data_15803
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
RalB in complex with its effector RLIP76
;
_BMRB_accession_number 15803
_BMRB_flat_file_name bmr15803.str
_Entry_type original
_Submission_date 2008-06-13
_Accession_date 2008-06-13
_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 Mott Helen R. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 1071
"13C chemical shifts" 759
"15N chemical shifts" 193
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-08-18 update BMRB 'added PubMed ID'
2008-12-03 update BMRB 'complete entry citation'
2008-11-05 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
15525 RalB-GMPPNP
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title '1H, 13C and 15N resonance assignments for the active conformation of the small G proteins RalB in complex with its effector RLIP76'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19636899
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Fenwick 'R. Bryn' . .
2 Prasannan Sunil . .
3 Campbell Louise J. .
4 Evetts Katrina A. .
5 Nietlispach Daniel . .
6 Owen Darerca . .
7 Mott Helen R. .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_name_full 'Biomolecular NMR Assignments'
_Journal_volume 2
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 179
_Page_last 182
_Year 2008
_Details .
loop_
_Keyword
Endocytosis
GTPase
Ral
RalBP1
RLIP76
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'RalB-RLIP complex'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
RalB $RalB
RLIP76 $RLIP76
GNP $GNP
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_RalB
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common RalB
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 188
_Mol_residue_sequence
;
GSHMAANKSKGQSSLALHKV
IMVGSGGVGKSALTLQFMYD
EFVEDYEPTKADSYRKKVVL
DGEEVQIDILDTAGLEDYAA
IRDNYFRSGEGFLLVFSITE
HESFTATAEFREQILRVKAE
EDKIPLLVVGNKSDLEERRQ
VPVEEARSKAEEWGVQYVET
SAKTRANVDKVFFDLMREIR
TKKMSENK
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 HIS 4 MET 5 ALA
6 ALA 7 ASN 8 LYS 9 SER 10 LYS
11 GLY 12 GLN 13 SER 14 SER 15 LEU
16 ALA 17 LEU 18 HIS 19 LYS 20 VAL
21 ILE 22 MET 23 VAL 24 GLY 25 SER
26 GLY 27 GLY 28 VAL 29 GLY 30 LYS
31 SER 32 ALA 33 LEU 34 THR 35 LEU
36 GLN 37 PHE 38 MET 39 TYR 40 ASP
41 GLU 42 PHE 43 VAL 44 GLU 45 ASP
46 TYR 47 GLU 48 PRO 49 THR 50 LYS
51 ALA 52 ASP 53 SER 54 TYR 55 ARG
56 LYS 57 LYS 58 VAL 59 VAL 60 LEU
61 ASP 62 GLY 63 GLU 64 GLU 65 VAL
66 GLN 67 ILE 68 ASP 69 ILE 70 LEU
71 ASP 72 THR 73 ALA 74 GLY 75 LEU
76 GLU 77 ASP 78 TYR 79 ALA 80 ALA
81 ILE 82 ARG 83 ASP 84 ASN 85 TYR
86 PHE 87 ARG 88 SER 89 GLY 90 GLU
91 GLY 92 PHE 93 LEU 94 LEU 95 VAL
96 PHE 97 SER 98 ILE 99 THR 100 GLU
101 HIS 102 GLU 103 SER 104 PHE 105 THR
106 ALA 107 THR 108 ALA 109 GLU 110 PHE
111 ARG 112 GLU 113 GLN 114 ILE 115 LEU
116 ARG 117 VAL 118 LYS 119 ALA 120 GLU
121 GLU 122 ASP 123 LYS 124 ILE 125 PRO
126 LEU 127 LEU 128 VAL 129 VAL 130 GLY
131 ASN 132 LYS 133 SER 134 ASP 135 LEU
136 GLU 137 GLU 138 ARG 139 ARG 140 GLN
141 VAL 142 PRO 143 VAL 144 GLU 145 GLU
146 ALA 147 ARG 148 SER 149 LYS 150 ALA
151 GLU 152 GLU 153 TRP 154 GLY 155 VAL
156 GLN 157 TYR 158 VAL 159 GLU 160 THR
161 SER 162 ALA 163 LYS 164 THR 165 ARG
166 ALA 167 ASN 168 VAL 169 ASP 170 LYS
171 VAL 172 PHE 173 PHE 174 ASP 175 LEU
176 MET 177 ARG 178 GLU 179 ILE 180 ARG
181 THR 182 LYS 183 LYS 184 MET 185 SER
186 GLU 187 ASN 188 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 15230 RalB 98.94 186 100.00 100.00 1.53e-131
PDB 2KE5 "Solution Structure And Dynamics Of The Small Gtpase Ralb In Its Active Conformation: Significance For Effector Protein Binding" 92.55 174 100.00 100.00 1.06e-121
PDB 2KWI "Ralb-Rlip76 (Ralbp1) Complex" 94.68 178 100.00 100.00 9.00e-125
DBJ BAE02438 "unnamed protein product [Macaca fascicularis]" 98.40 206 99.46 99.46 3.04e-129
DBJ BAG35360 "unnamed protein product [Homo sapiens]" 98.40 206 99.46 99.46 2.17e-129
DBJ BAG64302 "unnamed protein product [Homo sapiens]" 99.47 228 98.93 98.93 3.79e-130
DBJ BAJ20798 "v-ral simian leukemia viral oncogene homolog B [synthetic construct]" 98.40 206 99.46 99.46 2.17e-129
EMBL CAA33119 "unnamed protein product [Homo sapiens]" 98.40 206 99.46 99.46 2.17e-129
EMBL CAH93398 "hypothetical protein [Pongo abelii]" 98.40 206 99.46 99.46 2.17e-129
GB AAA60250 "GTP-binding protein (RALB) [Homo sapiens]" 98.40 206 99.46 99.46 2.17e-129
GB AAH18163 "V-ral simian leukemia viral oncogene homolog B (ras related; GTP binding protein) [Homo sapiens]" 98.40 206 99.46 99.46 2.17e-129
GB AAI46174 "RALB protein [Bos taurus]" 98.40 206 97.84 98.38 1.63e-126
GB AAM12625 "Ras family small GTP binding protein RALB [Homo sapiens]" 98.40 206 99.46 99.46 2.17e-129
GB AAP35599 "v-ral simian leukemia viral oncogene homolog B (ras related; GTP binding protein) [Homo sapiens]" 98.40 206 99.46 99.46 2.17e-129
REF NP_001091454 "ras-related protein Ral-B [Bos taurus]" 98.40 206 97.84 98.38 1.63e-126
REF NP_001126995 "ras-related protein Ral-B precursor [Pongo abelii]" 98.40 206 99.46 99.46 2.17e-129
REF NP_001244728 "ras-related protein Ral-B [Macaca mulatta]" 98.40 206 99.46 99.46 3.04e-129
REF NP_002872 "ras-related protein Ral-B [Homo sapiens]" 98.40 206 99.46 99.46 2.17e-129
REF XP_001492315 "PREDICTED: ras-related protein Ral-B [Equus caballus]" 98.40 206 97.30 97.84 5.13e-127
SP P11234 "RecName: Full=Ras-related protein Ral-B; Flags: Precursor" 98.40 206 99.46 99.46 2.17e-129
SP Q4R379 "RecName: Full=Ras-related protein Ral-B; Flags: Precursor" 98.40 206 99.46 99.46 3.04e-129
SP Q5R4B8 "RecName: Full=Ras-related protein Ral-B; Flags: Precursor" 98.40 206 99.46 99.46 2.17e-129
TPG DAA32595 "TPA: v-ral simian leukemia viral oncogene homolog B [Bos taurus]" 98.40 206 97.84 98.38 1.63e-126
stop_
save_
save_RLIP76
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common RLIP76
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
_Residue_count 56
_Mol_residue_sequence
;
GSETQAGIKEEIRRQEFLLN
SLHRDLQGGIKDLSKEERLW
EVQRILTALKRKLREA
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 391 GLY 2 392 SER 3 393 GLU 4 394 THR 5 395 GLN
6 396 ALA 7 397 GLY 8 398 ILE 9 399 LYS 10 400 GLU
11 401 GLU 12 402 ILE 13 403 ARG 14 404 ARG 15 405 GLN
16 406 GLU 17 407 PHE 18 408 LEU 19 409 LEU 20 410 ASN
21 411 SER 22 412 LEU 23 413 HIS 24 414 ARG 25 415 ASP
26 416 LEU 27 417 GLN 28 418 GLY 29 419 GLY 30 420 ILE
31 421 LYS 32 422 ASP 33 423 LEU 34 424 SER 35 425 LYS
36 426 GLU 37 427 GLU 38 428 ARG 39 429 LEU 40 430 TRP
41 431 GLU 42 432 VAL 43 433 GLN 44 434 ARG 45 435 ILE
46 436 LEU 47 437 THR 48 438 ALA 49 439 LEU 50 440 LYS
51 441 ARG 52 442 LYS 53 443 LEU 54 444 ARG 55 445 GLU
56 446 ALA
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-31
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 15524 RLIP76 100.00 56 100.00 100.00 3.86e-29
BMRB 15525 RLIP76 100.00 56 100.00 100.00 3.86e-29
PDB 2KWH "Ral Binding Domain Of Rlip76 (Ralbp1)" 100.00 56 100.00 100.00 3.86e-29
PDB 2KWI "Ralb-Rlip76 (Ralbp1) Complex" 100.00 56 100.00 100.00 3.86e-29
GB AAI45321 "Ralbp1 protein [Mus musculus]" 75.00 594 97.62 97.62 2.09e-17
REF XP_004656898 "PREDICTED: ralA-binding protein 1 isoform X2 [Jaculus jaculus]" 75.00 601 97.62 97.62 2.19e-17
REF XP_005077223 "PREDICTED: ralA-binding protein 1 isoform X2 [Mesocricetus auratus]" 75.00 589 97.62 97.62 2.04e-17
stop_
save_
#############
# Ligands #
#############
save_GNP
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "GNP (PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER)"
_BMRB_code .
