175.4 0.1 1
843 78 78 PRO CA C 64.0 0.1 1
844 78 78 PRO CB C 32.7 0.1 1
845 78 78 PRO CG C 27.0 0.1 1
846 78 78 PRO CD C 50.7 0.1 1
847 79 79 LEU H H 8.00 0.01 1
848 79 79 LEU HA H 4.71 0.01 1
849 79 79 LEU HB2 H 1.50 0.01 2
850 79 79 LEU HB3 H 1.41 0.01 2
851 79 79 LEU HG H 1.36 0.01 1
852 79 79 LEU HD1 H 0.88 0.01 2
853 79 79 LEU HD2 H 0.88 0.01 2
854 79 79 LEU C C 174.1 0.1 1
855 79 79 LEU CA C 53.2 0.1 1
856 79 79 LEU CB C 46.8 0.1 1
857 79 79 LEU CG C 26.6 0.1 1
858 79 79 LEU CD1 C 24.8 0.1 1
859 79 79 LEU CD2 C 24.0 0.1 1
860 79 79 LEU N N 121.9 0.1 1
861 80 80 GLU H H 8.48 0.01 1
862 80 80 GLU HA H 3.60 0.01 1
863 80 80 GLU HB2 H 1.35 0.01 2
864 80 80 GLU HB3 H -0.57 0.01 2
865 80 80 GLU HG2 H 1.50 0.01 2
866 80 80 GLU HG3 H 0.28 0.01 2
867 80 80 GLU C C 175.7 0.1 1
868 80 80 GLU CA C 54.3 0.1 1
869 80 80 GLU CB C 26.9 0.1 1
870 80 80 GLU CG C 36.0 0.1 1
871 80 80 GLU N N 130.0 0.1 1
872 81 81 LYS H H 8.17 0.01 1
873 81 81 LYS HA H 3.84 0.01 1
874 81 81 LYS HB2 H 1.62 0.01 1
875 81 81 LYS HB3 H 1.62 0.01 1
876 81 81 LYS HG2 H 1.30 0.01 2
877 81 81 LYS HG3 H 1.26 0.01 2
878 81 81 LYS HD2 H 1.54 0.01 1
879 81 81 LYS HD3 H 1.54 0.01 1
880 81 81 LYS HE2 H 2.84 0.01 1
881 81 81 LYS HE3 H 2.84 0.01 1
882 81 81 LYS C C 175.5 0.1 1
883 81 81 LYS CA C 57.7 0.1 1
884 81 81 LYS CB C 32.5 0.1 1
885 81 81 LYS CG C 24.3 0.1 1
886 81 81 LYS CD C 28.7 0.1 1
887 81 81 LYS CE C 40.9 0.1 1
888 81 81 LYS N N 129.8 0.1 1
889 82 82 ALA H H 8.19 0.01 1
890 82 82 ALA HA H 4.38 0.01 1
891 82 82 ALA HB H 1.23 0.01 1
892 82 82 ALA C C 175.1 0.1 1
893 82 82 ALA CA C 49.9 0.1 1
894 82 82 ALA CB C 18.6 0.1 1
895 82 82 ALA N N 121.7 0.1 1
896 83 83 PRO HA H 4.06 0.01 1
897 83 83 PRO HB2 H 2.22 0.01 2
898 83 83 PRO HB3 H 1.87 0.01 2
899 83 83 PRO HG2 H 1.52 0.01 1
900 83 83 PRO HG3 H 1.52 0.01 1
901 83 83 PRO HD2 H 3.62 0.01 2
902 83 83 PRO HD3 H 3.45 0.01 2
903 83 83 PRO C C 178.7 0.1 1
904 83 83 PRO CA C 64.7 0.1 1
905 83 83 PRO CB C 30.8 0.1 1
906 83 83 PRO CG C 27.8 0.1 1
907 83 83 PRO CD C 49.3 0.1 1
908 84 84 GLY H H 10.07 0.01 1
909 84 84 GLY HA2 H 4.33 0.01 2
910 84 84 GLY HA3 H 4.02 0.01 2
911 84 84 GLY C C 173.6 0.1 1
912 84 84 GLY CA C 46.2 0.1 1
913 84 84 GLY N N 115.7 0.1 1
914 85 85 GLU H H 8.62 0.01 1
915 85 85 GLU HA H 5.02 0.01 1
916 85 85 GLU HB2 H 1.81 0.01 2
917 85 85 GLU HB3 H 1.73 0.01 2
918 85 85 GLU HG2 H 2.01 0.01 1
919 85 85 GLU HG3 H 2.01 0.01 1
920 85 85 GLU C C 173.9 0.1 1
921 85 85 GLU CA C 55.3 0.1 1
922 85 85 GLU CB C 30.7 0.1 1
923 85 85 GLU CG C 35.6 0.1 1
924 85 85 GLU N N 122.9 0.1 1
925 86 86 TRP H H 9.10 0.01 1
926 86 86 TRP HA H 5.37 0.01 1
927 86 86 TRP HB2 H 3.09 0.01 2
928 86 86 TRP HB3 H 2.88 0.01 2
929 86 86 TRP HD1 H 6.82 0.01 1
930 86 86 TRP HE1 H 10.49 0.01 1
931 86 86 TRP HE3 H 7.05 0.01 1
932 86 86 TRP HZ2 H 7.26 0.01 1
933 86 86 TRP HZ3 H 6.80 0.01 1
934 86 86 TRP HH2 H 7.03 0.01 1
935 86 86 TRP C C 176.6 0.1 1
936 86 86 TRP CA C 55.8 0.1 1
937 86 86 TRP CB C 32.3 0.1 1
938 86 86 TRP CD1 C 122.8 0.1 1
939 86 86 TRP CE3 C 117.4 0.1 1
940 86 86 TRP CZ2 C 112.1 0.1 1
941 86 86 TRP CZ3 C 119.7 0.1 1
942 86 86 TRP CH2 C 122.1 0.1 1
943 86 86 TRP N N 123.2 0.1 1
944 86 86 TRP NE1 N 129.9 0.1 1
945 87 87 VAL H H 9.31 0.01 1
946 87 87 VAL HA H 5.04 0.01 1
947 87 87 VAL HB H 1.53 0.01 1
948 87 87 VAL HG1 H 0.72 0.01 2
949 87 87 VAL HG2 H 0.60 0.01 2
950 87 87 VAL C C 172.7 0.1 1
951 87 87 VAL CA C 60.1 0.1 1
952 87 87 VAL CB C 34.1 0.1 1
953 87 87 VAL CG1 C 21.1 0.1 1
954 87 87 VAL CG2 C 21.0 0.1 1
955 87 87 VAL N N 122.9 0.1 1
956 88 88 HIS H H 8.65 0.01 1
957 88 88 HIS HA H 4.47 0.01 1
958 88 88 HIS HB2 H 1.83 0.01 2
959 88 88 HIS HB3 H 1.47 0.01 2
960 88 88 HIS HD2 H 6.30 0.01 1
961 88 88 HIS HE2 H 11.71 0.01 1
962 88 88 HIS C C 174.4 0.1 1
963 88 88 HIS CA C 54.0 0.1 1
964 88 88 HIS CB C 33.9 0.1 1
965 88 88 HIS CD2 C 114.2 0.1 1
966 88 88 HIS N N 125.9 0.1 1
967 88 88 HIS NE2 N 167.4 0.1 1
968 89 89 SER H H 9.78 0.01 1
969 89 89 SER HA H 4.98 0.01 1
970 89 89 SER HB2 H 4.19 0.01 2
971 89 89 SER HB3 H 3.92 0.01 2
972 89 89 SER C C 178.4 0.1 1
973 89 89 SER CA C 58.0 0.1 1
974 89 89 SER CB C 64.3 0.1 1
975 89 89 SER N N 120.4 0.1 1
976 90 90 VAL H H 8.65 0.01 1
977 90 90 VAL HA H 4.30 0.01 1
978 90 90 VAL HB H 2.30 0.01 1
979 90 90 VAL HG1 H 1.07 0.01 2
980 90 90 VAL HG2 H 1.07 0.01 2
981 90 90 VAL C C 175.1 0.1 1
982 90 90 VAL CA C 63.2 0.1 1
983 90 90 VAL CB C 32.0 0.1 1
984 90 90 VAL CG1 C 21.5 0.1 1
985 90 90 VAL CG2 C 21.5 0.1 1
986 90 90 VAL N N 122.6 0.1 1
987 91 91 ALA H H 8.24 0.01 1
988 91 91 ALA HA H 4.25 0.01 1
989 91 91 ALA HB H 1.45 0.01 1
990 91 91 ALA C C 177.6 0.1 1
991 91 91 ALA CA C 53.5 0.1 1
992 91 91 ALA CB C 18.2 0.1 1
993 91 91 ALA N N 121.5 0.1 1
994 92 92 ALA H H 7.22 0.01 1
995 92 92 ALA HA H 4.99 0.01 1
996 92 92 ALA HB H 1.13 0.01 1
997 92 92 ALA C C 174.8 0.1 1
998 92 92 ALA CA C 49.7 0.1 1
999 92 92 ALA CB C 18.8 0.1 1
1000 92 92 ALA N N 117.9 0.1 1
1001 93 93 PRO HA H 4.27 0.01 1
1002 93 93 PRO HB2 H 1.80 0.01 1
1003 93 93 PRO HB3 H 1.80 0.01 1
1004 93 93 PRO HG2 H 1.60 0.01 2
1005 93 93 PRO HG3 H 1.50 0.01 2
1006 93 93 PRO HD2 H 3.73 0.01 2
1007 93 93 PRO HD3 H 3.58 0.01 2
1008 93 93 PRO CA C 62.1 0.1 1
1009 93 93 PRO CB C 32.7 0.1 1
1010 93 93 PRO CG C 29.5 0.1 1
1011 93 93 PRO CD C 49.4 0.1 1
1012 94 94 HIS H H 7.96 0.01 1
1013 94 94 HIS HA H 4.61 0.01 1
1014 94 94 HIS HB2 H 3.36 0.01 2
1015 94 94 HIS HB3 H 3.15 0.01 2
1016 94 94 HIS HD2 H 7.10 0.01 1
1017 94 94 HIS C C 175.9 0.1 1
1018 94 94 HIS CA C 57.6 0.1 1
1019 94 94 HIS CB C 29.9 0.1 1
1020 94 94 HIS CD2 C 116.1 0.1 1
1021 94 94 HIS N N 123.1 0.1 1
1022 95 95 GLU H H 7.41 0.01 1
1023 95 95 GLU HA H 4.46 0.01 1
1024 95 95 GLU HB2 H 1.96 0.01 2
1025 95 95 GLU HB3 H 1.66 0.01 2
1026 95 95 GLU HG2 H 1.96 0.01 2
1027 95 95 GLU HG3 H 1.66 0.01 2
1028 95 95 GLU C C 177.9 0.1 1
1029 95 95 GLU CA C 56.2 0.1 1
1030 95 95 GLU CB C 29.3 0.1 1
1031 95 95 GLU CG C 36.3 0.1 1
1032 95 95 GLU N N 118.6 0.1 1
1033 96 96 LEU H H 7.49 0.01 1
1034 96 96 LEU HA H 4.38 0.01 1
1035 96 96 LEU HB2 H 2.04 0.01 2
1036 96 96 LEU HB3 H 1.37 0.01 2
1037 96 96 LEU HG H 1.46 0.01 1
1038 96 96 LEU HD1 H 1.02 0.01 2
1039 96 96 LEU HD2 H 0.78 0.01 2
1040 96 96 LEU C C 174.6 0.1 1
1041 96 96 LEU CA C 59.0 0.1 1
1042 96 96 LEU CB C 39.0 0.1 1
1043 96 96 LEU CD2 C 23.6 0.1 1
1044 96 96 LEU N N 123.0 0.1 1
1045 97 97 PRO HA H 3.91 0.01 1
1046 97 97 PRO HB2 H 2.14 0.01 2
1047 97 97 PRO HB3 H 1.87 0.01 2
1048 97 97 PRO HG2 H 1.63 0.01 2
1049 97 97 PRO HG3 H 1.54 0.01 2
1050 97 97 PRO HD2 H 4.18 0.01 2
1051 97 97 PRO HD3 H 3.87 0.01 2
1052 97 97 PRO C C 176.6 0.1 1
1053 97 97 PRO CA C 67.3 0.1 1
1054 97 97 PRO CB C 30.4 0.1 1
1055 97 97 PRO CG C 28.8 0.1 1
1056 97 97 PRO CD C 49.9 0.1 1
1057 98 98 ALA H H 7.47 0.01 1
1058 98 98 ALA HA H 4.10 0.01 1
1059 98 98 ALA HB H 1.47 0.01 1
1060 98 98 ALA C C 180.6 0.1 1
1061 98 98 ALA CA C 54.9 0.1 1
1062 98 98 ALA CB C 17.9 0.1 1
1063 98 98 ALA N N 118.1 0.1 1
1064 99 99 LEU H H 7.40 0.01 1
1065 99 99 LEU HA H 4.08 0.01 1
1066 99 99 LEU HB2 H 1.89 0.01 2
1067 99 99 LEU HB3 H 1.58 0.01 2
1068 99 99 LEU HG H 0.76 0.01 1
1069 99 99 LEU HD1 H 0.45 0.01 2
1070 99 99 LEU HD2 H -0.37 0.01 2
1071 99 99 LEU C C 178.7 0.1 1
1072 99 99 LEU CA C 56.8 0.1 1
1073 99 99 LEU CB C 40.7 0.1 1
1074 99 99 LEU CG C 26.7 0.1 1
1075 99 99 LEU CD1 C 26.2 0.1 1
1076 99 99 LEU CD2 C 20.5 0.1 1
1077 99 99 LEU N N 119.4 0.1 1
1078 100 100 LEU H H 8.12 0.01 1
1079 100 100 LEU HA H 3.66 0.01 1
1080 100 100 LEU HB2 H 1.98 0.01 2
1081 100 100 LEU HB3 H 1.26 0.01 2
1082 100 100 LEU HG H 1.62 0.01 1
1083 100 100 LEU HD1 H 0.77 0.01 2
1084 100 100 LEU HD2 H 0.63 0.01 2
1085 100 100 LEU C C 177.8 0.1 1
1086 100 100 LEU CA C 57.7 0.1 1
1087 100 100 LEU CB C 40.8 0.1 1
1088 100 100 LEU CG C 26.5 0.1 1
1089 100 100 LEU CD1 C 26.9 0.1 1
1090 100 100 LEU CD2 C 22.3 0.1 1