_PDB_code GNP
_Molecular_mass 522.196
_Mol_charge 0
_Mol_paramagnetic .
_Mol_aromatic yes
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Oct 21 12:48:02 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
PG PG P . 0 . ?
O1G O1G O . 0 . ?
O2G O2G O . 0 . ?
O3G O3G O . 0 . ?
N3B N3B N . 0 . ?
PB PB P . 0 . ?
O1B O1B O . 0 . ?
O2B O2B O . 0 . ?
O3A O3A O . 0 . ?
PA PA P . 0 . ?
O1A O1A O . 0 . ?
O2A O2A O . 0 . ?
O5' O5' O . 0 . ?
C5' C5' C . 0 . ?
C4' C4' C . 0 . ?
O4' O4' O . 0 . ?
C3' C3' C . 0 . ?
O3' O3' O . 0 . ?
C2' C2' C . 0 . ?
O2' O2' O . 0 . ?
C1' C1' C . 0 . ?
N9 N9 N . 0 . ?
C8 C8 C . 0 . ?
N7 N7 N . 0 . ?
C5 C5 C . 0 . ?
C6 C6 C . 0 . ?
O6 O6 O . 0 . ?
N1 N1 N . 0 . ?
C2 C2 C . 0 . ?
N2 N2 N . 0 . ?
N3 N3 N . 0 . ?
C4 C4 C . 0 . ?
HOG2 HOG2 H . 0 . ?
HOG3 HOG3 H . 0 . ?
HNB3 HNB3 H . 0 . ?
HOB2 HOB2 H . 0 . ?
HOA2 HOA2 H . 0 . ?
H5'2 H5'2 H . 0 . ?
H5'1 H5'1 H . 0 . ?
H4' H4' H . 0 . ?
H3' H3' H . 0 . ?
HO3' HO3' H . 0 . ?
H2' H2' H . 0 . ?
HO2' HO2' H . 0 . ?
H1' H1' H . 0 . ?
H8 H8 H . 0 . ?
HN1 HN1 H . 0 . ?
HN21 HN21 H . 0 . ?
HN22 HN22 H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
DOUB PG O1G ? ?
SING PG O2G ? ?
SING PG O3G ? ?
SING PG N3B ? ?
SING O2G HOG2 ? ?
SING O3G HOG3 ? ?
SING N3B PB ? ?
SING N3B HNB3 ? ?
DOUB PB O1B ? ?
SING PB O2B ? ?
SING PB O3A ? ?
SING O2B HOB2 ? ?
SING O3A PA ? ?
DOUB PA O1A ? ?
SING PA O2A ? ?
SING PA O5' ? ?
SING O2A HOA2 ? ?
SING O5' C5' ? ?
SING C5' C4' ? ?
SING C5' H5'2 ? ?
SING C5' H5'1 ? ?
SING C4' O4' ? ?
SING C4' C3' ? ?
SING C4' H4' ? ?
SING O4' C1' ? ?
SING C3' O3' ? ?
SING C3' C2' ? ?
SING C3' H3' ? ?
SING O3' HO3' ? ?
SING C2' O2' ? ?
SING C2' C1' ? ?
SING C2' H2' ? ?
SING O2' HO2' ? ?
SING C1' N9 ? ?
SING C1' H1' ? ?
SING N9 C8 ? ?
SING N9 C4 ? ?
DOUB C8 N7 ? ?
SING C8 H8 ? ?
SING N7 C5 ? ?
SING C5 C6 ? ?
DOUB C5 C4 ? ?
DOUB C6 O6 ? ?
SING C6 N1 ? ?
SING N1 C2 ? ?
SING N1 HN1 ? ?
SING C2 N2 ? ?
DOUB C2 N3 ? ?
SING N2 HN21 ? ?
SING N2 HN22 ? ?
SING N3 C4 ? ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$RalB Human 9606 Eukaryota Metazoa Homo sapiens
$RLIP76 Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$RalB 'recombinant technology' . Escherichia coli . pet16b
$RLIP76 'recombinant technology' . Escherichia coli . pGex2T
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$RalB 0.8 mM '[U-99% 15N]'
$RLIP76 0.8 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$RalB 0.8 mM '[U-99% 13C; U-99% 15N]'
$RLIP76 0.8 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_AZARA
_Saveframe_category software
_Name AZARA
_Version .
loop_
_Vendor
_Address
_Electronic_address
Boucher . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_Analysis
_Saveframe_category software
_Name Analysis
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Wranken etal' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_HNCA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_2
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_2
save_
save_3D_HN(CO)CA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_2
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_2
save_
save_3D_CBCA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_2
save_
save_3D_H(CCO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_2
save_
save_2D_1H-13C_HSQC_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_2
save_
save_3D_HCCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_2
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.16 . M
pH 7.6 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0.00 . 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_assigned_chem_shift_list_1_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCA'
'3D HNCO'
'3D HN(CO)CA'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D H(CCO)NH'
'2D 1H-13C HSQC'
'3D HCCH-TOCSY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name RalB
_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 3 3 HIS HD2 H 7.029 0.000 1
2 3 3 HIS HE1 H 7.924 0.000 1
3 3 3 HIS CD2 C 120.013 0.000 1
4 3 3 HIS CE1 C 138.399 0.000 1
5 5 5 ALA H H 8.497 0.000 1
6 5 5 ALA HB H 1.421 0.000 1
7 5 5 ALA CB C 19.184 0.000 1
8 5 5 ALA N N 126.114 0.000 1
9 6 6 ALA H H 8.262 0.000 1
10 6 6 ALA HB H 1.310 0.000 1
11 6 6 ALA CB C 19.193 0.000 1
12 6 6 ALA N N 123.108 0.000 1
13 7 7 ASN H H 8.295 0.000 1
14 7 7 ASN N N 117.377 0.000 1
15 8 8 LYS H H 8.215 0.000 1
16 8 8 LYS N N 121.482 0.000 1
17 9 9 SER H H 8.247 0.000 1
18 9 9 SER C C 172.016 0.000 1
19 9 9 SER N N 116.485 0.000 1
20 10 10 LYS H H 8.554 0.000 1
21 10 10 LYS C C 174.811 0.000 1
22 10 10 LYS N N 123.407 0.008 1
23 11 11 GLY H H 8.425 0.004 1
24 11 11 GLY HA2 H 3.873 0.002 1
25 11 11 GLY HA3 H 3.873 0.002 1
26 11 11 GLY C C 171.766 0.000 1
27 11 11 GLY CA C 45.316 0.015 1
28 11 11 GLY N N 109.713 0.018 1
29 12 12 GLN H H 8.229 0.002 1
30 12 12 GLN HA H 4.294 0.001 1
31 12 12 GLN HB2 H 1.916 0.006 2
32 12 12 GLN HB3 H 2.039 0.001 2
33 12 12 GLN HE21 H 6.788 0.004 1
34 12 12 GLN HE22 H 7.466 0.007 1
35 12 12 GLN HG2 H 2.270 0.003 1
36 12 12 GLN HG3 H 2.270 0.003 1
37 12 12 GLN C C 173.954 0.000 1
38 12 12 GLN CA C 56.094 0.021 1
39 12 12 GLN CB C 29.565 0.001 1
40 12 12 GLN CG C 33.800 0.039 1
41 12 12 GLN N N 119.740 0.019 1
42 12 12 GLN NE2 N 112.129 0.049 1
43 13 13 SER H H 8.403 0.004 1
44 13 13 SER HA H 4.342 0.004 1
45 13 13 SER HB2 H 3.755 0.015 2
46 13 13 SER HB3 H 3.800 0.003 2
47 13 13 SER C C 172.385 0.000 1
48 13 13 SER CA C 58.710 0.068 1
49 13 13 SER CB C 63.807 0.068 1
50 13 13 SER N N 117.303 0.043 1
51 14 14 SER H H 8.515 0.005 1
52 14 14 SER HA H 4.442 0.010 1
53 14 14 SER HB2 H 3.804 0.005 2
54 14 14 SER HB3 H 3.752 0.015 2
55 14 14 SER C C 172.832 0.000 1