1091 100 100 LEU N N 117.5 0.1 1
1092 101 101 ALA H H 8.23 0.01 1
1093 101 101 ALA HA H 3.96 0.01 1
1094 101 101 ALA HB H 1.45 0.01 1
1095 101 101 ALA C C 178.9 0.1 1
1096 101 101 ALA CA C 55.4 0.1 1
1097 101 101 ALA CB C 17.5 0.1 1
1098 101 101 ALA N N 119.4 0.1 1
1099 102 102 ARG H H 7.06 0.01 1
1100 102 102 ARG HA H 4.11 0.01 1
1101 102 102 ARG HB2 H 1.94 0.01 2
1102 102 102 ARG HB3 H 1.92 0.01 2
1103 102 102 ARG HG2 H 1.80 0.01 2
1104 102 102 ARG HG3 H 1.59 0.01 2
1105 102 102 ARG HD2 H 3.14 0.01 1
1106 102 102 ARG HD3 H 3.14 0.01 1
1107 102 102 ARG C C 179.7 0.1 1
1108 102 102 ARG CA C 58.6 0.1 1
1109 102 102 ARG CB C 29.8 0.1 1
1110 102 102 ARG CG C 26.8 0.1 1
1111 102 102 ARG CD C 43.8 0.1 1
1112 102 102 ARG N N 117.2 0.1 1
1113 103 103 ILE H H 8.16 0.01 1
1114 103 103 ILE HA H 3.53 0.01 1
1115 103 103 ILE HB H 1.50 0.01 1
1116 103 103 ILE HG12 H 1.10 0.01 2
1117 103 103 ILE HG13 H 0.66 0.01 2
1118 103 103 ILE HG2 H 0.25 0.01 1
1119 103 103 ILE HD1 H -0.09 0.01 1
1120 103 103 ILE C C 177.7 0.1 1
1121 103 103 ILE CA C 65.1 0.1 1
1122 103 103 ILE CB C 38.2 0.1 1
1123 103 103 ILE CG1 C 29.0 0.1 1
1124 103 103 ILE CG2 C 16.1 0.1 1
1125 103 103 ILE CD1 C 13.5 0.1 1
1126 103 103 ILE N N 121.9 0.1 1
1127 104 104 TYR H H 8.07 0.01 1
1128 104 104 TYR HA H 4.36 0.01 1
1129 104 104 TYR HB2 H 3.19 0.01 2
1130 104 104 TYR HB3 H 2.57 0.01 2
1131 104 104 TYR HD1 H 7.11 0.01 1
1132 104 104 TYR HD2 H 7.11 0.01 1
1133 104 104 TYR HE1 H 6.77 0.01 1
1134 104 104 TYR HE2 H 6.77 0.01 1
1135 104 104 TYR C C 174.8 0.1 1
1136 104 104 TYR CA C 59.9 0.1 1
1137 104 104 TYR CB C 38.2 0.1 1
1138 104 104 TYR CD1 C 130.3 0.1 1
1139 104 104 TYR CD2 C 130.3 0.1 1
1140 104 104 TYR CE1 C 115.2 0.1 1
1141 104 104 TYR CE2 C 115.2 0.1 1
1142 104 104 TYR N N 115.9 0.1 1
1143 105 105 LEU H H 7.70 0.01 1
1144 105 105 LEU HA H 4.14 0.01 1
1145 105 105 LEU HB2 H 1.99 0.01 2
1146 105 105 LEU HB3 H 1.63 0.01 2
1147 105 105 LEU HG H 1.58 0.01 1
1148 105 105 LEU HD1 H 0.93 0.01 2
1149 105 105 LEU HD2 H 0.92 0.01 2
1150 105 105 LEU C C 176.7 0.1 1
1151 105 105 LEU CA C 55.7 0.1 1
1152 105 105 LEU CB C 39.7 0.1 1
1153 105 105 LEU CG C 26.8 0.1 1
1154 105 105 LEU CD1 C 25.2 0.1 1
1155 105 105 LEU CD2 C 23.4 0.1 1
1156 105 105 LEU N N 118.6 0.1 1
1157 106 106 ILE H H 8.00 0.01 1
1158 106 106 ILE HA H 4.12 0.01 1
1159 106 106 ILE HB H 1.85 0.01 1
1160 106 106 ILE HG12 H 1.47 0.01 2
1161 106 106 ILE HG13 H 1.18 0.01 2
1162 106 106 ILE HG2 H 0.88 0.01 1
1163 106 106 ILE HD1 H 0.78 0.01 1
1164 106 106 ILE C C 176.1 0.1 1
1165 106 106 ILE CA C 60.8 0.1 1
1166 106 106 ILE CB C 38.5 0.1 1
1167 106 106 ILE CG1 C 27.3 0.1 1
1168 106 106 ILE CG2 C 17.5 0.1 1
1169 106 106 ILE CD1 C 12.9 0.1 1
1170 106 106 ILE N N 119.3 0.1 1
1171 107 107 GLU H H 8.44 0.01 1
1172 107 107 GLU HA H 4.28 0.01 1
1173 107 107 GLU HB2 H 2.02 0.01 2
1174 107 107 GLU HB3 H 1.90 0.01 2
1175 107 107 GLU HG2 H 2.27 0.01 2
1176 107 107 GLU HG3 H 2.21 0.01 2
1177 107 107 GLU C C 176.1 0.1 1
1178 107 107 GLU CA C 56.2 0.1 1
1179 107 107 GLU CB C 30.1 0.1 1
1180 107 107 GLU CG C 36.1 0.1 1
1181 107 107 GLU N N 125.2 0.1 1
1182 108 108 MET H H 8.44 0.01 1
1183 108 108 MET HA H 4.49 0.01 1
1184 108 108 MET HB2 H 2.06 0.01 2
1185 108 108 MET HB3 H 1.95 0.01 2
1186 108 108 MET HG2 H 2.56 0.01 2
1187 108 108 MET HG3 H 2.49 0.01 2
1188 108 108 MET C C 176.1 0.1 1
1189 108 108 MET CA C 55.2 0.1 1
1190 108 108 MET CB C 33.4 0.1 1
1191 108 108 MET CG C 31.8 0.1 1
1192 108 108 MET N N 122.5 0.1 1
1193 109 109 GLU H H 8.58 0.01 1
1194 109 109 GLU HA H 4.31 0.01 1
1195 109 109 GLU HB2 H 2.07 0.01 2
1196 109 109 GLU HB3 H 1.95 0.01 2
1197 109 109 GLU HG2 H 2.26 0.01 1
1198 109 109 GLU HG3 H 2.26 0.01 1
1199 109 109 GLU C C 176.4 0.1 1
1200 109 109 GLU CA C 56.5 0.1 1
1201 109 109 GLU CB C 30.2 0.1 1
1202 109 109 GLU CG C 36.0 0.1 1
1203 109 109 GLU N N 122.7 0.1 1
1204 110 110 SER H H 8.40 0.01 1
1205 110 110 SER HA H 4.45 0.01 1
1206 110 110 SER HB2 H 3.87 0.01 1
1207 110 110 SER HB3 H 3.87 0.01 1
1208 110 110 SER C C 174.1 0.1 1
1209 110 110 SER CA C 58.0 0.1 1
1210 110 110 SER CB C 63.9 0.1 1
1211 110 110 SER N N 116.9 0.1 1
1212 111 111 ASP H H 8.39 0.01 1
1213 111 111 ASP HA H 4.62 0.01 1
1214 111 111 ASP HB2 H 2.65 0.01 1
1215 111 111 ASP HB3 H 2.65 0.01 1
1216 111 111 ASP C C 175.5 0.1 1
1217 111 111 ASP CA C 53.8 0.1 1
1218 111 111 ASP CB C 41.1 0.1 1
1219 111 111 ASP N N 122.7 0.1 1
1220 112 112 ASP H H 8.16 0.01 1
1221 112 112 ASP HA H 4.80 0.01 1
1222 112 112 ASP HB2 H 2.75 0.01 2
1223 112 112 ASP HB3 H 2.53 0.01 2
1224 112 112 ASP C C 175.1 0.1 1
1225 112 112 ASP CA C 52.1 0.1 1
1226 112 112 ASP CB C 41.4 0.1 1
1227 112 112 ASP N N 121.6 0.1 1
1228 113 113 PRO HA H 4.37 0.01 1
1229 113 113 PRO HB2 H 2.29 0.01 2
1230 113 113 PRO HB3 H 1.96 0.01 2
1231 113 113 PRO HG2 H 1.95 0.01 1
1232 113 113 PRO HG3 H 1.95 0.01 1
1233 113 113 PRO HD2 H 3.45 0.01 2
1234 113 113 PRO HD3 H 3.38 0.01 2
1235 113 113 PRO C C 177.4 0.1 1
1236 113 113 PRO CA C 63.7 0.1 1
1237 113 113 PRO CB C 31.8 0.1 1
1238 113 113 PRO CG C 27.2 0.1 1
1239 113 113 PRO CD C 50.5 0.1 1
1240 114 114 ALA H H 8.46 0.01 1
1241 114 114 ALA HA H 4.20 0.01 1
1242 114 114 ALA HB H 1.35 0.01 1
1243 114 114 ALA C C 178.0 0.1 1
1244 114 114 ALA CA C 53.0 0.1 1
1245 114 114 ALA CB C 18.6 0.1 1
1246 114 114 ALA N N 122.1 0.1 1
1247 115 115 ASN H H 8.04 0.01 1
1248 115 115 ASN HA H 4.69 0.01 1
1249 115 115 ASN HB2 H 2.81 0.01 2
1250 115 115 ASN HB3 H 2.70 0.01 2
1251 115 115 ASN HD21 H 7.71 0.01 2
1252 115 115 ASN HD22 H 6.92 0.01 2
1253 115 115 ASN C C 174.7 0.1 1
1254 115 115 ASN CA C 53.0 0.1 1
1255 115 115 ASN CB C 38.9 0.1 1
1256 115 115 ASN N N 116.3 0.1 1
1257 115 115 ASN ND2 N 113.2 0.1 1
1258 116 116 ALA H H 7.90 0.01 1
1259 116 116 ALA HA H 4.30 0.01 1
1260 116 116 ALA HB H 1.36 0.01 1
1261 116 116 ALA C C 177.3 0.1 1
1262 116 116 ALA CA C 52.1 0.1 1
1263 116 116 ALA CB C 19.3 0.1 1
1264 116 116 ALA N N 123.7 0.1 1
1265 117 117 LEU H H 8.33 0.01 1
1266 117 117 LEU HA H 4.58 0.01 1
1267 117 117 LEU HB2 H 1.53 0.01 1
1268 117 117 LEU HB3 H 1.53 0.01 1
1269 117 117 LEU HG H 0.93 0.01 1
1270 117 117 LEU HD1 H 0.93 0.01 2
1271 117 117 LEU HD2 H 0.93 0.01 2
1272 117 117 LEU C C 175.3 0.1 1
1273 117 117 LEU CA C 52.7 0.1 1
1274 117 117 LEU CB C 41.5 0.1 1
1275 117 117 LEU N N 123.2 0.1 1
1276 118 118 PRO HA H 4.44 0.01 1
1277 118 118 PRO HB2 H 2.28 0.01 2
1278 118 118 PRO HB3 H 1.91 0.01 2
1279 118 118 PRO HG2 H 1.95 0.01 1
1280 118 118 PRO HG3 H 1.95 0.01 1
1281 118 118 PRO HD2 H 3.83 0.01 2
1282 118 118 PRO HD3 H 3.63 0.01 2
1283 118 118 PRO C C 177.0 0.1 1
1284 118 118 PRO CA C 62.9 0.1 1
1285 118 118 PRO CB C 31.9 0.1 1
1286 118 118 PRO CG C 27.3 0.1 1
1287 118 118 PRO CD C 50.4 0.1 1
1288 119 119 SER H H 8.45 0.01 1
1289 119 119 SER HA H 4.45 0.01 1
1290 119 119 SER HB2 H 3.89 0.01 1
1291 119 119 SER HB3 H 3.89 0.01 1
1292 119 119 SER C C 175.0 0.1 1
1293 119 119 SER CA C 58.0 0.1 1
1294 119 119 SER CB C 63.6 0.1 1
1295 119 119 SER N N 116.2 0.1 1
1296 120 120 THR H H 8.25 0.01 1
1297 120 120 THR HA H 4.41 0.01 1
1298 120 120 THR HB H 4.31 0.01 1
1299 120 120 THR HG2 H 1.14 0.01 1
1300 120 120 THR C C 174.2 0.1 1
1301 120 120 THR CA C 61.7 0.1 1
1302 120 120 THR CB C 69.5 0.1 1
1303 120 120 THR CG2 C 21.3 0.1 1
1304 120 120 THR N N 115.6 0.1 1
1305 121 121 ASP H H 8.32 0.01 1
1306 121 121 ASP HA H 4.54 0.01 1
1307 121 121 ASP HB2 H 2.67 0.01 2
1308 121 121 ASP HB3 H 2.57 0.01 2
1309 121 121 ASP C C 176.0 0.1 1
1310 121 121 ASP CA C 54.3 0.1 1
1311 121 121 ASP CB C 41.0 0.1 1
1312 121 121 ASP N N 122.9 0.1 1
1313 122 122 LYS H H 8.18 0.01 1
1314 122 122 LYS HA H 4.25 0.01 1
1315 122 122 LYS HB2 H 1.80 0.01 1
1316 122 122 LYS HB3 H 1.80 0.01 1
1317 122 122 LYS HG2 H 1.37 0.01 1
1318 122 122 LYS HG3 H 1.37 0.01 1
1319 122 122 LYS HE2 H 2.92 0.01 1