56 14 14 SER CA C 58.247 0.104 1
57 14 14 SER CB C 63.862 0.059 1
58 14 14 SER N N 117.372 0.017 1
59 15 15 LEU H H 8.218 0.005 1
60 15 15 LEU HA H 4.080 0.008 1
61 15 15 LEU HB2 H 1.577 0.006 2
62 15 15 LEU HB3 H 1.524 0.015 2
63 15 15 LEU HD1 H 0.833 0.005 2
64 15 15 LEU HD2 H 0.799 0.007 2
65 15 15 LEU HG H 1.634 0.005 1
66 15 15 LEU C C 173.747 0.000 1
67 15 15 LEU CA C 55.667 0.027 1
68 15 15 LEU CB C 41.859 0.101 1
69 15 15 LEU CD1 C 25.293 0.031 2
70 15 15 LEU CD2 C 24.250 0.025 2
71 15 15 LEU CG C 27.284 0.038 1
72 15 15 LEU N N 123.753 0.082 1
73 16 16 ALA H H 8.015 0.009 1
74 16 16 ALA HA H 4.181 0.008 1
75 16 16 ALA HB H 1.213 0.005 1
76 16 16 ALA C C 173.265 0.000 1
77 16 16 ALA CA C 51.640 0.082 1
78 16 16 ALA CB C 19.485 0.023 1
79 16 16 ALA N N 120.457 0.062 1
80 17 17 LEU H H 6.867 0.018 1
81 17 17 LEU HA H 4.972 0.009 1
82 17 17 LEU HB2 H 1.324 0.010 2
83 17 17 LEU HB3 H 1.094 0.019 2
84 17 17 LEU HD1 H 0.551 0.004 2
85 17 17 LEU HD2 H 0.531 0.007 2
86 17 17 LEU HG H 0.949 0.005 1
87 17 17 LEU C C 172.086 0.000 1
88 17 17 LEU CA C 53.687 0.124 1
89 17 17 LEU CB C 44.723 0.033 1
90 17 17 LEU CD1 C 25.497 0.055 2
91 17 17 LEU CD2 C 23.424 0.089 2
92 17 17 LEU CG C 27.945 0.041 1
93 17 17 LEU N N 122.673 0.031 1
94 18 18 HIS H H 8.366 0.006 1
95 18 18 HIS HA H 5.341 0.006 1
96 18 18 HIS HB2 H 2.717 0.010 2
97 18 18 HIS HB3 H 2.655 0.011 2
98 18 18 HIS HD2 H 6.575 0.009 1
99 18 18 HIS HE1 H 7.278 0.008 1
100 18 18 HIS C C 172.169 0.000 1
101 18 18 HIS CA C 53.457 0.099 1
102 18 18 HIS CB C 33.553 0.080 1
103 18 18 HIS CD2 C 117.093 0.100 1
104 18 18 HIS CE1 C 137.765 0.064 1
105 18 18 HIS N N 124.934 0.038 1
106 19 19 LYS H H 8.421 0.003 1
107 19 19 LYS HA H 4.751 0.019 1
108 19 19 LYS HB2 H 1.330 0.011 2
109 19 19 LYS HB3 H 1.586 0.001 2
110 19 19 LYS HD2 H 0.585 0.009 2
111 19 19 LYS HD3 H 0.844 0.007 2
112 19 19 LYS HE2 H 2.096 0.006 2
113 19 19 LYS HE3 H 2.278 0.004 2
114 19 19 LYS HG2 H 0.551 0.004 2
115 19 19 LYS HG3 H 0.834 0.005 2
116 19 19 LYS C C 173.090 0.008 1
117 19 19 LYS CB C 33.668 0.109 1
118 19 19 LYS CD C 29.342 0.052 1
119 19 19 LYS CE C 41.571 0.046 1
120 19 19 LYS CG C 25.427 0.070 1
121 19 19 LYS N N 122.871 0.077 1
122 20 20 VAL H H 9.666 0.010 1
123 20 20 VAL HA H 4.506 0.013 1
124 20 20 VAL HB H 1.933 0.009 1
125 20 20 VAL HG1 H 0.655 0.008 2
126 20 20 VAL HG2 H 0.716 0.008 2
127 20 20 VAL C C 171.270 0.000 1
128 20 20 VAL CA C 61.170 0.033 1
129 20 20 VAL CB C 35.068 0.134 1
130 20 20 VAL CG1 C 21.283 0.058 2
131 20 20 VAL CG2 C 21.346 0.027 2
132 20 20 VAL N N 126.887 0.037 1
133 21 21 ILE H H 7.983 0.004 1
134 21 21 ILE HA H 4.977 0.006 1
135 21 21 ILE HB H 1.575 0.006 1
136 21 21 ILE HD1 H 0.994 0.008 1
137 21 21 ILE HG12 H 1.178 0.000 2
138 21 21 ILE HG13 H 1.427 0.005 2
139 21 21 ILE HG2 H 0.923 0.007 1
140 21 21 ILE C C 172.695 0.000 1
141 21 21 ILE CA C 59.245 0.143 1
142 21 21 ILE CB C 38.780 0.063 1
143 21 21 ILE CD1 C 15.553 0.045 1
144 21 21 ILE CG1 C 27.943 0.039 1
145 21 21 ILE CG2 C 17.850 0.041 1
146 21 21 ILE N N 123.798 0.056 1
147 22 22 MET H H 8.420 0.005 1
148 22 22 MET HA H 5.052 0.017 1
149 22 22 MET HB2 H 1.700 0.000 2
150 22 22 MET HB3 H 2.379 0.007 2
151 22 22 MET HE H 1.808 0.008 1
152 22 22 MET C C 173.259 0.000 1
153 22 22 MET CA C 52.785 0.088 1
154 22 22 MET CB C 31.292 0.089 1
155 22 22 MET CE C 16.020 0.022 1
156 22 22 MET N N 123.260 0.055 1
157 23 23 VAL H H 9.031 0.005 1
158 23 23 VAL HA H 4.299 0.009 1
159 23 23 VAL HB H 1.813 0.007 1
160 23 23 VAL HG1 H 0.727 0.013 2
161 23 23 VAL HG2 H 0.829 0.006 2
162 23 23 VAL CA C 59.995 0.115 1
163 23 23 VAL CB C 35.257 0.171 1
164 23 23 VAL CG1 C 22.702 0.126 2
165 23 23 VAL CG2 C 23.148 0.039 2
166 23 23 VAL N N 122.730 0.040 1
167 24 24 GLY H H 7.743 0.008 1
168 24 24 GLY N N 112.261 0.029 1
169 25 25 SER H H 9.408 0.006 1
170 25 25 SER HA H 4.389 0.022 1
171 25 25 SER HB2 H 3.977 0.007 1
172 25 25 SER HB3 H 3.977 0.007 1
173 25 25 SER C C 171.692 0.000 1
174 25 25 SER CB C 63.884 0.071 1
175 25 25 SER N N 115.754 0.076 1
176 26 26 GLY H H 8.448 0.003 1
177 26 26 GLY HA2 H 3.649 0.011 2
178 26 26 GLY HA3 H 4.736 0.004 2
179 26 26 GLY C C 174.117 0.000 1
180 26 26 GLY CA C 46.729 0.034 1
181 26 26 GLY N N 106.659 0.069 1
182 27 27 GLY H H 9.119 0.003 1
183 27 27 GLY HA2 H 3.931 0.002 2
184 27 27 GLY HA3 H 3.047 0.000 2
185 27 27 GLY C C 171.308 0.000 1
186 27 27 GLY CA C 45.994 0.158 1
187 27 27 GLY N N 113.413 0.015 1
188 28 28 VAL H H 7.177 0.007 1
189 28 28 VAL HA H 3.702 0.006 1
190 28 28 VAL HB H 1.849 0.004 1
191 28 28 VAL HG1 H 0.835 0.012 2
192 28 28 VAL HG2 H 0.934 0.012 2
193 28 28 VAL C C 172.050 0.000 1
194 28 28 VAL CA C 63.041 0.003 1
195 28 28 VAL CB C 31.691 0.064 1
196 28 28 VAL CG1 C 17.436 0.076 2
197 28 28 VAL CG2 C 22.383 0.053 2
198 28 28 VAL N N 111.692 0.033 1
199 29 29 GLY H H 8.234 0.004 1
200 29 29 GLY HA2 H 4.281 0.009 2
201 29 29 GLY HA3 H 4.647 0.012 2
202 29 29 GLY C C 171.564 0.000 1
203 29 29 GLY CA C 45.484 0.060 1
204 29 29 GLY N N 107.107 0.076 1
205 30 30 LYS H H 8.980 0.006 1
206 30 30 LYS HA H 3.568 0.004 1
207 30 30 LYS HB2 H 1.620 0.003 2
208 30 30 LYS HB3 H 2.376 0.015 2
209 30 30 LYS C C 177.153 0.000 1
210 30 30 LYS CA C 61.218 0.055 1
211 30 30 LYS CB C 30.273 0.014 1
212 30 30 LYS N N 123.037 0.053 1
213 31 31 SER H H 9.445 0.006 1
214 31 31 SER HA H 4.121 0.012 1
215 31 31 SER HB2 H 3.770 0.003 1
216 31 31 SER HB3 H 3.770 0.003 1
217 31 31 SER HG H 4.154 0.007 1
218 31 31 SER C C 173.214 0.000 1
219 31 31 SER CA C 61.319 0.058 1
220 31 31 SER N N 120.419 0.057 1
221 32 32 ALA H H 9.409 0.006 1
222 32 32 ALA HA H 4.109 0.010 1
223 32 32 ALA HB H 1.355 0.006 1