1320 122 122 LYS HE3 H 2.92 0.01 1
1321 122 122 LYS C C 176.0 0.1 1
1322 122 122 LYS CA C 56.0 0.1 1
1323 122 122 LYS CB C 32.8 0.1 1
1324 122 122 LYS CG C 24.3 0.1 1
1325 122 122 LYS CD C 28.8 0.1 1
1326 122 122 LYS CE C 42.0 0.1 1
1327 122 122 LYS N N 121.7 0.1 1
1328 123 123 ALA H H 8.34 0.01 1
1329 123 123 ALA HA H 4.28 0.01 1
1330 123 123 ALA HB H 1.35 0.01 1
1331 123 123 ALA C C 177.7 0.1 1
1332 123 123 ALA CA C 52.2 0.1 1
1333 123 123 ALA CB C 19.1 0.1 1
1334 123 123 ALA N N 125.5 0.1 1
1335 124 124 VAL H H 8.09 0.01 1
1336 124 124 VAL HA H 4.10 0.01 1
1337 124 124 VAL HB H 2.05 0.01 1
1338 124 124 VAL HG1 H 0.90 0.01 2
1339 124 124 VAL HG2 H 0.90 0.01 2
1340 124 124 VAL C C 176.2 0.1 1
1341 124 124 VAL CA C 62.2 0.1 1
1342 124 124 VAL CB C 32.7 0.1 1
1343 124 124 VAL CG1 C 20.3 0.1 1
1344 124 124 VAL CG2 C 20.3 0.1 1
1345 124 124 VAL N N 119.3 0.1 1
1346 125 125 SER H H 8.34 0.01 1
1347 125 125 SER HA H 4.45 0.01 1
1348 125 125 SER HB2 H 3.85 0.01 2
1349 125 125 SER HB3 H 3.78 0.01 2
1350 125 125 SER C C 174.4 0.1 1
1351 125 125 SER CA C 58.0 0.1 1
1352 125 125 SER CB C 63.8 0.1 1
1353 125 125 SER N N 118.8 0.1 1
1354 126 126 ASP H H 8.31 0.01 1
1355 126 126 ASP HA H 4.53 0.01 1
1356 126 126 ASP HB2 H 2.75 0.01 2
1357 126 126 ASP HB3 H 2.65 0.01 2
1358 126 126 ASP C C 175.9 0.1 1
1359 126 126 ASP CA C 54.6 0.1 1
1360 126 126 ASP CB C 40.8 0.1 1
1361 126 126 ASP N N 122.6 0.1 1
1362 127 127 ASN H H 8.10 0.01 1
1363 127 127 ASN HA H 4.58 0.01 1
1364 127 127 ASN HB2 H 2.27 0.01 2
1365 127 127 ASN HB3 H 2.06 0.01 2
1366 127 127 ASN HD21 H 7.00 0.01 2
1367 127 127 ASN HD22 H 6.70 0.01 2
1368 127 127 ASN C C 174.5 0.1 1
1369 127 127 ASN CA C 52.9 0.1 1
1370 127 127 ASN CB C 38.6 0.1 1
1371 127 127 ASN N N 117.0 0.1 1
1372 128 128 ASP H H 7.99 0.01 1
1373 128 128 ASP HA H 4.51 0.01 1
1374 128 128 ASP HB2 H 2.75 0.01 2
1375 128 128 ASP HB3 H 2.67 0.01 2
1376 128 128 ASP C C 175.6 0.1 1
1377 128 128 ASP CA C 55.2 0.1 1
1378 128 128 ASP CB C 40.8 0.1 1
1379 128 128 ASP N N 118.8 0.1 1
1380 129 129 ASP H H 8.43 0.01 1
1381 129 129 ASP HA H 4.51 0.01 1
1382 129 129 ASP HB2 H 2.75 0.01 2
1383 129 129 ASP HB3 H 2.64 0.01 2
1384 129 129 ASP C C 175.4 0.1 1
1385 129 129 ASP CA C 53.7 0.1 1
1386 129 129 ASP CB C 40.6 0.1 1
1387 129 129 ASP N N 118.2 0.1 1
1388 130 130 MET H H 7.95 0.01 1
1389 130 130 MET HA H 4.96 0.01 1
1390 130 130 MET HB2 H 2.26 0.01 2
1391 130 130 MET HB3 H 1.99 0.01 2
1392 130 130 MET HG2 H 2.53 0.01 2
1393 130 130 MET HG3 H 2.51 0.01 2
1394 130 130 MET C C 173.7 0.1 1
1395 130 130 MET CA C 53.6 0.1 1
1396 130 130 MET CB C 35.1 0.1 1
1397 130 130 MET CG C 32.1 0.1 1
1398 130 130 MET N N 121.2 0.1 1
1399 131 131 MET H H 10.23 0.01 1
1400 131 131 MET HA H 5.14 0.01 1
1401 131 131 MET HB2 H 2.00 0.01 1
1402 131 131 MET HB3 H 2.00 0.01 1
1403 131 131 MET HG2 H 2.81 0.01 2
1404 131 131 MET HG3 H 2.20 0.01 2
1405 131 131 MET C C 175.0 0.1 1
1406 131 131 MET CA C 53.3 0.1 1
1407 131 131 MET CB C 32.1 0.1 1
1408 131 131 MET CG C 32.2 0.1 1
1409 131 131 MET N N 125.2 0.1 1
1410 132 132 ILE H H 8.97 0.01 1
1411 132 132 ILE HA H 4.84 0.01 1
1412 132 132 ILE HB H 1.94 0.01 1
1413 132 132 ILE HG12 H 1.27 0.01 2
1414 132 132 ILE HG13 H 1.17 0.01 2
1415 132 132 ILE HG2 H 0.57 0.01 1
1416 132 132 ILE HD1 H 0.38 0.01 1
1417 132 132 ILE C C 174.5 0.1 1
1418 132 132 ILE CA C 58.5 0.1 1
1419 132 132 ILE CB C 38.5 0.1 1
1420 132 132 ILE CG1 C 28.2 0.1 1
1421 132 132 ILE CG2 C 17.9 0.1 1
1422 132 132 ILE CD1 C 13.5 0.1 1
1423 132 132 ILE N N 130.8 0.1 1
1424 133 133 LEU H H 8.69 0.01 1
1425 133 133 LEU HA H 5.00 0.01 1
1426 133 133 LEU HB2 H 1.82 0.01 2
1427 133 133 LEU HB3 H 1.12 0.01 2
1428 133 133 LEU HG H 1.78 0.01 1
1429 133 133 LEU HD1 H 0.64 0.01 2
1430 133 133 LEU HD2 H 0.64 0.01 2
1431 133 133 LEU C C 173.7 0.1 1
1432 133 133 LEU CA C 52.7 0.1 1
1433 133 133 LEU CB C 45.3 0.1 1
1434 133 133 LEU CG C 26.5 0.1 1
1435 133 133 LEU CD1 C 23.6 0.1 1
1436 133 133 LEU CD2 C 23.6 0.1 1
1437 133 133 LEU N N 127.2 0.1 1
1438 134 134 VAL H H 8.85 0.01 1
1439 134 134 VAL HA H 4.68 0.01 1
1440 134 134 VAL HB H 1.87 0.01 1
1441 134 134 VAL HG1 H 0.79 0.01 2
1442 134 134 VAL HG2 H 0.94 0.01 2
1443 134 134 VAL C C 174.1 0.1 1
1444 134 134 VAL CA C 61.5 0.1 1
1445 134 134 VAL CB C 33.6 0.1 1
1446 134 134 VAL CG1 C 22.4 0.1 1
1447 134 134 VAL CG2 C 21.7 0.1 1
1448 134 134 VAL N N 128.6 0.1 1
1449 135 135 VAL H H 8.90 0.01 1
1450 135 135 VAL HA H 4.69 0.01 1
1451 135 135 VAL HB H 2.25 0.01 1
1452 135 135 VAL HG1 H 0.61 0.01 2
1453 135 135 VAL HG2 H 0.61 0.01 2
1454 135 135 VAL C C 174.8 0.1 1
1455 135 135 VAL CA C 60.0 0.1 1
1456 135 135 VAL CB C 31.7 0.1 1
1457 135 135 VAL CG1 C 21.4 0.1 1
1458 135 135 VAL CG2 C 21.4 0.1 1
1459 135 135 VAL N N 127.3 0.1 1
1460 136 136 ASP H H 7.90 0.01 1
1461 136 136 ASP HA H 4.51 0.01 1
1462 136 136 ASP HB2 H 2.76 0.01 2
1463 136 136 ASP HB3 H 2.27 0.01 2
1464 136 136 ASP C C 174.8 0.1 1
1465 136 136 ASP CA C 55.2 0.1 1
1466 136 136 ASP CB C 42.7 0.1 1
1467 136 136 ASP N N 123.7 0.1 1
1468 137 137 ASP H H 9.09 0.01 1
1469 137 137 ASP HA H 4.69 0.01 1
1470 137 137 ASP HB2 H 2.84 0.01 2
1471 137 137 ASP HB3 H 2.66 0.01 2
1472 137 137 ASP C C 175.7 0.1 1
1473 137 137 ASP CA C 54.7 0.1 1
1474 137 137 ASP CB C 41.7 0.1 1
1475 137 137 ASP N N 126.5 0.1 1
1476 138 138 HIS H H 8.98 0.01 1
1477 138 138 HIS HA H 4.72 0.01 1
1478 138 138 HIS HB2 H 3.30 0.01 2
1479 138 138 HIS HB3 H 3.10 0.01 2
1480 138 138 HIS C C 174.4 0.1 1
1481 138 138 HIS CA C 54.8 0.1 1
1482 138 138 HIS CB C 32.3 0.1 1
1483 138 138 HIS N N 126.3 0.1 1
1484 139 139 PRO HA H 4.04 0.01 1
1485 139 139 PRO HB2 H 2.30 0.01 2
1486 139 139 PRO HB3 H 1.98 0.01 2
1487 139 139 PRO HG2 H 1.53 0.01 1
1488 139 139 PRO HG3 H 1.53 0.01 1
1489 139 139 PRO HD2 H 3.37 0.01 1
1490 139 139 PRO HD3 H 3.37 0.01 1
1491 139 139 PRO C C 179.3 0.1 1
1492 139 139 PRO CA C 65.1 0.1 1
1493 139 139 PRO CB C 32.1 0.1 1
1494 139 139 PRO CG C 27.6 0.1 1
1495 139 139 PRO CD C 50.6 0.1 1
1496 140 140 ILE H H 8.12 0.01 1
1497 140 140 ILE HA H 3.93 0.01 1
1498 140 140 ILE HB H 1.97 0.01 1
1499 140 140 ILE HG12 H 1.62 0.01 2
1500 140 140 ILE HG13 H 1.32 0.01 2
1501 140 140 ILE HG2 H 0.88 0.01 1
1502 140 140 ILE HD1 H 0.93 0.01 1
1503 140 140 ILE C C 178.2 0.1 1
1504 140 140 ILE CA C 63.5 0.1 1
1505 140 140 ILE CB C 37.2 0.1 1
1506 140 140 ILE CG1 C 28.5 0.1 1
1507 140 140 ILE CG2 C 11.6 0.1 1
1508 140 140 ILE CD1 C 17.0 0.1 1
1509 140 140 ILE N N 119.1 0.1 1
1510 141 141 ASN H H 8.71 0.01 1
1511 141 141 ASN HA H 4.38 0.01 1
1512 141 141 ASN HB2 H 2.81 0.01 2
1513 141 141 ASN HB3 H 2.72 0.01 2
1514 141 141 ASN HD21 H 7.98 0.01 2
1515 141 141 ASN C C 175.3 0.1 1
1516 141 141 ASN CA C 56.2 0.1 1
1517 141 141 ASN CB C 37.4 0.1 1
1518 141 141 ASN N N 122.1 0.1 1
1519 142 142 ARG H H 8.45 0.01 1
1520 142 142 ARG HA H 3.83 0.01 1
1521 142 142 ARG HB2 H 2.00 0.01 2
1522 142 142 ARG HB3 H 1.82 0.01 2
1523 142 142 ARG HG2 H 2.00 0.01 2
1524 142 142 ARG HG3 H 1.43 0.01 2
1525 142 142 ARG HD2 H 3.29 0.01 2
1526 142 142 ARG HD3 H 3.10 0.01 2
1527 142 142 ARG C C 176.7 0.1 1
1528 142 142 ARG CA C 59.9 0.1 1
1529 142 142 ARG CB C 31.5 0.1 1
1530 142 142 ARG CG C 27.0 0.1 1
1531 142 142 ARG CD C 44.0 0.1 1
1532 142 142 ARG N N 119.5 0.1 1
1533 143 143 ARG H H 7.13 0.01 1
1534 143 143 ARG HA H 4.00 0.01 1
1535 143 143 ARG HB2 H 1.97 0.01 1
1536 143 143 ARG HB3 H 1.97 0.01 1
1537 143 143 ARG HG2 H 1.74 0.01 1
1538 143 143 ARG HG3 H 1.74 0.01 1
1539 143 143 ARG HD2 H 3.29 0.01 2
1540 143 143 ARG HD3 H 3.26 0.01 2
1541 143 143 ARG C C 177.9 0.1 1
1542 143 143 ARG CA C 58.0 0.1 1
1543 143 143 ARG CB C 30.0 0.1 1
1544 143 143 ARG CG C 26.5 0.1 1
1545 143 143 ARG CD C 43.1 0.1 1
1546 143 143 ARG N N 117.0 0.1 1
1547 144 144 LEU H H 8.26 0.01 1
1548 144 144 LEU HA H 4.16 0.01 1
1549 144 144 LEU HB2 H 1.75 0.01 2