224 32 32 ALA C C 179.625 0.000 1
225 32 32 ALA CA C 54.430 0.020 1
226 32 32 ALA CB C 18.768 0.067 1
227 32 32 ALA N N 126.089 0.048 1
228 33 33 LEU H H 8.662 0.005 1
229 33 33 LEU HA H 3.856 0.006 1
230 33 33 LEU HB2 H 1.140 0.010 2
231 33 33 LEU HB3 H 2.121 0.010 2
232 33 33 LEU HD1 H 0.570 0.007 2
233 33 33 LEU HD2 H 0.761 0.007 2
234 33 33 LEU HG H 1.843 0.006 1
235 33 33 LEU C C 175.591 0.000 1
236 33 33 LEU CA C 58.981 0.115 1
237 33 33 LEU CB C 43.579 0.112 1
238 33 33 LEU CD1 C 26.657 0.058 2
239 33 33 LEU CD2 C 24.288 0.036 2
240 33 33 LEU CG C 27.404 0.076 1
241 33 33 LEU N N 119.273 0.050 1
242 34 34 THR H H 7.555 0.005 1
243 34 34 THR HA H 4.167 0.008 1
244 34 34 THR HB H 3.383 0.005 1
245 34 34 THR HG1 H 4.342 0.009 1
246 34 34 THR HG2 H 0.537 0.004 1
247 34 34 THR C C 173.737 0.000 1
248 34 34 THR CA C 68.052 0.051 1
249 34 34 THR CB C 68.431 0.031 1
250 34 34 THR CG2 C 22.930 0.054 1
251 34 34 THR N N 116.288 0.070 1
252 35 35 LEU H H 9.067 0.004 1
253 35 35 LEU HA H 3.654 0.013 1
254 35 35 LEU HB2 H 1.901 0.007 2
255 35 35 LEU HB3 H 1.430 0.012 2
256 35 35 LEU HD1 H 0.714 0.004 2
257 35 35 LEU HD2 H 0.748 0.005 2
258 35 35 LEU HG H 1.622 0.005 1
259 35 35 LEU C C 178.363 0.000 1
260 35 35 LEU CA C 58.273 0.049 1
261 35 35 LEU CB C 40.791 0.043 1
262 35 35 LEU CD1 C 25.365 0.050 2
263 35 35 LEU CD2 C 22.259 0.040 2
264 35 35 LEU CG C 27.320 0.000 1
265 35 35 LEU N N 120.839 0.081 1
266 36 36 GLN H H 7.840 0.007 1
267 36 36 GLN HA H 4.501 0.012 1
268 36 36 GLN HB2 H 1.928 0.005 2
269 36 36 GLN HB3 H 1.967 0.000 2
270 36 36 GLN HE21 H 6.412 0.010 1
271 36 36 GLN HE22 H 7.707 0.005 1
272 36 36 GLN HG2 H 2.309 0.000 2
273 36 36 GLN HG3 H 2.650 0.015 2
274 36 36 GLN C C 176.304 0.000 1
275 36 36 GLN CB C 30.563 0.050 1
276 36 36 GLN N N 121.364 0.053 1
277 36 36 GLN NE2 N 107.375 0.058 1
278 37 37 PHE H H 7.924 0.006 1
279 37 37 PHE HA H 3.767 0.009 1
280 37 37 PHE HB2 H 2.594 0.007 2
281 37 37 PHE HB3 H 2.227 0.013 2
282 37 37 PHE HD1 H 6.461 0.013 3
283 37 37 PHE HD2 H 6.461 0.013 3
284 37 37 PHE HE1 H 6.871 0.007 3
285 37 37 PHE HE2 H 6.871 0.007 3
286 37 37 PHE HZ H 6.633 0.003 1
287 37 37 PHE C C 175.560 0.000 1
288 37 37 PHE CA C 61.374 0.059 1
289 37 37 PHE CB C 39.714 0.074 1
290 37 37 PHE CD1 C 131.781 0.075 3
291 37 37 PHE CD2 C 131.781 0.075 3
292 37 37 PHE CE1 C 130.335 0.094 3
293 37 37 PHE CE2 C 130.335 0.094 3
294 37 37 PHE CZ C 127.411 0.039 1
295 37 37 PHE N N 119.667 0.061 1
296 38 38 MET H H 8.562 0.004 1
297 38 38 MET HA H 3.573 0.011 1
298 38 38 MET HB2 H -0.086 0.006 2
299 38 38 MET HB3 H 1.032 0.008 2
300 38 38 MET HE H 1.660 0.006 1
301 38 38 MET HG2 H 1.876 0.000 1
302 38 38 MET HG3 H 1.876 0.000 1
303 38 38 MET C C 175.993 0.000 1
304 38 38 MET CA C 55.765 0.105 1
305 38 38 MET CB C 30.295 0.063 1
306 38 38 MET CE C 15.247 0.039 1
307 38 38 MET N N 114.121 0.104 1
308 39 39 TYR H H 7.633 0.005 1
309 39 39 TYR HA H 4.953 0.009 1
310 39 39 TYR HB2 H 2.447 0.011 2
311 39 39 TYR HB3 H 3.403 0.006 2
312 39 39 TYR HD1 H 6.958 0.007 3
313 39 39 TYR HD2 H 6.958 0.007 3
314 39 39 TYR HE1 H 6.626 0.003 3
315 39 39 TYR HE2 H 6.626 0.003 3
316 39 39 TYR C C 172.778 0.000 1
317 39 39 TYR CA C 56.068 0.033 1
318 39 39 TYR CB C 41.039 0.061 1
319 39 39 TYR CD1 C 133.542 0.061 3
320 39 39 TYR CD2 C 133.542 0.061 3
321 39 39 TYR CE1 C 117.252 0.051 3
322 39 39 TYR CE2 C 117.252 0.051 3
323 39 39 TYR N N 114.936 0.096 1
324 40 40 ASP H H 8.198 0.004 1
325 40 40 ASP HA H 4.755 0.002 1
326 40 40 ASP HB2 H 2.859 0.008 2
327 40 40 ASP HB3 H 2.845 0.010 2
328 40 40 ASP C C 172.611 0.000 1
329 40 40 ASP CA C 55.749 0.050 1
330 40 40 ASP CB C 38.991 0.090 1
331 40 40 ASP N N 118.421 0.056 1
332 41 41 GLU H H 6.953 0.010 1
333 41 41 GLU HA H 4.490 0.009 1
334 41 41 GLU HB2 H 1.690 0.008 2
335 41 41 GLU HB3 H 1.615 0.015 2
336 41 41 GLU HG2 H 1.963 0.008 2
337 41 41 GLU HG3 H 2.041 0.015 2
338 41 41 GLU C C 172.163 0.000 1
339 41 41 GLU CA C 54.303 0.063 1
340 41 41 GLU CB C 33.490 0.041 1
341 41 41 GLU CG C 35.632 0.072 1
342 41 41 GLU N N 116.210 0.067 1
343 42 42 PHE H H 8.326 0.003 1
344 42 42 PHE HA H 4.869 0.003 1
345 42 42 PHE HB2 H 2.679 0.008 2
346 42 42 PHE HB3 H 2.918 0.010 2
347 42 42 PHE HD1 H 6.922 0.008 3
348 42 42 PHE HD2 H 6.922 0.008 3
349 42 42 PHE HE1 H 6.361 0.012 3
350 42 42 PHE HE2 H 6.361 0.012 3
351 42 42 PHE HZ H 6.479 0.004 1
352 42 42 PHE C C 172.125 0.000 1
353 42 42 PHE CA C 55.989 0.024 1
354 42 42 PHE CB C 40.542 0.099 1
355 42 42 PHE CD1 C 131.906 0.034 3
356 42 42 PHE CD2 C 131.906 0.034 3
357 42 42 PHE CE1 C 129.719 0.036 3
358 42 42 PHE CE2 C 129.719 0.036 3
359 42 42 PHE CZ C 129.816 0.044 1
360 42 42 PHE N N 120.867 0.040 1
361 43 43 VAL H H 7.415 0.004 1
362 43 43 VAL HA H 3.911 0.004 1
363 43 43 VAL HB H 1.739 0.003 1
364 43 43 VAL HG1 H 0.718 0.005 2
365 43 43 VAL HG2 H 0.746 0.004 2
366 43 43 VAL C C 171.712 0.000 1
367 43 43 VAL CA C 60.116 0.044 1
368 43 43 VAL CB C 33.044 0.034 1
369 43 43 VAL CG1 C 19.972 0.124 2
370 43 43 VAL CG2 C 20.757 0.048 2
371 43 43 VAL N N 126.618 0.035 1
372 44 44 GLU H H 8.122 0.006 1
373 44 44 GLU HA H 3.559 0.007 1
374 44 44 GLU HB2 H 1.920 0.002 2
375 44 44 GLU HB3 H 1.703 0.005 2
376 44 44 GLU HG2 H 2.102 0.003 2
377 44 44 GLU HG3 H 2.185 0.015 2
378 44 44 GLU C C 175.259 0.000 1
379 44 44 GLU CA C 57.714 0.091 1
380 44 44 GLU CB C 30.649 0.033 1
381 44 44 GLU CG C 36.786 0.047 1
382 44 44 GLU N N 124.146 0.034 1
383 45 45 ASP H H 7.557 0.003 1
384 45 45 ASP HA H 4.492 0.007 1
385 45 45 ASP HB2 H 2.336 0.002 2
386 45 45 ASP HB3 H 2.485 0.004 2
387 45 45 ASP C C 172.108 0.000 1
388 45 45 ASP CA C 53.966 0.062 1