1550 144 144 LEU HB3 H 1.66 0.01 2
1551 144 144 LEU HG H 1.26 0.01 1
1552 144 144 LEU HD1 H 0.93 0.01 2
1553 144 144 LEU HD2 H 0.90 0.01 2
1554 144 144 LEU C C 179.8 0.1 1
1555 144 144 LEU CA C 58.2 0.1 1
1556 144 144 LEU CB C 41.7 0.1 1
1557 144 144 LEU CG C 27.3 0.1 1
1558 144 144 LEU CD1 C 24.5 0.1 1
1559 144 144 LEU CD2 C 24.3 0.1 1
1560 144 144 LEU N N 120.0 0.1 1
1561 145 145 LEU H H 7.98 0.01 1
1562 145 145 LEU HA H 4.30 0.01 1
1563 145 145 LEU HB2 H 1.76 0.01 2
1564 145 145 LEU HB3 H 1.45 0.01 2
1565 145 145 LEU HG H 1.58 0.01 1
1566 145 145 LEU HD1 H 0.82 0.01 2
1567 145 145 LEU HD2 H 0.82 0.01 2
1568 145 145 LEU C C 178.8 0.1 1
1569 145 145 LEU CA C 57.4 0.1 1
1570 145 145 LEU CB C 42.0 0.1 1
1571 145 145 LEU CG C 27.3 0.1 1
1572 145 145 LEU CD1 C 24.7 0.1 1
1573 145 145 LEU CD2 C 24.7 0.1 1
1574 145 145 LEU N N 119.4 0.1 1
1575 146 146 ALA H H 8.07 0.01 1
1576 146 146 ALA HA H 4.19 0.01 1
1577 146 146 ALA HB H 1.38 0.01 1
1578 146 146 ALA C C 181.3 0.1 1
1579 146 146 ALA CA C 55.5 0.1 1
1580 146 146 ALA CB C 17.8 0.1 1
1581 146 146 ALA N N 120.8 0.1 1
1582 147 147 ASP H H 8.82 0.01 1
1583 147 147 ASP HA H 4.45 0.01 1
1584 147 147 ASP HB2 H 2.96 0.01 2
1585 147 147 ASP HB3 H 2.67 0.01 2
1586 147 147 ASP C C 180.0 0.1 1
1587 147 147 ASP CA C 57.2 0.1 1
1588 147 147 ASP CB C 39.9 0.1 1
1589 147 147 ASP N N 121.2 0.1 1
1590 148 148 GLN H H 8.53 0.01 1
1591 148 148 GLN HA H 4.72 0.01 1
1592 148 148 GLN HB2 H 1.93 0.01 1
1593 148 148 GLN HB3 H 1.93 0.01 1
1594 148 148 GLN HG2 H 2.63 0.01 2
1595 148 148 GLN HG3 H 2.22 0.01 2
1596 148 148 GLN HE21 H 6.90 0.01 2
1597 148 148 GLN C C 179.7 0.1 1
1598 148 148 GLN CA C 59.5 0.1 1
1599 148 148 GLN CB C 29.1 0.1 1
1600 148 148 GLN CG C 34.6 0.1 1
1601 148 148 GLN N N 122.5 0.1 1
1602 149 149 LEU H H 8.69 0.01 1
1603 149 149 LEU HA H 3.96 0.01 1
1604 149 149 LEU HB2 H 2.02 0.01 2
1605 149 149 LEU HB3 H 1.20 0.01 2
1606 149 149 LEU HG H 1.74 0.01 1
1607 149 149 LEU HD1 H 0.66 0.01 2
1608 149 149 LEU HD2 H 0.56 0.01 2
1609 149 149 LEU C C 180.0 0.1 1
1610 149 149 LEU CA C 58.6 0.1 1
1611 149 149 LEU CB C 40.6 0.1 1
1612 149 149 LEU CG C 27.5 0.1 1
1613 149 149 LEU CD1 C 25.8 0.1 1
1614 149 149 LEU CD2 C 24.3 0.1 1
1615 149 149 LEU N N 120.1 0.1 1
1616 150 150 GLY H H 8.55 0.01 1
1617 150 150 GLY HA2 H 4.32 0.01 2
1618 150 150 GLY HA3 H 4.02 0.01 2
1619 150 150 GLY C C 178.7 0.1 1
1620 150 150 GLY CA C 47.1 0.1 1
1621 150 150 GLY N N 107.7 0.1 1
1622 151 151 SER H H 8.28 0.01 1
1623 151 151 SER HA H 4.37 0.01 1
1624 151 151 SER HB2 H 4.06 0.01 1
1625 151 151 SER HB3 H 4.06 0.01 1
1626 151 151 SER C C 175.2 0.1 1
1627 151 151 SER CA C 61.2 0.1 1
1628 151 151 SER CB C 62.5 0.1 1
1629 151 151 SER N N 120.3 0.1 1
1630 152 152 LEU H H 7.37 0.01 1
1631 152 152 LEU HA H 4.40 0.01 1
1632 152 152 LEU HB2 H 2.20 0.01 2
1633 152 152 LEU HB3 H 1.75 0.01 2
1634 152 152 LEU HG H 1.97 0.01 1
1635 152 152 LEU HD1 H 0.92 0.01 2
1636 152 152 LEU HD2 H 0.92 0.01 2
1637 152 152 LEU C C 176.7 0.1 1
1638 152 152 LEU CA C 54.4 0.1 1
1639 152 152 LEU CB C 42.9 0.1 1
1640 152 152 LEU CG C 26.1 0.1 1
1641 152 152 LEU CD1 C 22.2 0.1 1
1642 152 152 LEU CD2 C 22.2 0.1 1
1643 152 152 LEU N N 120.4 0.1 1
1644 153 153 GLY H H 7.88 0.01 1
1645 153 153 GLY HA2 H 4.26 0.01 2
1646 153 153 GLY HA3 H 3.65 0.01 2
1647 153 153 GLY C C 174.1 0.1 1
1648 153 153 GLY CA C 45.2 0.1 1
1649 153 153 GLY N N 107.2 0.1 1
1650 154 154 TYR H H 7.48 0.01 1
1651 154 154 TYR HA H 4.62 0.01 1
1652 154 154 TYR HB2 H 3.05 0.01 2
1653 154 154 TYR HB3 H 2.34 0.01 2
1654 154 154 TYR HD1 H 7.14 0.01 1
1655 154 154 TYR HD2 H 7.14 0.01 1
1656 154 154 TYR HE1 H 6.57 0.01 1
1657 154 154 TYR HE2 H 6.57 0.01 1
1658 154 154 TYR C C 176.3 0.1 1
1659 154 154 TYR CA C 58.0 0.1 1
1660 154 154 TYR CB C 39.3 0.1 1
1661 154 154 TYR CD1 C 130.8 0.1 1
1662 154 154 TYR CD2 C 130.8 0.1 1
1663 154 154 TYR CE1 C 115.2 0.1 1
1664 154 154 TYR CE2 C 115.2 0.1 1
1665 154 154 TYR N N 118.6 0.1 1
1666 155 155 GLN H H 8.34 0.01 1
1667 155 155 GLN HA H 4.55 0.01 1
1668 155 155 GLN HB2 H 2.20 0.01 2
1669 155 155 GLN HB3 H 2.12 0.01 2
1670 155 155 GLN HG2 H 2.56 0.01 2
1671 155 155 GLN HG3 H 2.35 0.01 2
1672 155 155 GLN HE21 H 7.70 0.01 2
1673 155 155 GLN C C 175.2 0.1 1
1674 155 155 GLN CA C 55.7 0.1 1
1675 155 155 GLN CB C 30.6 0.1 1
1676 155 155 GLN CG C 34.6 0.1 1
1677 155 155 GLN N N 119.5 0.1 1
1678 156 156 CYS H H 8.48 0.01 1
1679 156 156 CYS HA H 5.89 0.01 1
1680 156 156 CYS HB2 H 2.70 0.01 1
1681 156 156 CYS HB3 H 2.70 0.01 1
1682 156 156 CYS C C 174.4 0.1 1
1683 156 156 CYS CA C 56.8 0.1 1
1684 156 156 CYS CB C 31.1 0.1 1
1685 156 156 CYS N N 117.1 0.1 1
1686 157 157 LYS H H 8.95 0.01 1
1687 157 157 LYS HA H 4.67 0.01 1
1688 157 157 LYS HB2 H 1.84 0.01 2
1689 157 157 LYS HB3 H 1.32 0.01 2
1690 157 157 LYS HG2 H 1.52 0.01 2
1691 157 157 LYS HG3 H 1.49 0.01 2
1692 157 157 LYS HD2 H 1.61 0.01 2
1693 157 157 LYS HD3 H 1.42 0.01 2
1694 157 157 LYS HE2 H 2.93 0.01 1
1695 157 157 LYS HE3 H 2.93 0.01 1
1696 157 157 LYS C C 175.1 0.1 1
1697 157 157 LYS CA C 54.0 0.1 1
1698 157 157 LYS CB C 36.6 0.1 1
1699 157 157 LYS CG C 25.7 0.1 1
1700 157 157 LYS CD C 28.6 0.1 1
1701 157 157 LYS CE C 42.2 0.1 1
1702 157 157 LYS N N 124.6 0.1 1
1703 158 158 THR H H 8.27 0.01 1
1704 158 158 THR HA H 5.61 0.01 1
1705 158 158 THR HB H 4.05 0.01 1
1706 158 158 THR HG2 H 1.03 0.01 1
1707 158 158 THR C C 173.0 0.1 1
1708 158 158 THR CA C 59.4 0.1 1
1709 158 158 THR CB C 71.9 0.1 1
1710 158 158 THR CG2 C 20.9 0.1 1
1711 158 158 THR N N 109.5 0.1 1
1712 159 159 ALA H H 8.83 0.01 1
1713 159 159 ALA HA H 4.68 0.01 1
1714 159 159 ALA HB H 1.27 0.01 1
1715 159 159 ALA C C 176.6 0.1 1
1716 159 159 ALA CA C 50.5 0.1 1
1717 159 159 ALA CB C 22.4 0.1 1
1718 159 159 ALA N N 120.6 0.1 1
1719 160 160 ASN H H 9.37 0.01 1
1720 160 160 ASN HA H 4.65 0.01 1
1721 160 160 ASN HB2 H 2.88 0.01 2
1722 160 160 ASN HB3 H 2.63 0.01 2
1723 160 160 ASN HD21 H 7.36 0.01 2
1724 160 160 ASN C C 173.8 0.1 1
1725 160 160 ASN CA C 54.1 0.1 1
1726 160 160 ASN CB C 39.0 0.1 1
1727 160 160 ASN N N 117.5 0.1 1
1728 161 161 ASP H H 7.58 0.01 1
1729 161 161 ASP HA H 4.96 0.01 1
1730 161 161 ASP HB2 H 2.89 0.01 2
1731 161 161 ASP HB3 H 2.63 0.01 2
1732 161 161 ASP C C 176.8 0.1 1
1733 161 161 ASP CA C 53.0 0.1 1
1734 161 161 ASP CB C 41.5 0.1 1
1735 161 161 ASP N N 109.8 0.1 1
1736 162 162 GLY H H 8.80 0.01 1
1737 162 162 GLY HA2 H 3.78 0.01 2
1738 162 162 GLY HA3 H 3.48 0.01 2
1739 162 162 GLY C C 174.0 0.1 1
1740 162 162 GLY CA C 48.3 0.1 1
1741 162 162 GLY N N 104.6 0.1 1
1742 163 163 VAL H H 7.84 0.01 1
1743 163 163 VAL HA H 3.49 0.01 1
1744 163 163 VAL HB H 2.20 0.01 1
1745 163 163 VAL HG1 H 0.93 0.01 2
1746 163 163 VAL HG2 H 0.89 0.01 2
1747 163 163 VAL C C 179.3 0.1 1
1748 163 163 VAL CA C 66.6 0.1 1
1749 163 163 VAL CB C 31.3 0.1 1
1750 163 163 VAL CG1 C 22.7 0.1 1
1751 163 163 VAL CG2 C 20.9 0.1 1
1752 163 163 VAL N N 122.2 0.1 1
1753 164 164 ASP H H 8.61 0.01 1
1754 164 164 ASP HA H 4.48 0.01 1
1755 164 164 ASP HB2 H 2.88 0.01 2
1756 164 164 ASP HB3 H 2.66 0.01 2
1757 164 164 ASP C C 178.3 0.1 1
1758 164 164 ASP CA C 56.6 0.1 1
1759 164 164 ASP CB C 41.9 0.1 1
1760 164 164 ASP N N 121.5 0.1 1
1761 165 165 ALA H H 8.51 0.01 1
1762 165 165 ALA HA H 3.62 0.01 1
1763 165 165 ALA HB H 1.40 0.01 1
1764 165 165 ALA C C 178.8 0.1 1
1765 165 165 ALA CA C 55.4 0.1 1
1766 165 165 ALA CB C 19.6 0.1 1
1767 165 165 ALA N N 119.3 0.1 1
1768 166 166 LEU H H 7.91 0.01 1
1769 166 166 LEU HA H 3.87 0.01 1
1770 166 166 LEU HB2 H 1.89 0.01 2
1771 166 166 LEU HB3 H 1.39 0.01 2
1772 166 166 LEU HG H 1.77 0.01 1
1773 166 166 LEU HD1 H 0.80 0.01 2
1774 166 166 LEU HD2 H 0.69 0.01 2
1775 166 166 LEU C C 179.7 0.1 1
1776 166 166 LEU CA C 57.9 0.1 1
1777 166 166 LEU CB C 40.9 0.1 1
1778 166 166 LEU CG C 26.3 0.1 1
1779 166 166 LEU CD1 C 22.3 0.1 1