389 45 45 ASP CB C 41.539 0.056 1
390 45 45 ASP N N 119.606 0.057 1
391 46 46 TYR H H 8.613 0.006 1
392 46 46 TYR HA H 4.954 0.001 1
393 46 46 TYR HB2 H 2.830 0.001 2
394 46 46 TYR HB3 H 3.044 0.020 2
395 46 46 TYR HD1 H 7.085 0.004 3
396 46 46 TYR HD2 H 7.085 0.004 3
397 46 46 TYR HE1 H 6.869 0.005 3
398 46 46 TYR HE2 H 6.869 0.005 3
399 46 46 TYR C C 171.043 0.000 1
400 46 46 TYR CD1 C 132.247 0.070 3
401 46 46 TYR CD2 C 132.247 0.070 3
402 46 46 TYR CE1 C 117.136 0.066 3
403 46 46 TYR CE2 C 117.136 0.066 3
404 46 46 TYR N N 120.896 0.044 1
405 47 47 GLU HA H 4.622 0.005 1
406 47 47 GLU HG2 H 1.978 0.002 1
407 47 47 GLU HG3 H 1.978 0.002 1
408 47 47 GLU CG C 35.779 0.082 1
409 48 48 PRO HB2 H 1.781 0.004 2
410 48 48 PRO HB3 H 1.781 0.005 2
411 48 48 PRO HD2 H 3.028 0.006 2
412 48 48 PRO HD3 H 3.433 0.008 2
413 48 48 PRO HG2 H 1.829 0.007 2
414 48 48 PRO HG3 H 1.435 0.007 2
415 48 48 PRO CB C 32.396 0.017 1
416 48 48 PRO CD C 51.246 0.048 1
417 48 48 PRO CG C 26.915 0.101 1
418 49 49 THR HB H 3.969 0.005 1
419 49 49 THR HG2 H 0.743 0.002 1
420 49 49 THR CB C 69.724 0.030 1
421 49 49 THR CG2 C 20.131 0.008 1
422 50 50 LYS H H 8.534 0.006 1
423 50 50 LYS HA H 4.066 0.003 1
424 50 50 LYS HB2 H 1.416 0.007 2
425 50 50 LYS HB3 H 1.615 0.008 2
426 50 50 LYS HE2 H 2.772 0.004 2
427 50 50 LYS HE3 H 2.772 0.005 2
428 50 50 LYS HG2 H 0.788 0.008 2
429 50 50 LYS HG3 H 0.970 0.008 2
430 50 50 LYS CA C 58.836 0.095 1
431 50 50 LYS CB C 32.238 0.096 1
432 50 50 LYS CE C 41.967 0.062 1
433 50 50 LYS CG C 24.738 0.033 1
434 50 50 LYS N N 126.208 0.122 1
435 51 51 ALA H H 6.926 0.004 1
436 51 51 ALA HA H 4.245 0.002 1
437 51 51 ALA HB H 1.001 0.004 1
438 51 51 ALA CA C 52.637 0.044 1
439 51 51 ALA CB C 21.526 0.047 1
440 51 51 ALA N N 115.121 0.055 1
441 52 52 ASP H H 8.251 0.001 1
442 52 52 ASP N N 117.368 0.010 1
443 54 54 TYR HA H 4.686 0.000 1
444 54 54 TYR HB2 H 2.493 0.000 2
445 54 54 TYR HB3 H 3.218 0.000 2
446 55 55 ARG H H 8.812 0.007 1
447 55 55 ARG HA H 5.921 0.008 1
448 55 55 ARG HB2 H 1.448 0.005 2
449 55 55 ARG HB3 H 1.652 0.000 2
450 55 55 ARG HD2 H 3.285 0.007 1
451 55 55 ARG HD3 H 3.285 0.007 1
452 55 55 ARG HG2 H 1.376 0.012 1
453 55 55 ARG CA C 55.540 0.021 1
454 55 55 ARG CB C 32.540 0.002 1
455 55 55 ARG CG C 26.465 0.111 1
456 55 55 ARG N N 124.232 0.074 1
457 56 56 LYS H H 9.046 0.003 1
458 56 56 LYS HA H 4.546 0.003 1
459 56 56 LYS HB2 H 1.587 0.011 1
460 56 56 LYS HB3 H 1.587 0.011 1
461 56 56 LYS HD2 H 1.261 0.006 2
462 56 56 LYS HD3 H 0.890 0.012 2
463 56 56 LYS HE2 H 2.420 0.003 2
464 56 56 LYS HE3 H 2.626 0.004 2
465 56 56 LYS HG2 H 1.254 0.010 2
466 56 56 LYS HG3 H 1.191 0.013 2
467 56 56 LYS C C 171.413 0.000 1
468 56 56 LYS CA C 55.277 0.083 1
469 56 56 LYS CB C 38.317 0.078 1
470 56 56 LYS CD C 30.458 0.068 1
471 56 56 LYS CE C 42.035 0.039 1
472 56 56 LYS CG C 25.112 0.119 1
473 56 56 LYS N N 127.212 0.049 1
474 57 57 LYS H H 8.344 0.007 1
475 57 57 LYS HA H 4.974 0.007 1
476 57 57 LYS HB2 H 1.696 0.009 2
477 57 57 LYS HB3 H 1.593 0.006 2
478 57 57 LYS HD2 H 1.508 0.005 2
479 57 57 LYS HD3 H 1.508 0.005 2
480 57 57 LYS HE2 H 2.764 0.004 1
481 57 57 LYS HE3 H 2.764 0.004 1
482 57 57 LYS HG2 H 1.183 0.010 2
483 57 57 LYS HG3 H 1.335 0.011 2
484 57 57 LYS C C 173.681 0.000 1
485 57 57 LYS CA C 55.960 0.051 1
486 57 57 LYS CB C 33.120 0.023 1
487 57 57 LYS CD C 29.332 0.037 1
488 57 57 LYS CE C 41.817 0.032 1
489 57 57 LYS CG C 25.028 0.037 1
490 57 57 LYS N N 124.634 0.068 1
491 58 58 VAL H H 8.911 0.008 1
492 58 58 VAL HA H 4.612 0.005 1
493 58 58 VAL HB H 2.120 0.004 1
494 58 58 VAL HG1 H 0.734 0.003 2
495 58 58 VAL HG2 H 0.551 0.003 2
496 58 58 VAL C C 170.970 0.000 1
497 58 58 VAL CA C 59.093 0.008 1
498 58 58 VAL CB C 36.067 0.048 1
499 58 58 VAL CG1 C 22.371 0.043 2
500 58 58 VAL CG2 C 19.509 0.027 2
501 58 58 VAL N N 119.051 0.047 1
502 59 59 VAL H H 8.239 0.004 1
503 59 59 VAL HA H 4.398 0.006 1
504 59 59 VAL HB H 1.832 0.004 1
505 59 59 VAL HG1 H 0.590 0.003 2
506 59 59 VAL HG2 H 0.776 0.004 2
507 59 59 VAL C C 172.383 0.000 1
508 59 59 VAL CA C 61.922 0.046 1
509 59 59 VAL CB C 31.353 0.024 1
510 59 59 VAL CG1 C 21.226 0.039 2
511 59 59 VAL CG2 C 21.314 0.046 2
512 59 59 VAL N N 120.879 0.052 1
513 60 60 LEU H H 9.062 0.006 1
514 60 60 LEU HA H 4.534 0.006 1
515 60 60 LEU HB2 H 0.775 0.006 2
516 60 60 LEU HB3 H 1.885 0.007 2
517 60 60 LEU HD1 H 0.780 0.004 2
518 60 60 LEU HD2 H 0.782 0.004 2
519 60 60 LEU HG H 1.236 0.004 1
520 60 60 LEU C C 173.233 0.000 1
521 60 60 LEU CA C 52.934 0.002 1
522 60 60 LEU CB C 44.813 0.031 1
523 60 60 LEU CD1 C 26.716 0.037 2
524 60 60 LEU CD2 C 23.870 0.054 2
525 60 60 LEU CG C 27.463 0.000 1
526 60 60 LEU N N 129.467 0.056 1
527 61 61 ASP H H 9.562 0.006 1
528 61 61 ASP HA H 4.182 0.004 1
529 61 61 ASP HB2 H 2.784 0.007 2
530 61 61 ASP HB3 H 2.577 0.002 2
531 61 61 ASP C C 173.825 0.000 1
532 61 61 ASP CA C 55.577 0.028 1
533 61 61 ASP CB C 39.695 0.094 1
534 61 61 ASP N N 129.552 0.076 1
535 62 62 GLY H H 7.975 0.003 1
536 62 62 GLY HA2 H 4.107 0.007 2
537 62 62 GLY HA3 H 3.372 0.004 2
538 62 62 GLY C C 170.954 0.000 1
539 62 62 GLY CA C 45.210 0.039 1
540 62 62 GLY N N 102.199 0.070 1
541 63 63 GLU H H 7.523 0.005 1
542 63 63 GLU HA H 4.536 0.005 1
543 63 63 GLU HB2 H 1.934 0.004 2
544 63 63 GLU HB3 H 1.776 0.003 2
545 63 63 GLU HG2 H 2.053 0.022 2
546 63 63 GLU HG3 H 2.146 0.031 2
547 63 63 GLU C C 172.294 0.000 1
548 63 63 GLU CA C 54.186 0.022 1
549 63 63 GLU CB C 32.232 0.046 1
550 63 63 GLU CG C 35.897 0.099 1
551 63 63 GLU N N 120.419 0.052 1
552 64 64 GLU H H 8.723 0.004 1
553 64 64 GLU HA H 4.563 0.005 1
554 64 64 GLU HB2 H 1.936 0.009 2
555 64 64 GLU HB3 H 1.847 0.020 2
556 64 64 GLU HG2 H 1.933 0.007 2
557 64 64 GLU HG3 H 2.147 0.005 2
558 64 64 GLU C C 173.267 0.000 1
559 64 64 GLU CA C 57.180 0.026 1
560 64 64 GLU CB C 30.169 0.033 1
561 64 64 GLU CG C 37.329 0.083 1
562 64 64 GLU N N 125.093 0.043 1
563 65 65 VAL H H 9.025 0.006 1
564 65 65 VAL HA H 4.627 0.012 1
565 65 65 VAL HB H 1.824 0.007 1
566 65 65 VAL HG1 H 0.651 0.003 2
567 65 65 VAL HG2 H 0.850 0.003 2
568 65 65 VAL C C 171.335 0.000 1
569 65 65 VAL CA C 59.207 0.030 1
570 65 65 VAL CB C 35.862 0.091 1
571 65 65 VAL CG1 C 20.458 0.088 2
572 65 65 VAL CG2 C 21.990 0.074 2
573 65 65 VAL N N 121.734 0.072 1
574 66 66 GLN H H 8.172 0.007 1
575 66 66 GLN HA H 5.239 0.005 1
576 66 66 GLN HB2 H 1.818 0.005 2
577 66 66 GLN HB3 H 1.590 0.006 2
578 66 66 GLN HE21 H 6.577 0.003 1
579 66 66 GLN HE22 H 7.224 0.005 1
580 66 66 GLN HG2 H 1.833 0.010 2
581 66 66 GLN HG3 H 2.270 0.010 2
582 66 66 GLN C C 171.033 0.000 1
583 66 66 GLN CA C 54.346 0.042 1
584 66 66 GLN CB C 33.238 0.057 1
585 66 66 GLN CG C 35.895 0.065 1
586 66 66 GLN N N 117.357 0.038 1
587 66 66 GLN NE2 N 108.824 0.035 1
588 67 67 ILE H H 9.047 0.007 1
589 67 67 ILE HA H 5.153 0.015 1
590 67 67 ILE HB H 1.994 0.005 1
591 67 67 ILE HD1 H 0.742 0.005 1
592 67 67 ILE HG12 H 1.608 0.017 2
593 67 67 ILE HG13 H 0.946 0.009 2
594 67 67 ILE HG2 H 0.996 0.006 1
595 67 67 ILE CA C 57.370 0.104 1
596 67 67 ILE CB C 40.585 0.053 1
597 67 67 ILE CD1 C 13.862 0.043 1
598 67 67 ILE CG1 C 29.041 0.045 1
599 67 67 ILE CG2 C 15.550 0.045 1
600 67 67 ILE N N 120.983 0.076 1
601 68 68 ASP H H 8.661 0.006 1
602 68 68 ASP HA H 5.978 0.004 1
603 68 68 ASP HB2 H 2.867 0.003 2
604 68 68 ASP HB3 H 2.205 0.007 2
605 68 68 ASP CA C 52.186 0.015 1
606 68 68 ASP CB C 43.863 0.001 1
607 68 68 ASP N N 128.462 0.073 1
608 69 69 ILE H H 9.082 0.004 1
609 69 69 ILE HA H 5.184 0.011 1
610 69 69 ILE HB H 1.526 0.012 1
611 69 69 ILE HD1 H 0.528 0.003 1
612 69 69 ILE HG12 H 1.645 0.008 1
613 69 69 ILE HG13 H 1.645 0.008 1
614 69 69 ILE HG2 H 0.836 0.003 1
615 69 69 ILE CA C 59.715 0.126 1
616 69 69 ILE CB C 42.538 0.064 1
617 69 69 ILE CD1 C 15.669 0.134 1
618 69 69 ILE CG1 C 27.759 0.013 1
619 69 69 ILE CG2 C 18.694 0.093 1
620 69 69 ILE N N 120.916 0.036 1
621 70 70 LEU H H 9.286 0.005 1
622 70 70 LEU HA H 4.588 0.024 1
623 70 70 LEU HB2 H 1.376 0.009 1
624 70 70 LEU HB3 H 1.376 0.009 1
625 70 70 LEU HD1 H -0.299 0.004 2
626 70 70 LEU HD2 H -0.277 0.008 2
627 70 70 LEU HG H 0.367 0.003 1
628 70 70 LEU CB C 42.078 0.013 1
629 70 70 LEU CD1 C 22.003 0.040 2
630 70 70 LEU CD2 C 23.555 0.102 2
631 70 70 LEU CG C 26.979 0.039 1
632 70 70 LEU N N 132.305 0.030 1
633 71 71 ASP H H 9.001 0.002 1
634 71 71 ASP HA H 4.627 0.017 1
635 71 71 ASP HB2 H 2.390 0.005 2
636 71 71 ASP HB3 H 2.340 0.003 2
637 71 71 ASP CA C 53.532 0.000 1
638 71 71 ASP CB C 42.695 0.084 1
639 71 71 ASP N N 127.665 0.063 1
640 72 72 THR H H 6.538 0.003 1
641 72 72 THR HA H 4.405 0.015 1
642 72 72 THR HB H 4.303 0.008 1
643 72 72 THR HG1 H 5.822 0.003 1
644 72 72 THR HG2 H 1.052 0.004 1
645 72 72 THR CA C 60.064 0.076 1
646 72 72 THR CB C 72.696 0.050 1
647 72 72 THR CG2 C 22.375 0.109 1
648 72 72 THR N N 110.661 0.046 1
649 73 73 ALA H H 7.751 0.007 1
650 73 73 ALA HA H 4.230 0.005 1
651 73 73 ALA HB H 1.604 0.004 1
652 73 73 ALA CA C 52.508 0.001 1
653 73 73 ALA CB C 22.181 0.082 1
654 73 73 ALA N N 120.068 0.009 1
655 74 74 GLY H H 9.336 0.007 1
656 74 74 GLY HA2 H 3.603 0.001 2
657 74 74 GLY HA3 H 3.614 0.005 2
658 74 74 GLY CA C 46.722 0.069 1
659 74 74 GLY N N 113.164 0.056 1
660 75 75 LEU H H 7.980 0.005 1
661 75 75 LEU HA H 4.447 0.008 1
662 75 75 LEU HB2 H 1.731 0.011 2
663 75 75 LEU HB3 H 1.622 0.016 2
664 75 75 LEU HD1 H 0.912 0.008 2
665 75 75 LEU HD2 H 0.867 0.005 2
666 75 75 LEU HG H 1.703 0.005 1
667 75 75 LEU C C 172.253 0.000 1
668 75 75 LEU CA C 55.247 0.018 1
669 75 75 LEU CB C 42.654 0.068 1
670 75 75 LEU CD1 C 24.843 0.064 2
671 75 75 LEU CD2 C 23.724 0.051 2
672 75 75 LEU CG C 27.284 0.033 1
673 75 75 LEU N N 121.267 0.045 1
674 76 76 GLU H H 8.590 0.011 1
675 76 76 GLU HA H 4.090 0.004 1
676 76 76 GLU HB2 H 1.920 0.003 2
677 76 76 GLU HB3 H 1.920 0.003 2
678 76 76 GLU HG2 H 2.198 0.005 2
679 76 76 GLU HG3 H 2.198 0.005 2
680 76 76 GLU C C 174.556 0.000 1
681 76 76 GLU CA C 57.427 0.023 1
682 76 76 GLU CB C 29.728 0.069 1
683 76 76 GLU CG C 36.224 0.070 1
684 76 76 GLU N N 122.709 0.082 1
685 77 77 ASP H H 8.310 0.002 1
686 77 77 ASP HA H 4.236 0.003 1
687 77 77 ASP HB2 H 2.170 0.007 2
688 77 77 ASP HB3 H 1.889 0.014 2
689 77 77 ASP C C 174.122 0.000 1
690 77 77 ASP CA C 55.364 0.034 1
691 77 77 ASP CB C 40.681 0.120 1
692 77 77 ASP N N 119.861 0.042 1
693 78 78 TYR H H 7.864 0.014 1
694 78 78 TYR HA H 4.822 0.004 1
695 78 78 TYR HB2 H 3.142 0.009 2
696 78 78 TYR HB3 H 2.670 0.009 2
697 78 78 TYR HD1 H 7.036 0.004 3
698 78 78 TYR HD2 H 7.036 0.004 3
699 78 78 TYR HE1 H 6.734 0.003 3
700 78 78 TYR HE2 H 6.734 0.003 3
701 78 78 TYR C C 173.506 0.000 1
702 78 78 TYR CA C 55.741 0.000 1
703 78 78 TYR CB C 37.839 0.051 1
704 78 78 TYR CD1 C 132.803 0.063 3
705 78 78 TYR CD2 C 132.803 0.063 3
706 78 78 TYR CE1 C 118.240 0.044 3
707 78 78 TYR CE2 C 118.240 0.044 3
708 78 78 TYR N N 118.120 0.046 1
709 79 79 ALA H H 7.892 0.009 1
710 79 79 ALA HA H 3.733 0.007 1
711 79 79 ALA HB H 1.343 0.004 1
712 79 79 ALA C C 176.123 0.000 1
713 79 79 ALA CA C 55.439 0.032 1
714 79 79 ALA CB C 18.800 0.071 1
715 79 79 ALA N N 125.165 0.026 1
716 80 80 ALA H H 8.277 0.004 1
717 80 80 ALA HA H 3.972 0.003 1
718 80 80 ALA HB H 1.226 0.009 1
719 80 80 ALA CA C 54.872 0.027 1
720 80 80 ALA CB C 18.152 0.080 1
721 80 80 ALA N N 117.789 0.046 1