1780 166 166 LEU CD2 C 22.4 0.1 1
1781 166 166 LEU N N 117.4 0.1 1
1782 167 167 ASN H H 7.74 0.01 1
1783 167 167 ASN HA H 4.47 0.01 1
1784 167 167 ASN HB2 H 3.03 0.01 1
1785 167 167 ASN HB3 H 3.03 0.01 1
1786 167 167 ASN HD21 H 7.88 0.01 2
1787 167 167 ASN HD22 H 6.91 0.01 2
1788 167 167 ASN C C 178.3 0.1 1
1789 167 167 ASN CA C 56.2 0.1 1
1790 167 167 ASN CB C 38.0 0.1 1
1791 167 167 ASN N N 119.7 0.1 1
1792 167 167 ASN ND2 N 113.6 0.1 1
1793 168 168 VAL H H 8.56 0.01 1
1794 168 168 VAL HA H 3.53 0.01 1
1795 168 168 VAL HB H 2.11 0.01 1
1796 168 168 VAL HG1 H 1.06 0.01 2
1797 168 168 VAL HG2 H 0.80 0.01 2
1798 168 168 VAL C C 179.6 0.1 1
1799 168 168 VAL CA C 68.5 0.1 1
1800 168 168 VAL CB C 31.2 0.1 1
1801 168 168 VAL CG1 C 22.5 0.1 1
1802 168 168 VAL CG2 C 22.1 0.1 1
1803 168 168 VAL N N 122.1 0.1 1
1804 169 169 LEU H H 8.61 0.01 1
1805 169 169 LEU HA H 3.98 0.01 1
1806 169 169 LEU HB2 H 1.75 0.01 2
1807 169 169 LEU HB3 H 1.38 0.01 2
1808 169 169 LEU HG H 1.54 0.01 1
1809 169 169 LEU HD1 H 0.65 0.01 2
1810 169 169 LEU HD2 H 0.66 0.01 2
1811 169 169 LEU C C 177.4 0.1 1
1812 169 169 LEU CA C 57.5 0.1 1
1813 169 169 LEU CB C 42.1 0.1 1
1814 169 169 LEU CG C 27.1 0.1 1
1815 169 169 LEU CD1 C 25.2 0.1 1
1816 169 169 LEU CD2 C 24.3 0.1 1
1817 169 169 LEU N N 119.6 0.1 1
1818 170 170 SER H H 7.64 0.01 1
1819 170 170 SER HA H 4.34 0.01 1
1820 170 170 SER HB2 H 4.04 0.01 1
1821 170 170 SER HB3 H 4.04 0.01 1
1822 170 170 SER C C 175.2 0.1 1
1823 170 170 SER CA C 60.2 0.1 1
1824 170 170 SER CB C 63.5 0.1 1
1825 170 170 SER N N 111.5 0.1 1
1826 171 171 LYS H H 7.24 0.01 1
1827 171 171 LYS HA H 4.55 0.01 1
1828 171 171 LYS HB2 H 1.93 0.01 2
1829 171 171 LYS HB3 H 1.62 0.01 2
1830 171 171 LYS HG2 H 1.45 0.01 2
1831 171 171 LYS HG3 H 1.41 0.01 2
1832 171 171 LYS HE2 H 2.95 0.01 2
1833 171 171 LYS HE3 H 2.94 0.01 2
1834 171 171 LYS C C 175.3 0.1 1
1835 171 171 LYS CA C 56.0 0.1 1
1836 171 171 LYS CB C 35.4 0.1 1
1837 171 171 LYS CG C 24.6 0.1 1
1838 171 171 LYS CD C 28.8 0.1 1
1839 171 171 LYS CE C 42.0 0.1 1
1840 171 171 LYS N N 118.2 0.1 1
1841 172 172 ASN H H 7.76 0.01 1
1842 172 172 ASN HA H 4.99 0.01 1
1843 172 172 ASN HB2 H 2.30 0.01 1
1844 172 172 ASN HB3 H 2.30 0.01 1
1845 172 172 ASN HD21 H 7.73 0.01 2
1846 172 172 ASN C C 172.8 0.1 1
1847 172 172 ASN CA C 52.1 0.1 1
1848 172 172 ASN CB C 43.2 0.1 1
1849 172 172 ASN N N 117.0 0.1 1
1850 173 173 HIS HA H 4.36 0.01 1
1851 173 173 HIS HB2 H 2.97 0.01 1
1852 173 173 HIS HB3 H 2.97 0.01 1
1853 173 173 HIS C C 173.7 0.1 1
1854 173 173 HIS CA C 57.1 0.1 1
1855 173 173 HIS CB C 29.1 0.1 1
1856 174 174 ILE H H 7.29 0.01 1
1857 174 174 ILE HA H 3.72 0.01 1
1858 174 174 ILE HB H 1.60 0.01 1
1859 174 174 ILE HG12 H 2.00 0.01 1
1860 174 174 ILE HG13 H 2.00 0.01 1
1861 174 174 ILE HG2 H 0.64 0.01 1
1862 174 174 ILE HD1 H 0.49 0.01 1
1863 174 174 ILE C C 173.6 0.1 1
1864 174 174 ILE CA C 57.0 0.1 1
1865 174 174 ILE CB C 38.4 0.1 1
1866 174 174 ILE CG1 C 26.0 0.1 1
1867 174 174 ILE CG2 C 20.0 0.1 1
1868 174 174 ILE CD1 C 9.5 0.1 1
1869 174 174 ILE N N 127.1 0.1 1
1870 175 175 ASP H H 8.82 0.01 1
1871 175 175 ASP HA H 4.79 0.01 1
1872 175 175 ASP HB2 H 2.76 0.01 2
1873 175 175 ASP HB3 H 2.69 0.01 2
1874 175 175 ASP C C 175.1 0.1 1
1875 175 175 ASP CA C 56.9 0.1 1
1876 175 175 ASP CB C 44.9 0.1 1
1877 175 175 ASP N N 121.5 0.1 1
1878 176 176 ILE H H 7.26 0.01 1
1879 176 176 ILE HA H 4.34 0.01 1
1880 176 176 ILE HB H 1.38 0.01 1
1881 176 176 ILE HG12 H 1.41 0.01 2
1882 176 176 ILE HG13 H 0.71 0.01 2
1883 176 176 ILE HG2 H 0.49 0.01 1
1884 176 176 ILE HD1 H 0.59 0.01 1
1885 176 176 ILE C C 172.8 0.1 1
1886 176 176 ILE CA C 60.2 0.1 1
1887 176 176 ILE CB C 44.3 0.1 1
1888 176 176 ILE CG1 C 28.3 0.1 1
1889 176 176 ILE CG2 C 16.6 0.1 1
1890 176 176 ILE CD1 C 13.6 0.1 1
1891 176 176 ILE N N 116.2 0.1 1
1892 177 177 VAL H H 8.50 0.01 1
1893 177 177 VAL HA H 4.60 0.01 1
1894 177 177 VAL HB H 1.96 0.01 1
1895 177 177 VAL HG1 H 0.65 0.01 2
1896 177 177 VAL HG2 H 0.76 0.01 2
1897 177 177 VAL C C 173.0 0.1 1
1898 177 177 VAL CA C 60.6 0.1 1
1899 177 177 VAL CB C 34.3 0.1 1
1900 177 177 VAL CG1 C 20.9 0.1 1
1901 177 177 VAL CG2 C 20.8 0.1 1
1902 177 177 VAL N N 126.0 0.1 1
1903 178 178 LEU H H 9.21 0.01 1
1904 178 178 LEU HA H 5.27 0.01 1
1905 178 178 LEU HB2 H 1.59 0.01 2
1906 178 178 LEU HB3 H 1.05 0.01 2
1907 178 178 LEU HG H 1.38 0.01 1
1908 178 178 LEU HD1 H 0.65 0.01 2
1909 178 178 LEU HD2 H 0.65 0.01 2
1910 178 178 LEU C C 174.8 0.1 1
1911 178 178 LEU CA C 53.3 0.1 1
1912 178 178 LEU CB C 44.9 0.1 1
1913 178 178 LEU CG C 27.6 0.1 1
1914 178 178 LEU CD1 C 25.8 0.1 1
1915 178 178 LEU CD2 C 25.8 0.1 1
1916 178 178 LEU N N 130.5 0.1 1
1917 179 179 SER H H 8.90 0.01 1
1918 179 179 SER HA H 5.36 0.01 1
1919 179 179 SER HB2 H 3.23 0.01 2
1920 179 179 SER HB3 H 2.97 0.01 2
1921 179 179 SER C C 174.4 0.1 1
1922 179 179 SER CA C 55.4 0.1 1
1923 179 179 SER CB C 66.5 0.1 1
1924 179 179 SER N N 116.6 0.1 1
1925 180 180 ASP H H 8.43 0.01 1
1926 180 180 ASP HA H 4.87 0.01 1
1927 180 180 ASP HB2 H 2.60 0.01 2
1928 180 180 ASP HB3 H 2.59 0.01 2
1929 180 180 ASP C C 177.4 0.1 1
1930 180 180 ASP CA C 55.4 0.1 1
1931 180 180 ASP CB C 42.1 0.1 1
1932 180 180 ASP N N 129.3 0.1 1
1933 181 181 VAL H H 8.06 0.01 1
1934 181 181 VAL HA H 3.65 0.01 1
1935 181 181 VAL HB H 1.66 0.01 1
1936 181 181 VAL HG1 H 0.89 0.01 2
1937 181 181 VAL HG2 H 0.50 0.01 2
1938 181 181 VAL C C 173.9 0.1 1
1939 181 181 VAL CA C 64.9 0.1 1
1940 181 181 VAL CB C 31.4 0.1 1
1941 181 181 VAL CG1 C 21.5 0.1 1
1942 181 181 VAL CG2 C 20.0 0.1 1
1943 181 181 VAL N N 117.8 0.1 1
1944 182 182 ASN H H 8.76 0.01 1
1945 182 182 ASN HA H 4.98 0.01 1
1946 182 182 ASN HB2 H 2.94 0.01 2
1947 182 182 ASN HB3 H 2.69 0.01 2
1948 182 182 ASN HD21 H 7.70 0.01 2
1949 182 182 ASN HD22 H 6.91 0.01 2
1950 182 182 ASN C C 173.5 0.1 1
1951 182 182 ASN CA C 53.3 0.1 1
1952 182 182 ASN CB C 39.1 0.1 1
1953 182 182 ASN N N 121.8 0.1 1
1954 182 182 ASN ND2 N 113.1 0.1 1
1955 183 183 MET H H 7.01 0.01 1
1956 183 183 MET HA H 4.72 0.01 1
1957 183 183 MET HB2 H 2.10 0.01 2
1958 183 183 MET HB3 H 2.04 0.01 2
1959 183 183 MET HG2 H 2.71 0.01 2
1960 183 183 MET HG3 H 2.32 0.01 2
1961 183 183 MET C C 173.2 0.1 1
1962 183 183 MET CA C 53.9 0.1 1
1963 183 183 MET CB C 35.8 0.1 1
1964 183 183 MET N N 120.3 0.1 1
1965 184 184 PRO CA C 64.9 0.1 1
1966 184 184 PRO CB C 31.4 0.1 1
1967 188 188 GLY H H 8.43 0.01 1
1968 188 188 GLY HA2 H 3.61 0.01 2
1969 188 188 GLY HA3 H 3.55 0.01 2
1970 188 188 GLY CA C 47.2 0.1 1
1971 188 188 GLY N N 102.2 0.1 1
1972 189 189 TYR H H 7.70 0.01 1
1973 189 189 TYR HA H 4.49 0.01 1
1974 189 189 TYR HB2 H 3.17 0.01 1
1975 189 189 TYR HB3 H 3.17 0.01 1
1976 189 189 TYR HD1 H 7.10 0.01 1
1977 189 189 TYR HD2 H 7.10 0.01 1
1978 189 189 TYR HE1 H 6.84 0.01 1
1979 189 189 TYR HE2 H 6.84 0.01 1
1980 189 189 TYR C C 173.7 0.1 1
1981 189 189 TYR CA C 59.6 0.1 1
1982 189 189 TYR CB C 36.6 0.1 1
1983 189 189 TYR CD1 C 129.9 0.1 1
1984 189 189 TYR CD2 C 129.9 0.1 1
1985 189 189 TYR CE1 C 116.6 0.1 1
1986 189 189 TYR CE2 C 116.6 0.1 1
1987 189 189 TYR N N 123.7 0.1 1
1988 190 190 ARG H H 8.88 0.01 1
1989 190 190 ARG HA H 4.14 0.01 1
1990 190 190 ARG HB2 H 1.87 0.01 1
1991 190 190 ARG HB3 H 1.87 0.01 1
1992 190 190 ARG HG2 H 1.62 0.01 1
1993 190 190 ARG HG3 H 1.62 0.01 1
1994 190 190 ARG HD2 H 3.17 0.01 2
1995 190 190 ARG HD3 H 2.93 0.01 2
1996 190 190 ARG C C 179.5 0.1 1
1997 190 190 ARG CA C 58.7 0.1 1
1998 190 190 ARG CB C 29.9 0.1 1
1999 190 190 ARG CG C 27.8 0.1 1
2000 190 190 ARG CD C 43.3 0.1 1
2001 190 190 ARG N N 121.8 0.1 1
2002 191 191 LEU H H 8.51 0.01 1
2003 191 191 LEU HA H 4.16 0.01 1
2004 191 191 LEU HB2 H 1.90 0.01 1
2005 191 191 LEU HB3 H 1.90 0.01 1
2006 191 191 LEU HG H 1.36 0.01 1
2007 191 191 LEU HD1 H 0.73 0.01 2
2008 191 191 LEU HD2 H 0.92 0.01 2
2009 191 191 LEU CA C 58.7 0.1 1