722 81 81 ILE H H 6.905 0.005 1
723 81 81 ILE HA H 3.588 0.012 1
724 81 81 ILE HB H 1.606 0.006 1
725 81 81 ILE HD1 H 0.420 0.005 1
726 81 81 ILE HG12 H 1.120 0.011 2
727 81 81 ILE HG13 H 0.627 0.011 2
728 81 81 ILE HG2 H 0.411 0.005 1
729 81 81 ILE C C 171.557 0.000 1
730 81 81 ILE CA C 62.858 0.059 1
731 81 81 ILE CB C 37.762 0.036 1
732 81 81 ILE CD1 C 12.535 0.056 1
733 81 81 ILE CG1 C 27.347 0.045 1
734 81 81 ILE CG2 C 17.308 0.072 1
735 81 81 ILE N N 114.070 0.072 1
736 82 82 ARG H H 7.352 0.008 1
737 82 82 ARG HA H 3.691 0.008 1
738 82 82 ARG HB2 H 1.670 0.006 2
739 82 82 ARG HB3 H 1.575 0.030 2
740 82 82 ARG HD2 H 3.051 0.008 2
741 82 82 ARG HD3 H 3.101 0.003 2
742 82 82 ARG HG2 H 0.782 0.002 2
743 82 82 ARG HG3 H 1.420 0.015 2
744 82 82 ARG C C 175.229 0.000 1
745 82 82 ARG CA C 60.275 0.062 1
746 82 82 ARG CB C 30.174 0.022 1
747 82 82 ARG CD C 43.605 0.020 1
748 82 82 ARG CG C 26.581 0.078 1
749 82 82 ARG N N 119.651 0.078 1
750 83 83 ASP H H 8.128 0.009 1
751 83 83 ASP HA H 3.964 0.006 1
752 83 83 ASP HB2 H 2.465 0.003 2
753 83 83 ASP HB3 H 2.619 0.005 2
754 83 83 ASP C C 176.067 0.000 1
755 83 83 ASP CA C 57.678 0.010 1
756 83 83 ASP CB C 39.791 0.053 1
757 83 83 ASP N N 117.501 0.041 1
758 84 84 ASN H H 7.466 0.005 1
759 84 84 ASN HA H 4.381 0.008 1
760 84 84 ASN HB2 H 3.028 0.002 1
761 84 84 ASN HB3 H 3.028 0.002 1
762 84 84 ASN HD21 H 10.238 0.003 1
763 84 84 ASN HD22 H 6.336 0.004 1
764 84 84 ASN C C 176.713 0.000 1
765 84 84 ASN CA C 55.073 0.075 1
766 84 84 ASN CB C 37.819 0.037 1
767 84 84 ASN N N 116.565 0.056 1
768 84 84 ASN ND2 N 114.030 0.085 1
769 85 85 TYR H H 7.717 0.010 1
770 85 85 TYR HA H 4.502 0.004 1
771 85 85 TYR HB2 H 2.805 0.005 2
772 85 85 TYR HB3 H 3.016 0.015 2
773 85 85 TYR HD1 H 6.751 0.006 3
774 85 85 TYR HD2 H 6.751 0.006 3
775 85 85 TYR HE1 H 6.371 0.011 3
776 85 85 TYR HE2 H 6.371 0.011 3
777 85 85 TYR HH H 10.846 0.021 1
778 85 85 TYR C C 176.194 0.000 1
779 85 85 TYR CA C 61.166 0.032 1
780 85 85 TYR CB C 37.844 0.094 1
781 85 85 TYR CD1 C 132.920 0.142 3
782 85 85 TYR CD2 C 132.920 0.142 3
783 85 85 TYR CE1 C 119.303 0.167 3
784 85 85 TYR CE2 C 119.303 0.167 3
785 85 85 TYR N N 117.226 0.049 1
786 86 86 PHE H H 9.019 0.012 1
787 86 86 PHE HA H 4.688 0.007 1
788 86 86 PHE HB2 H 3.085 0.007 2
789 86 86 PHE HB3 H 3.648 0.002 2
790 86 86 PHE HD1 H 7.098 0.008 3
791 86 86 PHE HD2 H 7.098 0.008 3
792 86 86 PHE HE1 H 7.307 0.008 3
793 86 86 PHE HE2 H 7.307 0.008 3
794 86 86 PHE CA C 54.852 0.000 1
795 86 86 PHE CB C 37.790 0.114 1
796 86 86 PHE CD1 C 129.195 0.106 3
797 86 86 PHE CD2 C 129.195 0.106 3
798 86 86 PHE CE1 C 131.430 0.067 3
799 86 86 PHE CE2 C 131.430 0.067 3
800 86 86 PHE N N 118.470 0.068 1
801 87 87 ARG H H 8.304 0.010 1
802 87 87 ARG HA H 3.808 0.005 1
803 87 87 ARG HB2 H 1.938 0.009 2
804 87 87 ARG HB3 H 1.938 0.009 2
805 87 87 ARG HD2 H 3.260 0.006 1
806 87 87 ARG HD3 H 3.260 0.006 1
807 87 87 ARG HG2 H 1.705 0.004 2
808 87 87 ARG HG3 H 1.874 0.005 2
809 87 87 ARG C C 175.048 0.000 1
810 87 87 ARG CA C 60.218 0.041 1
811 87 87 ARG CB C 30.326 0.078 1
812 87 87 ARG CD C 43.468 0.019 1
813 87 87 ARG CG C 28.178 0.097 1
814 87 87 ARG N N 116.282 0.061 1
815 88 88 SER H H 7.594 0.006 1
816 88 88 SER HA H 4.516 0.011 1
817 88 88 SER HB2 H 3.813 0.003 2
818 88 88 SER HB3 H 3.813 0.003 2
819 88 88 SER C C 173.158 0.000 1
820 88 88 SER CA C 58.583 0.017 1
821 88 88 SER CB C 63.892 0.057 1
822 88 88 SER N N 109.588 0.054 1
823 89 89 GLY H H 7.841 0.007 1
824 89 89 GLY HA2 H 3.729 0.007 2
825 89 89 GLY HA3 H 3.274 0.005 2
826 89 89 GLY CA C 46.087 0.054 1
827 89 89 GLY N N 107.332 0.029 1
828 90 90 GLU H H 7.918 0.006 1
829 90 90 GLU HA H 4.518 0.008 1
830 90 90 GLU HB2 H 1.939 0.002 1
831 90 90 GLU HB3 H 1.939 0.002 1
832 90 90 GLU HG2 H 2.263 0.005 1
833 90 90 GLU HG3 H 2.263 0.005 1
834 90 90 GLU C C 174.071 0.000 1
835 90 90 GLU CA C 55.935 0.059 1
836 90 90 GLU CB C 30.539 0.060 1
837 90 90 GLU CG C 36.247 0.005 1
838 90 90 GLU N N 117.903 0.055 1
839 91 91 GLY H H 7.548 0.010 1
840 91 91 GLY HA2 H 3.182 0.010 2
841 91 91 GLY HA3 H 4.985 0.002 2
842 91 91 GLY C C 181.585 0.000 1
843 91 91 GLY CA C 45.469 0.112 1
844 91 91 GLY N N 102.731 0.051 1
845 92 92 PHE H H 8.143 0.010 1
846 92 92 PHE HA H 5.167 0.010 1
847 92 92 PHE HB2 H 2.432 0.006 2
848 92 92 PHE HB3 H 2.677 0.005 2
849 92 92 PHE HD1 H 6.858 0.009 3
850 92 92 PHE HD2 H 6.858 0.009 3
851 92 92 PHE HE1 H 6.720 0.007 3
852 92 92 PHE HE2 H 6.720 0.007 3
853 92 92 PHE HZ H 7.373 0.011 1
854 92 92 PHE C C 171.539 0.000 1
855 92 92 PHE CA C 57.111 0.058 1
856 92 92 PHE CB C 42.639 0.147 1
857 92 92 PHE CD1 C 132.231 0.082 3
858 92 92 PHE CD2 C 132.231 0.082 3
859 92 92 PHE CE1 C 130.657 0.159 3
860 92 92 PHE CE2 C 130.657 0.159 3
861 92 92 PHE CZ C 129.129 0.025 1
862 92 92 PHE N N 119.208 0.071 1
863 93 93 LEU H H 8.524 0.019 1
864 93 93 LEU HA H 4.781 0.006 1
865 93 93 LEU HB2 H 1.907 0.009 2
866 93 93 LEU HB3 H 0.679 0.010 2
867 93 93 LEU HD1 H 0.452 0.003 2
868 93 93 LEU HD2 H -0.259 0.005 2
869 93 93 LEU HG H 1.104 0.006 1
870 93 93 LEU C C 171.230 0.000 1
871 93 93 LEU CA C 53.241 0.092 1
872 93 93 LEU CB C 40.960 0.120 1
873 93 93 LEU CD1 C 26.132 0.051 2
874 93 93 LEU CD2 C 25.502 0.020 2
875 93 93 LEU CG C 25.791 0.074 1
876 93 93 LEU N N 123.152 0.093 1
877 94 94 LEU H H 8.483 0.005 1
878 94 94 LEU HA H 4.817 0.011 1
879 94 94 LEU HB2 H 1.943 0.004 2
880 94 94 LEU HB3 H 1.149 0.005 2
881 94 94 LEU HD1 H 0.765 0.006 2
882 94 94 LEU HD2 H 0.740 0.005 2
883 94 94 LEU HG H 1.599 0.015 1
884 94 94 LEU C C 171.377 0.000 1
885 94 94 LEU CA C 53.233 0.007 1
886 94 94 LEU CB C 42.999 0.044 1
887 94 94 LEU CD1 C 26.656 0.034 2