2010 191 191 LEU CB C 41.7 0.1 1
2011 191 191 LEU CG C 25.9 0.1 1
2012 191 191 LEU CD1 C 25.8 0.1 1
2013 191 191 LEU CD2 C 23.3 0.1 1
2014 191 191 LEU N N 120.3 0.1 1
2015 192 192 THR H H 7.76 0.01 1
2016 192 192 THR HA H 3.55 0.01 1
2017 192 192 THR HB H 4.21 0.01 1
2018 192 192 THR HG2 H 1.00 0.01 1
2019 192 192 THR CA C 68.8 0.1 1
2020 192 192 THR CB C 67.9 0.1 1
2021 192 192 THR CG2 C 21.8 0.1 1
2022 192 192 THR N N 116.0 0.1 1
2023 193 193 GLN H H 8.32 0.01 1
2024 193 193 GLN HA H 4.07 0.01 1
2025 193 193 GLN HB2 H 2.10 0.01 1
2026 193 193 GLN HB3 H 2.10 0.01 1
2027 193 193 GLN HG2 H 2.38 0.01 2
2028 193 193 GLN HG3 H 2.31 0.01 2
2029 193 193 GLN C C 179.6 0.1 1
2030 193 193 GLN CA C 59.6 0.1 1
2031 193 193 GLN CB C 28.6 0.1 1
2032 193 193 GLN N N 120.8 0.1 1
2033 194 194 ARG H H 8.17 0.01 1
2034 194 194 ARG HA H 4.09 0.01 1
2035 194 194 ARG HB2 H 1.92 0.01 2
2036 194 194 ARG HB3 H 1.76 0.01 2
2037 194 194 ARG HG2 H 1.80 0.01 2
2038 194 194 ARG HG3 H 1.60 0.01 2
2039 194 194 ARG HD2 H 3.32 0.01 2
2040 194 194 ARG HD3 H 3.15 0.01 2
2041 194 194 ARG C C 178.4 0.1 1
2042 194 194 ARG CA C 57.9 0.1 1
2043 194 194 ARG CB C 28.5 0.1 1
2044 194 194 ARG CG C 26.9 0.1 1
2045 194 194 ARG CD C 41.6 0.1 1
2046 194 194 ARG N N 119.8 0.1 1
2047 195 195 ILE H H 8.53 0.01 1
2048 195 195 ILE HA H 3.45 0.01 1
2049 195 195 ILE HB H 2.18 0.01 1
2050 195 195 ILE HG12 H 1.95 0.01 2
2051 195 195 ILE HG13 H 1.79 0.01 2
2052 195 195 ILE HG2 H 0.77 0.01 1
2053 195 195 ILE HD1 H 0.59 0.01 1
2054 195 195 ILE C C 178.1 0.1 1
2055 195 195 ILE CA C 66.5 0.1 1
2056 195 195 ILE CB C 38.2 0.1 1
2057 195 195 ILE CG1 C 30.4 0.1 1
2058 195 195 ILE CG2 C 18.4 0.1 1
2059 195 195 ILE CD1 C 13.9 0.1 1
2060 195 195 ILE N N 121.0 0.1 1
2061 196 196 ARG H H 8.54 0.01 1
2062 196 196 ARG HA H 4.23 0.01 1
2063 196 196 ARG HB2 H 2.17 0.01 1
2064 196 196 ARG HB3 H 2.17 0.01 1
2065 196 196 ARG HG2 H 1.90 0.01 2
2066 196 196 ARG HG3 H 1.82 0.01 2
2067 196 196 ARG HD2 H 3.32 0.01 2
2068 196 196 ARG HD3 H 3.12 0.01 2
2069 196 196 ARG C C 181.9 0.1 1
2070 196 196 ARG CA C 56.8 0.1 1
2071 196 196 ARG CB C 27.8 0.1 1
2072 196 196 ARG CG C 27.7 0.1 1
2073 196 196 ARG CD C 41.7 0.1 1
2074 196 196 ARG N N 115.0 0.1 1
2075 197 197 GLN H H 8.56 0.01 1
2076 197 197 GLN HA H 4.09 0.01 1
2077 197 197 GLN HB2 H 2.30 0.01 2
2078 197 197 GLN HB3 H 2.19 0.01 2
2079 197 197 GLN HG2 H 2.62 0.01 2
2080 197 197 GLN HG3 H 2.43 0.01 2
2081 197 197 GLN HE21 H 7.50 0.01 2
2082 197 197 GLN HE22 H 6.74 0.01 2
2083 197 197 GLN C C 178.3 0.1 1
2084 197 197 GLN CA C 58.6 0.1 1
2085 197 197 GLN CB C 28.3 0.1 1
2086 197 197 GLN CG C 33.9 0.1 1
2087 197 197 GLN N N 123.4 0.1 1
2088 198 198 LEU H H 7.81 0.01 1
2089 198 198 LEU HA H 4.19 0.01 1
2090 198 198 LEU HB2 H 2.10 0.01 2
2091 198 198 LEU HB3 H 1.57 0.01 2
2092 198 198 LEU HG H 1.78 0.01 1
2093 198 198 LEU HD1 H 0.80 0.01 2
2094 198 198 LEU HD2 H 0.80 0.01 2
2095 198 198 LEU C C 177.2 0.1 1
2096 198 198 LEU CA C 55.5 0.1 1
2097 198 198 LEU CB C 42.7 0.1 1
2098 198 198 LEU CG C 26.6 0.1 1
2099 198 198 LEU CD1 C 25.4 0.1 1
2100 198 198 LEU CD2 C 25.4 0.1 1
2101 198 198 LEU N N 119.1 0.1 1
2102 199 199 GLY H H 8.01 0.01 1
2103 199 199 GLY HA2 H 4.16 0.01 2
2104 199 199 GLY HA3 H 3.66 0.01 2
2105 199 199 GLY C C 174.1 0.1 1
2106 199 199 GLY CA C 45.1 0.1 1
2107 199 199 GLY N N 106.7 0.1 1
2108 200 200 LEU H H 7.40 0.01 1
2109 200 200 LEU HA H 4.53 0.01 1
2110 200 200 LEU HB2 H 1.97 0.01 2
2111 200 200 LEU HB3 H 1.30 0.01 2
2112 200 200 LEU HG H 1.64 0.01 1
2113 200 200 LEU HD1 H 0.85 0.01 2
2114 200 200 LEU HD2 H 0.85 0.01 2
2115 200 200 LEU C C 178.9 0.1 1
2116 200 200 LEU CA C 54.9 0.1 1
2117 200 200 LEU CB C 41.5 0.1 1
2118 200 200 LEU N N 119.2 0.1 1
2119 201 201 THR H H 9.07 0.01 1
2120 201 201 THR HA H 4.31 0.01 1
2121 201 201 THR HB H 4.55 0.01 1
2122 201 201 THR HG2 H 1.14 0.01 1
2123 201 201 THR C C 174.3 0.1 1
2124 201 201 THR CA C 61.0 0.1 1
2125 201 201 THR CB C 68.8 0.1 1
2126 201 201 THR CG2 C 21.2 0.1 1
2127 201 201 THR N N 124.0 0.1 1
2128 202 202 LEU H H 6.91 0.01 1
2129 202 202 LEU HA H 4.53 0.01 1
2130 202 202 LEU HB2 H 2.13 0.01 2
2131 202 202 LEU HB3 H 1.53 0.01 2
2132 202 202 LEU HG H 1.31 0.01 1
2133 202 202 LEU HD1 H 0.51 0.01 2
2134 202 202 LEU HD2 H 0.70 0.01 2
2135 202 202 LEU C C 172.5 0.1 1
2136 202 202 LEU CA C 54.6 0.1 1
2137 202 202 LEU CB C 39.0 0.1 1
2138 202 202 LEU CD1 C 26.7 0.1 1
2139 202 202 LEU CD2 C 26.0 0.1 1
2140 202 202 LEU N N 124.0 0.1 1
2141 203 203 PRO HA H 4.65 0.01 1
2142 203 203 PRO HB2 H 1.81 0.01 2
2143 203 203 PRO HB3 H 1.54 0.01 2
2144 203 203 PRO HG2 H 1.43 0.01 1
2145 203 203 PRO HG3 H 1.43 0.01 1
2146 203 203 PRO C C 175.3 0.1 1
2147 203 203 PRO CA C 62.2 0.1 1
2148 203 203 PRO CB C 31.2 0.1 1
2149 203 203 PRO CG C 28.0 0.1 1
2150 203 203 PRO CD C 49.7 0.1 1
2151 204 204 VAL H H 9.10 0.01 1
2152 204 204 VAL HA H 4.55 0.01 1
2153 204 204 VAL HB H 1.75 0.01 1
2154 204 204 VAL HG1 H 0.76 0.01 2
2155 204 204 VAL HG2 H 0.76 0.01 2
2156 204 204 VAL C C 174.3 0.1 1
2157 204 204 VAL CA C 61.2 0.1 1
2158 204 204 VAL CB C 34.5 0.1 1
2159 204 204 VAL CG1 C 20.8 0.1 1
2160 204 204 VAL CG2 C 20.8 0.1 1
2161 204 204 VAL N N 124.2 0.1 1
2162 205 205 ILE H H 9.10 0.01 1
2163 205 205 ILE HA H 4.52 0.01 1
2164 205 205 ILE HB H 1.62 0.01 1
2165 205 205 ILE HG12 H 0.89 0.01 2
2166 205 205 ILE HG13 H 0.54 0.01 2
2167 205 205 ILE HG2 H 0.57 0.01 1
2168 205 205 ILE HD1 H 0.20 0.01 1
2169 205 205 ILE C C 174.8 0.1 1
2170 205 205 ILE CA C 59.0 0.1 1
2171 205 205 ILE CB C 39.9 0.1 1
2172 205 205 ILE CG1 C 28.0 0.1 1
2173 205 205 ILE CG2 C 18.1 0.1 1
2174 205 205 ILE CD1 C 14.3 0.1 1
2175 205 205 ILE N N 129.0 0.1 1
2176 206 206 GLY H H 8.56 0.01 1
2177 206 206 GLY HA2 H 5.17 0.01 2
2178 206 206 GLY HA3 H 3.75 0.01 2
2179 206 206 GLY C C 172.8 0.1 1
2180 206 206 GLY CA C 43.8 0.1 1
2181 206 206 GLY N N 114.2 0.1 1
2182 207 207 VAL H H 8.35 0.01 1
2183 207 207 VAL HA H 4.86 0.01 1
2184 207 207 VAL HB H 1.84 0.01 1
2185 207 207 VAL HG1 H 0.74 0.01 2
2186 207 207 VAL HG2 H 0.67 0.01 2
2187 207 207 VAL C C 175.0 0.1 1
2188 207 207 VAL CA C 60.6 0.1 1
2189 207 207 VAL CB C 33.3 0.1 1
2190 207 207 VAL CG1 C 22.3 0.1 1
2191 207 207 VAL CG2 C 20.0 0.1 1
2192 207 207 VAL N N 121.4 0.1 1
2193 208 208 THR H H 8.91 0.01 1
2194 208 208 THR HA H 4.72 0.01 1
2195 208 208 THR HB H 4.29 0.01 1
2196 208 208 THR HG2 H 1.03 0.01 1
2197 208 208 THR C C 172.6 0.1 1
2198 208 208 THR CA C 58.8 0.1 1
2199 208 208 THR CB C 70.7 0.1 1
2200 208 208 THR CG2 C 20.4 0.1 1
2201 208 208 THR N N 118.0 0.1 1
2202 209 209 ALA H H 8.79 0.01 1
2203 209 209 ALA HA H 4.31 0.01 1
2204 209 209 ALA HB H 1.42 0.01 1
2205 209 209 ALA C C 177.6 0.1 1
2206 209 209 ALA CA C 50.4 0.1 1
2207 209 209 ALA CB C 19.4 0.1 1
2208 209 209 ALA N N 124.6 0.1 1
2209 210 210 ASN H H 8.18 0.01 1
2210 210 210 ASN HA H 4.74 0.01 1
2211 210 210 ASN HB2 H 2.92 0.01 2
2212 210 210 ASN HB3 H 2.79 0.01 2
2213 210 210 ASN CA C 52.3 0.1 1
2214 210 210 ASN CB C 39.3 0.1 1
2215 210 210 ASN N N 113.9 0.1 1
2216 211 211 ALA HA H 4.32 0.01 1
2217 211 211 ALA HB H 1.45 0.01 1
2218 211 211 ALA C C 177.3 0.1 1
2219 211 211 ALA CA C 52.2 0.1 1
2220 211 211 ALA CB C 18.2 0.1 1
2221 212 212 LEU H H 8.29 0.01 1
2222 212 212 LEU HA H 4.26 0.01 1
2223 212 212 LEU HB2 H 1.77 0.01 2
2224 212 212 LEU HB3 H 1.67 0.01 2
2225 212 212 LEU HG H 1.39 0.01 1
2226 212 212 LEU HD1 H 0.90 0.01 2
2227 212 212 LEU HD2 H 0.90 0.01 2
2228 212 212 LEU C C 175.2 0.1 1
2229 212 212 LEU CA C 55.8 0.1 1
2230 212 212 LEU CB C 42.2 0.1 1
2231 212 212 LEU CG C 26.7 0.1 1
2232 212 212 LEU CD1 C 20.8 0.1 1
2233 212 212 LEU CD2 C 20.0 0.1 1
2234 212 212 LEU N N 121.8 0.1 1
2235 213 213 ALA H H 8.40 0.01 1
2236 213 213 ALA HA H 4.25 0.01 1
2237 213 213 ALA HB H 1.31 0.01 1
2238 213 213 ALA C C 177.9 0.1 1
2239 213 213 ALA CA C 52.3 0.1 1
2240 213 213 ALA CB C 18.2 0.1 1
2241 213 213 ALA N N 123.4 0.1 1
2242 214 214 GLU H H 8.22 0.01 1
2243 214 214 GLU HA H 4.16 0.01 1
2244 214 214 GLU HB2 H 2.11 0.01 1
2245 214 214 GLU HB3 H 2.11 0.01 1
2246 214 214 GLU HG2 H 2.32 0.01 2
2247 214 214 GLU HG3 H 2.23 0.01 2
2248 214 214 GLU C C 178.6 0.1 1
2249 214 214 GLU CA C 58.8 0.1 1
2250 214 214 GLU CB C 29.4 0.1 1
2251 214 214 GLU CG C 36.5 0.1 1
2252 214 214 GLU N N 122.3 0.1 1
2253 215 215 GLU H H 7.49 0.01 1
2254 215 215 GLU HA H 4.22 0.01 1
2255 215 215 GLU HB2 H 2.08 0.01 2
2256 215 215 GLU HB3 H 2.19 0.01 2
2257 215 215 GLU HG2 H 2.42 0.01 2
2258 215 215 GLU HG3 H 2.32 0.01 2
2259 215 215 GLU C C 178.4 0.1 1
2260 215 215 GLU CA C 58.2 0.1 1
2261 215 215 GLU CB C 30.2 0.1 1
2262 215 215 GLU CG C 36.3 0.1 1
2263 215 215 GLU N N 119.4 0.1 1
2264 216 216 LYS H H 7.90 0.01 1
2265 216 216 LYS HA H 3.98 0.01 1
2266 216 216 LYS HB2 H 1.85 0.01 2
2267 216 216 LYS HB3 H 1.66 0.01 2
2268 216 216 LYS HG2 H 1.39 0.01 2
2269 216 216 LYS HG3 H 1.35 0.01 2
2270 216 216 LYS HD2 H 1.68 0.01 1
2271 216 216 LYS HD3 H 1.68 0.01 1
2272 216 216 LYS HE2 H 2.95 0.01 2
2273 216 216 LYS HE3 H 2.87 0.01 2
2274 216 216 LYS C C 178.3 0.1 1
2275 216 216 LYS CA C 60.3 0.1 1
2276 216 216 LYS CB C 31.8 0.1 1
2277 216 216 LYS CG C 25.3 0.1 1
2278 216 216 LYS CD C 29.5 0.1 1
2279 216 216 LYS CE C 42.0 0.1 1
2280 216 216 LYS N N 120.1 0.1 1
2281 217 217 GLN H H 8.15 0.01 1
2282 217 217 GLN HA H 4.01 0.01 1
2283 217 217 GLN HB2 H 2.13 0.01 2
2284 217 217 GLN HB3 H 2.05 0.01 2
2285 217 217 GLN HG2 H 2.37 0.01 1
2286 217 217 GLN HG3 H 2.37 0.01 1
2287 217 217 GLN HE21 H 7.12 0.01 2
2288 217 217 GLN C C 178.0 0.1 1
2289 217 217 GLN CA C 58.7 0.1 1
2290 217 217 GLN CB C 27.5 0.1 1
2291 217 217 GLN CG C 32.9 0.1 1
2292 217 217 GLN N N 118.0 0.1 1
2293 218 218 ARG H H 7.66 0.01 1
2294 218 218 ARG HA H 3.88 0.01 1
2295 218 218 ARG HB2 H 1.78 0.01 2
2296 218 218 ARG HB3 H 1.56 0.01 2
2297 218 218 ARG HG2 H 1.37 0.01 2
2298 218 218 ARG HG3 H 1.26 0.01 2
2299 218 218 ARG HD2 H 2.97 0.01 1
2300 218 218 ARG HD3 H 2.97 0.01 1
2301 218 218 ARG C C 180.2 0.1 1
2302 218 218 ARG CA C 59.3 0.1 1
2303 218 218 ARG CB C 29.7 0.1 1
2304 218 218 ARG CG C 27.6 0.1 1
2305 218 218 ARG CD C 43.6 0.1 1
2306 218 218 ARG N N 119.4 0.1 1
2307 219 219 CYS H H 8.11 0.01 1
2308 219 219 CYS HA H 4.40 0.01 1
2309 219 219 CYS HB2 H 3.92 0.01 2
2310 219 219 CYS HB3 H 3.31 0.01 2
2311 219 219 CYS C C 177.7 0.1 1
2312 219 219 CYS CA C 60.7 0.1 1
2313 219 219 CYS CB C 45.8 0.1 1
2314 219 219 CYS N N 119.3 0.1 1
2315 220 220 LEU H H 8.11 0.01 1
2316 220 220 LEU HA H 4.26 0.01 1
2317 220 220 LEU HB2 H 1.82 0.01 2
2318 220 220 LEU HB3 H 1.81 0.01 2
2319 220 220 LEU HG H 1.62 0.01 1
2320 220 220 LEU HD1 H 0.87 0.01 2
2321 220 220 LEU HD2 H 0.88 0.01 2
2322 220 220 LEU C C 181.6 0.1 1
2323 220 220 LEU CA C 57.9 0.1 1
2324 220 220 LEU CB C 41.6 0.1 1
2325 220 220 LEU CG C 26.6 0.1 1
2326 220 220 LEU CD1 C 25.2 0.1 1
2327 220 220 LEU CD2 C 23.1 0.1 1
2328 220 220 LEU N N 121.8 0.1 1
2329 221 221 GLU H H 8.68 0.01 1
2330 221 221 GLU HA H 4.01 0.01 1
2331 221 221 GLU HB2 H 2.11 0.01 2
2332 221 221 GLU HB3 H 2.04 0.01 2
2333 221 221 GLU HG2 H 2.45 0.01 2
2334 221 221 GLU HG3 H 2.28 0.01 2
2335 221 221 GLU C C 178.3 0.1 1
2336 221 221 GLU CA C 58.7 0.1 1
2337 221 221 GLU CB C 29.2 0.1 1
2338 221 221 GLU CG C 36.7 0.1 1
2339 221 221 GLU N N 120.2 0.1 1
2340 222 222 SER H H 7.66 0.01 1
2341 222 222 SER HA H 4.02 0.01 1
2342 222 222 SER HB2 H 4.32 0.01 2
2343 222 222 SER HB3 H 4.07 0.01 2
2344 222 222 SER C C 173.4 0.1 1
2345 222 222 SER CA C 60.5 0.1 1
2346 222 222 SER CB C 64.4 0.1 1
2347 222 222 SER N N 113.1 0.1 1
2348 223 223 GLY H H 7.66 0.01 1
2349 223 223 GLY HA2 H 4.28 0.01 2
2350 223 223 GLY HA3 H 3.71 0.01 2
2351 223 223 GLY C C 175.2 0.1 1
2352 223 223 GLY CA C 44.8 0.1 1
2353 223 223 GLY N N 105.2 0.1 1
2354 224 224 MET H H 7.61 0.01 1
2355 224 224 MET HA H 3.99 0.01 1
2356 224 224 MET HB2 H 1.89 0.01 1
2357 224 224 MET HB3 H 1.89 0.01 1
2358 224 224 MET HG2 H 2.40 0.01 2
2359 224 224 MET HG3 H 2.38 0.01 2
2360 224 224 MET C C 173.5 0.1 1
2361 224 224 MET CA C 57.1 0.1 1
2362 224 224 MET CB C 33.0 0.1 1
2363 224 224 MET CG C 35.0 0.1 1
2364 224 224 MET N N 120.9 0.1 1
2365 225 225 ASP H H 9.31 0.01 1
2366 225 225 ASP HA H 4.37 0.01 1
2367 225 225 ASP HB2 H 2.76 0.01 2
2368 225 225 ASP HB3 H 1.99 0.01 2
2369 225 225 ASP C C 176.2 0.1 1
2370 225 225 ASP CA C 57.6 0.1 1
2371 225 225 ASP CB C 42.8 0.1 1
2372 225 225 ASP N N 122.5 0.1 1
2373 226 226 SER H H 7.40 0.01 1
2374 226 226 SER HA H 4.49 0.01 1
2375 226 226 SER HB2 H 3.82 0.01 2
2376 226 226 SER HB3 H 3.66 0.01 2
2377 226 226 SER C C 172.1 0.1 1
2378 226 226 SER CA C 56.8 0.1 1
2379 226 226 SER CB C 64.5 0.1 1
2380 226 226 SER N N 107.5 0.1 1
2381 227 227 CYS HA H 5.38 0.01 1
2382 227 227 CYS HB2 H 3.01 0.01 2
2383 227 227 CYS HB3 H 2.81 0.01 2
2384 227 227 CYS C C 172.3 0.1 1
2385 227 227 CYS CA C 54.4 0.1 1
2386 227 227 CYS CB C 47.2 0.1 1
2387 228 228 LEU H H 9.26 0.01 1
2388 228 228 LEU HA H 4.64 0.01 1
2389 228 228 LEU HB2 H 1.62 0.01 2
2390 228 228 LEU HB3 H 1.49 0.01 2
2391 228 228 LEU HG H 1.31 0.01 1
2392 228 228 LEU HD1 H 0.82 0.01 2
2393 228 228 LEU HD2 H 0.64 0.01 2
2394 228 228 LEU C C 175.3 0.1 1
2395 228 228 LEU CA C 53.0 0.1 1
2396 228 228 LEU CB C 44.4 0.1 1
2397 228 228 LEU CG C 27.0 0.1 1
2398 228 228 LEU CD1 C 22.9 0.1 1
2399 228 228 LEU CD2 C 21.4 0.1 1
2400 228 228 LEU N N 123.9 0.1 1
2401 229 229 SER H H 8.25 0.01 1
2402 229 229 SER HA H 4.89 0.01 1
2403 229 229 SER HB2 H 3.69 0.01 2
2404 229 229 SER HB3 H 3.58 0.01 2
2405 229 229 SER C C 173.5 0.1 1
2406 229 229 SER CA C 57.0 0.1 1
2407 229 229 SER CB C 64.6 0.1 1
2408 229 229 SER N N 115.7 0.1 1
2409 230 230 LYS H H 7.83 0.01 1
2410 230 230 LYS HA H 4.26 0.01 1
2411 230 230 LYS HB2 H 1.68 0.01 2
2412 230 230 LYS HB3 H 1.49 0.01 2
2413 230 230 LYS HG2 H 1.36 0.01 2
2414 230 230 LYS HG3 H 1.25 0.01 2
2415 230 230 LYS C C 175.0 0.1 1
2416 230 230 LYS CA C 54.3 0.1 1
2417 230 230 LYS CB C 33.5 0.1 1
2418 230 230 LYS CG C 25.7 0.1 1
2419 230 230 LYS N N 121.9 0.1 1
2420 231 231 PRO HA H 4.48 0.01 1
2421 231 231 PRO HB2 H 2.29 0.01 2
2422 231 231 PRO HB3 H 1.96 0.01 2
2423 231 231 PRO HG2 H 1.83 0.01 1
2424 231 231 PRO HG3 H 1.83 0.01 1
2425 231 231 PRO HD2 H 3.61 0.01 2
2426 231 231 PRO HD3 H 3.48 0.01 2
2427 231 231 PRO C C 175.7 0.1 1
2428 231 231 PRO CA C 61.6 0.1 1
2429 231 231 PRO CB C 33.8 0.1 1
2430 231 231 PRO CG C 24.6 0.1 1
2431 231 231 PRO CD C 50.1 0.1 1
2432 232 232 VAL H H 8.93 0.01 1
2433 232 232 VAL HA H 4.18 0.01 1
2434 232 232 VAL HB H 2.04 0.01 1
2435 232 232 VAL HG1 H 0.88 0.01 2
2436 232 232 VAL HG2 H 0.89 0.01 2
2437 232 232 VAL C C 176.2 0.1 1
2438 232 232 VAL CA C 61.9 0.1 1
2439 232 232 VAL CB C 31.9 0.1 1
2440 232 232 VAL CG1 C 22.7 0.1 1
2441 232 232 VAL CG2 C 21.5 0.1 1
2442 232 232 VAL N N 124.5 0.1 1
2443 233 233 THR H H 7.66 0.01 1
2444 233 233 THR HA H 4.52 0.01 1
2445 233 233 THR HB H 4.62 0.01 1
2446 233 233 THR HG2 H 1.26 0.01 1
2447 233 233 THR C C 175.2 0.1 1
2448 233 233 THR CA C 59.9 0.1 1
2449 233 233 THR CB C 70.8 0.1 1
2450 233 233 THR CG2 C 21.9 0.1 1
2451 233 233 THR N N 117.4 0.1 1
2452 234 234 LEU H H 8.79 0.01 1
2453 234 234 LEU HA H 3.95 0.01 1
2454 234 234 LEU HB2 H 1.76 0.01 2
2455 234 234 LEU HB3 H 1.66 0.01 2
2456 234 234 LEU HD1 H 0.85 0.01 2
2457 234 234 LEU HD2 H 0.93 0.01 2
2458 234 234 LEU C C 178.3 0.1 1
2459 234 234 LEU CA C 57.7 0.1 1
2460 234 234 LEU CB C 41.7 0.1 1
2461 234 234 LEU CG C 26.8 0.1 1
2462 234 234 LEU CD1 C 24.8 0.1 1
2463 234 234 LEU CD2 C 23.8 0.1 1
2464 234 234 LEU N N 122.8 0.1 1
2465 235 235 ASP H H 8.44 0.01 1
2466 235 235 ASP HA H 4.31 0.01 1
2467 235 235 ASP HB2 H 2.61 0.01 2
2468 235 235 ASP HB3 H 2.55 0.01 2
2469 235 235 ASP C C 178.6 0.1 1
2470 235 235 ASP CA C 57.4 0.1 1
2471 235 235 ASP CB C 40.4 0.1 1
2472 235 235 ASP N N 115.4 0.1 1
2473 236 236 VAL H H 7.38 0.01 1
2474 236 236 VAL HA H 3.80 0.01 1
2475 236 236 VAL HB H 2.14 0.01 1
2476 236 236 VAL HG1 H 1.04 0.01 2
2477 236 236 VAL HG2 H 1.01 0.01 2
2478 236 236 VAL C C 179.9 0.1 1
2479 236 236 VAL CA C 66.0 0.1 1
2480 236 236 VAL CB C 31.7 0.1 1
2481 236 236 VAL CG1 C 23.0 0.1 1
2482 236 236 VAL CG2 C 21.8 0.1 1
2483 236 236 VAL N N 120.2 0.1 1
2484 237 237 ILE H H 8.27 0.01 1
2485 237 237 ILE HA H 3.60 0.01 1
2486 237 237 ILE HB H 1.89 0.01 1
2487 237 237 ILE HG12 H 1.49 0.01 2
2488 237 237 ILE HG13 H 0.89 0.01 2
2489 237 237 ILE HG2 H 0.79 0.01 1
2490 237 237 ILE HD1 H 0.64 0.01 1
2491 237 237 ILE C C 176.8 0.1 1
2492 237 237 ILE CA C 64.6 0.1 1
2493 237 237 ILE CB C 37.1 0.1 1
2494 237 237 ILE CG1 C 29.1 0.1 1
2495 237 237 ILE CG2 C 18.1 0.1 1
2496 237 237 ILE CD1 C 12.8 0.1 1
2497 237 237 ILE N N 124.2 0.1 1
2498 238 238 LYS H H 8.80 0.01 1
2499 238 238 LYS HA H 4.00 0.01 1
2500 238 238 LYS HB2 H 2.02 0.01 2
2501 238 238 LYS HB3 H 1.93 0.01 2
2502 238 238 LYS HG2 H 1.59 0.01 2
2503 238 238 LYS HG3 H 1.43 0.01 2
2504 238 238 LYS HD2 H 1.69 0.01 2
2505 238 238 LYS HD3 H 1.43 0.01 2
2506 238 238 LYS HE2 H 2.96 0.01 1
2507 238 238 LYS HE3 H 2.96 0.01 1
2508 238 238 LYS C C 179.5 0.1 1
2509 238 238 LYS CA C 59.6 0.1 1
2510 238 238 LYS CB C 32.8 0.1 1
2511 238 238 LYS CG C 24.8 0.1 1
2512 238 238 LYS CD C 29.5 0.1 1
2513 238 238 LYS CE C 42.0 0.1 1
2514 238 238 LYS N N 120.8 0.1 1
2515 239 239 GLN H H 8.05 0.01 1
2516 239 239 GLN HA H 4.08 0.01 1
2517 239 239 GLN HB2 H 2.18 0.01 1
2518 239 239 GLN HB3 H 2.18 0.01 1
2519 239 239 GLN HG2 H 2.59 0.01 2
2520 239 239 GLN HG3 H 2.42 0.01 2
2521 239 239 GLN HE21 H 7.40 0.01 2
2522 239 239 GLN HE22 H 6.80 0.01 2
2523 239 239 GLN C C 178.5 0.1 1
2524 239 239 GLN CA C 58.8 0.1 1
2525 239 239 GLN CB C 28.6 0.1 1
2526 239 239 GLN CG C 33.5 0.1 1
2527 239 239 GLN N N 118.4 0.1 1
2528 240 240 THR H H 8.17 0.01 1
2529 240 240 THR HA H 3.95 0.01 1
2530 240 240 THR HB H 4.19 0.01 1
2531 240 240 THR HG2 H 1.29 0.01 1
2532 240 240 THR C C 175.6 0.1 1
2533 240 240 THR CA C 67.1 0.1 1
2534 240 240 THR CB C 68.7 0.1 1
2535 240 240 THR CG2 C 20.7 0.1 1
2536 240 240 THR N N 116.7 0.1 1
2537 241 241 LEU H H 8.72 0.01 1
2538 241 241 LEU HA H 3.98 0.01 1
2539 241 241 LEU HB2 H 1.85 0.01 2
2540 241 241 LEU HB3 H 1.25 0.01 2
2541 241 241 LEU HG H 0.94 0.01 1
2542 241 241 LEU HD1 H 0.28 0.01 2
2543 241 241 LEU HD2 H 0.48 0.01 2
2544 241 241 LEU C C 178.8 0.1 1
2545 241 241 LEU CA C 57.6 0.1 1
2546 241 241 LEU CB C 39.7 0.1 1
2547 241 241 LEU CG C 26.0 0.1 1
2548 241 241 LEU CD1 C 25.9 0.1 1
2549 241 241 LEU CD2 C 22.1 0.1 1
2550 241 241 LEU N N 120.2 0.1 1
2551 242 242 THR H H 7.99 0.01 1
2552 242 242 THR HA H 3.99 0.01 1
2553 242 242 THR HB H 4.24 0.01 1
2554 242 242 THR HG2 H 1.28 0.01 1
2555 242 242 THR C C 176.0 0.1 1
2556 242 242 THR CA C 67.1 0.1 1
2557 242 242 THR CB C 68.9 0.1 1
2558 242 242 THR CG2 C 21.4 0.1 1
2559 242 242 THR N N 114.8 0.1 1
2560 243 243 LEU H H 7.15 0.01 1
2561 243 243 LEU HA H 4.01 0.01 1
2562 243 243 LEU HB2 H 1.58 0.01 1
2563 243 243 LEU HB3 H 1.58 0.01 1
2564 243 243 LEU HG H 1.20 0.01 1
2565 243 243 LEU HD1 H 0.75 0.01 2
2566 243 243 LEU HD2 H 0.51 0.01 2
2567 243 243 LEU C C 179.6 0.1 1
2568 243 243 LEU CA C 58.0 0.1 1
2569 243 243 LEU CB C 41.6 0.1 1
2570 243 243 LEU CG C 26.6 0.1 1
2571 243 243 LEU CD1 C 24.3 0.1 1
2572 243 243 LEU CD2 C 23.8 0.1 1
2573 243 243 LEU N N 121.3 0.1 1
2574 244 244 TYR H H 7.59 0.01 1
2575 244 244 TYR HA H 4.20 0.01 1
2576 244 244 TYR HB2 H 2.96 0.01 2
2577 244 244 TYR HB3 H 2.57 0.01 2
2578 244 244 TYR HD1 H 7.13 0.01 1
2579 244 244 TYR HD2 H 7.13 0.01 1
2580 244 244 TYR HE1 H 6.71 0.01 1
2581 244 244 TYR HE2 H 6.71 0.01 1
2582 244 244 TYR C C 176.8 0.1 1
2583 244 244 TYR CA C 62.7 0.1 1
2584 244 244 TYR CB C 38.6 0.1 1
2585 244 244 TYR CD1 C 130.1 0.1 1
2586 244 244 TYR CD2 C 130.1 0.1 1
2587 244 244 TYR CE1 C 115.4 0.1 1
2588 244 244 TYR CE2 C 115.4 0.1 1
2589 244 244 TYR N N 115.9 0.1 1
2590 245 245 ALA H H 9.21 0.01 1
2591 245 245 ALA HA H 4.17 0.01 1
2592 245 245 ALA HB H 1.60 0.01 1
2593 245 245 ALA C C 179.7 0.1 1
2594 245 245 ALA CA C 55.8 0.1 1
2595 245 245 ALA CB C 18.4 0.1 1
2596 245 245 ALA N N 123.9 0.1 1
2597 246 246 GLU H H 7.92 0.01 1
2598 246 246 GLU HA H 4.13 0.01 1
2599 246 246 GLU HB2 H 2.17 0.01 2
2600 246 246 GLU HB3 H 2.09 0.01 2
2601 246 246 GLU HG2 H 2.39 0.01 2
2602 246 246 GLU HG3 H 2.30 0.01 2
2603 246 246 GLU C C 178.7 0.1 1
2604 246 246 GLU CA C 58.7 0.1 1
2605 246 246 GLU CB C 29.0 0.1 1
2606 246 246 GLU CG C 36.2 0.1 1
2607 246 246 GLU N N 116.9 0.1 1
2608 247 247 ARG H H 7.48 0.01 1
2609 247 247 ARG HA H 4.03 0.01 1
2610 247 247 ARG HB2 H 2.08 0.01 1
2611 247 247 ARG HB3 H 2.08 0.01 1
2612 247 247 ARG HG2 H 1.88 0.01 2
2613 247 247 ARG HG3 H 1.69 0.01 2
2614 247 247 ARG HD2 H 3.16 0.01 1
2615 247 247 ARG HD3 H 3.16 0.01 1
2616 247 247 ARG C C 179.5 0.1 1
2617 247 247 ARG CA C 59.4 0.1 1
2618 247 247 ARG CB C 30.1 0.1 1
2619 247 247 ARG CG C 26.8 0.1 1
2620 247 247 ARG CD C 44.3 0.1 1
2621 247 247 ARG N N 119.4 0.1 1
2622 248 248 VAL H H 8.44 0.01 1
2623 248 248 VAL HA H 3.77 0.01 1
2624 248 248 VAL HB H 2.28 0.01 1
2625 248 248 VAL HG1 H 1.13 0.01 2
2626 248 248 VAL HG2 H 1.00 0.01 2
2627 248 248 VAL C C 179.2 0.1 1
2628 248 248 VAL CA C 66.0 0.1 1
2629 248 248 VAL CB C 31.5 0.1 1
2630 248 248 VAL CG1 C 22.4 0.1 1
2631 248 248 VAL CG2 C 21.6 0.1 1
2632 248 248 VAL N N 120.8 0.1 1
2633 249 249 ARG H H 8.57 0.01 1
2634 249 249 ARG HA H 3.81 0.01 1
2635 249 249 ARG HB2 H 1.87 0.01 1
2636 249 249 ARG HB3 H 1.87 0.01 1
2637 249 249 ARG HG2 H 1.98 0.01 2
2638 249 249 ARG HG3 H 1.53 0.01 2
2639 249 249 ARG HD2 H 3.11 0.01 1
2640 249 249 ARG HD3 H 3.11 0.01 1
2641 249 249 ARG C C 179.0 0.1 1
2642 249 249 ARG CA C 60.5 0.1 1
2643 249 249 ARG CB C 29.7 0.1 1
2644 249 249 ARG CG C 24.8 0.1 1
2645 249 249 ARG CD C 43.2 0.1 1
2646 249 249 ARG N N 120.3 0.1 1
2647 250 250 LYS H H 8.12 0.01 1
2648 250 250 LYS HA H 4.14 0.01 1
2649 250 250 LYS HB2 H 1.92 0.01 1
2650 250 250 LYS HB3 H 1.92 0.01 1
2651 250 250 LYS HG2 H 1.60 0.01 2
2652 250 250 LYS HG3 H 1.48 0.01 2
2653 250 250 LYS HD2 H 1.68 0.01 1
2654 250 250 LYS HD3 H 1.68 0.01 1
2655 250 250 LYS HE2 H 2.96 0.01 1
2656 250 250 LYS HE3 H 2.96 0.01 1
2657 250 250 LYS C C 178.5 0.1 1
2658 250 250 LYS CA C 58.7 0.1 1
2659 250 250 LYS CB C 32.0 0.1 1
2660 250 250 LYS CG C 25.2 0.1 1
2661 250 250 LYS CD C 28.9 0.1 1
2662 250 250 LYS CE C 42.0 0.1 1
2663 250 250 LYS N N 118.3 0.1 1
2664 251 251 SER H H 7.85 0.01 1
2665 251 251 SER HA H 4.40 0.01 1
2666 251 251 SER HB2 H 4.05 0.01 1
2667 251 251 SER HB3 H 4.05 0.01 1
2668 251 251 SER C C 175.5 0.1 1
2669 251 251 SER CA C 60.1 0.1 1
2670 251 251 SER CB C 63.7 0.1 1
2671 251 251 SER N N 114.4 0.1 1
2672 252 252 ARG H H 7.82 0.01 1
2673 252 252 ARG HA H 4.22 0.01 1
2674 252 252 ARG HB2 H 1.92 0.01 1
2675 252 252 ARG HB3 H 1.92 0.01 1
2676 252 252 ARG HG2 H 1.90 0.01 2
2677 252 252 ARG HG3 H 1.67 0.01 2
2678 252 252 ARG C C 176.9 0.1 1
2679 252 252 ARG CA C 57.6 0.1 1
2680 252 252 ARG CB C 30.6 0.1 1
2681 252 252 ARG CG C 26.8 0.1 1
2682 252 252 ARG N N 121.9 0.1 1
2683 253 253 ASP H H 8.04 0.01 1
2684 253 253 ASP HA H 4.60 0.01 1
2685 253 253 ASP HB2 H 2.69 0.01 1
2686 253 253 ASP HB3 H 2.69 0.01 1
2687 253 253 ASP C C 176.7 0.1 1
2688 253 253 ASP CA C 54.7 0.1 1
2689 253 253 ASP CB C 41.0 0.1 1
2690 253 253 ASP N N 119.6 0.1 1
2691 254 254 SER H H 8.02 0.01 1
2692 254 254 SER HA H 4.61 0.01 1
2693 254 254 SER HB2 H 4.33 0.01 1
2694 254 254 SER HB3 H 4.33 0.01 1
2695 254 254 SER C C 174.7 0.1 1
2696 254 254 SER CA C 59.0 0.1 1
2697 254 254 SER CB C 63.4 0.1 1
2698 254 254 SER N N 115.3 0.1 1
stop_
save_