888 94 94 LEU CD2 C 25.024 0.088 2
889 94 94 LEU CG C 27.500 0.000 1
890 94 94 LEU N N 127.056 0.017 1
891 95 95 VAL H H 9.198 0.005 1
892 95 95 VAL HA H 5.014 0.009 1
893 95 95 VAL HB H 1.617 0.011 1
894 95 95 VAL HG1 H 0.667 0.007 2
895 95 95 VAL HG2 H 0.531 0.007 2
896 95 95 VAL C C 172.938 0.000 1
897 95 95 VAL CA C 60.714 0.054 1
898 95 95 VAL CB C 33.264 0.093 1
899 95 95 VAL CG1 C 21.547 0.097 2
900 95 95 VAL CG2 C 22.538 0.016 2
901 95 95 VAL N N 125.804 0.017 1
902 96 96 PHE H H 9.234 0.006 1
903 96 96 PHE HA H 4.852 0.004 1
904 96 96 PHE HB2 H 3.475 0.014 2
905 96 96 PHE HB3 H 2.735 0.012 2
906 96 96 PHE HD1 H 7.200 0.007 3
907 96 96 PHE HD2 H 7.200 0.007 3
908 96 96 PHE HE1 H 7.420 0.009 3
909 96 96 PHE HE2 H 7.420 0.009 3
910 96 96 PHE HZ H 6.860 0.004 1
911 96 96 PHE CA C 55.804 0.000 1
912 96 96 PHE CB C 40.640 0.050 1
913 96 96 PHE CD1 C 132.821 0.142 3
914 96 96 PHE CD2 C 132.821 0.142 3
915 96 96 PHE CE1 C 132.116 0.044 3
916 96 96 PHE CE2 C 132.116 0.044 3
917 96 96 PHE N N 122.578 0.053 1
918 97 97 SER H H 8.777 0.009 1
919 97 97 SER HA H 4.856 0.004 1
920 97 97 SER HB2 H 3.754 0.010 2
921 97 97 SER HB3 H 3.497 0.010 2
922 97 97 SER C C 175.150 0.000 1
923 97 97 SER CA C 54.359 0.000 1
924 97 97 SER CB C 64.723 0.092 1
925 97 97 SER N N 112.017 0.054 1
926 98 98 ILE H H 8.830 0.005 1
927 98 98 ILE HA H 4.082 0.007 1
928 98 98 ILE HB H 2.001 0.008 1
929 98 98 ILE HD1 H 0.466 0.004 1
930 98 98 ILE HG12 H 1.047 0.009 2
931 98 98 ILE HG13 H 0.832 0.017 2
932 98 98 ILE HG2 H 0.764 0.006 1
933 98 98 ILE C C 174.520 0.000 1
934 98 98 ILE CA C 64.406 0.060 1
935 98 98 ILE CB C 38.549 0.061 1
936 98 98 ILE CD1 C 15.476 0.043 1
937 98 98 ILE CG1 C 26.618 0.037 1
938 98 98 ILE CG2 C 18.643 0.060 1
939 98 98 ILE N N 121.564 0.075 1
940 99 99 THR H H 8.164 0.005 1
941 99 99 THR HA H 4.475 0.009 1
942 99 99 THR HB H 4.483 0.008 1
943 99 99 THR HG1 H 4.708 0.016 1
944 99 99 THR HG2 H 0.972 0.004 1
945 99 99 THR C C 171.337 0.000 1
946 99 99 THR CA C 61.807 0.049 1
947 99 99 THR CB C 68.784 0.098 1
948 99 99 THR CG2 C 24.399 0.078 1
949 99 99 THR N N 110.809 0.065 1
950 100 100 GLU H H 7.663 0.003 1
951 100 100 GLU HA H 4.916 0.003 1
952 100 100 GLU HB2 H 1.774 0.004 2
953 100 100 GLU HB3 H 2.135 0.005 2
954 100 100 GLU HG2 H 2.159 0.005 2
955 100 100 GLU HG3 H 2.326 0.004 2
956 100 100 GLU C C 174.702 0.000 1
957 100 100 GLU CA C 54.189 0.033 1
958 100 100 GLU CB C 32.168 0.064 1
959 100 100 GLU CG C 36.200 0.051 1
960 100 100 GLU N N 120.589 0.040 1
961 101 101 HIS H H 10.030 0.009 1
962 101 101 HIS HA H 3.957 0.005 1
963 101 101 HIS HB2 H 3.259 0.005 2
964 101 101 HIS HB3 H 3.282 0.008 2
965 101 101 HIS HD2 H 7.359 0.007 1
966 101 101 HIS HE1 H 8.273 0.004 1
967 101 101 HIS C C 174.976 0.000 1
968 101 101 HIS CA C 61.858 0.053 1
969 101 101 HIS CB C 28.385 0.050 1
970 101 101 HIS CD2 C 120.178 0.036 1
971 101 101 HIS CE1 C 136.590 0.006 1
972 101 101 HIS N N 130.794 0.093 1
973 102 102 GLU H H 9.854 0.005 1
974 102 102 GLU HA H 4.284 0.003 1
975 102 102 GLU HB2 H 2.054 0.008 2
976 102 102 GLU HB3 H 2.054 0.008 2
977 102 102 GLU HG2 H 2.422 0.005 2
978 102 102 GLU HG3 H 2.422 0.005 2
979 102 102 GLU C C 176.421 0.000 1
980 102 102 GLU CA C 59.643 0.061 1
981 102 102 GLU CB C 29.063 0.077 1
982 102 102 GLU CG C 36.817 0.047 1
983 102 102 GLU N N 118.497 0.043 1
984 103 103 SER H H 7.567 0.006 1
985 103 103 SER HA H 4.496 0.008 1
986 103 103 SER HB2 H 4.246 0.006 1
987 103 103 SER HB3 H 4.246 0.006 1
988 103 103 SER HG H 6.111 0.027 1
989 103 103 SER C C 173.852 0.000 1
990 103 103 SER CA C 61.187 0.020 1
991 103 103 SER CB C 63.651 0.022 1
992 103 103 SER N N 115.501 0.047 1
993 104 104 PHE H H 7.236 0.007 1
994 104 104 PHE HA H 3.826 0.006 1
995 104 104 PHE HB2 H 2.726 0.016 2
996 104 104 PHE HB3 H 2.421 0.011 2
997 104 104 PHE HD1 H 5.592 0.004 3
998 104 104 PHE HD2 H 5.592 0.004 3
999 104 104 PHE HE1 H 6.699 0.005 3
1000 104 104 PHE HE2 H 6.699 0.005 3
1001 104 104 PHE HZ H 6.572 0.006 1
1002 104 104 PHE C C 176.388 0.000 1
1003 104 104 PHE CA C 59.795 0.043 1
1004 104 104 PHE CB C 39.328 0.075 1
1005 104 104 PHE CD1 C 131.323 0.037 3
1006 104 104 PHE CD2 C 131.323 0.037 3
1007 104 104 PHE CE1 C 130.152 0.059 3
1008 104 104 PHE CE2 C 130.152 0.059 3
1009 104 104 PHE CZ C 128.409 0.042 1
1010 104 104 PHE N N 125.003 0.073 1
1011 105 105 THR H H 8.326 0.005 1
1012 105 105 THR HA H 3.480 0.003 1
1013 105 105 THR HB H 4.151 0.004 1
1014 105 105 THR HG2 H 1.140 0.004 1
1015 105 105 THR C C 175.354 0.000 1
1016 105 105 THR CA C 66.056 0.034 1
1017 105 105 THR CB C 67.750 0.060 1
1018 105 105 THR CG2 C 22.618 0.032 1
1019 105 105 THR N N 117.946 0.039 1
1020 106 106 ALA H H 7.664 0.008 1
1021 106 106 ALA HA H 4.135 0.009 1
1022 106 106 ALA HB H 1.595 0.004 1
1023 106 106 ALA C C 177.214 0.000 1
1024 106 106 ALA CA C 54.723 0.076 1
1025 106 106 ALA CB C 18.554 0.049 1
1026 106 106 ALA N N 121.808 0.040 1
1027 107 107 THR H H 7.447 0.004 1
1028 107 107 THR HA H 4.102 0.017 1
1029 107 107 THR HB H 4.230 0.004 1
1030 107 107 THR HG1 H 4.437 0.007 1
1031 107 107 THR HG2 H 1.597 0.003 1
1032 107 107 THR C C 174.084 0.000 1
1033 107 107 THR CA C 66.678 0.030 1
1034 107 107 THR CB C 68.994 0.034 1
1035 107 107 THR CG2 C 23.016 0.042 1
1036 107 107 THR N N 108.241 0.064 1
1037 108 108 ALA H H 7.040 0.003 1
1038 108 108 ALA HA H 4.100 0.004 1
1039 108 108 ALA HB H 1.588 0.004 1
1040 108 108 ALA C C 177.651 0.000 1
1041 108 108 ALA CA C 55.468 0.038 1
1042 108 108 ALA CB C 18.544 0.053 1
1043 108 108 ALA N N 122.366 0.046 1
1044 109 109 GLU H H 7.289 0.004 1
1045 109 109 GLU HA H 4.013 0.007 1
1046 109 109 GLU HB2 H 1.916 0.007 2
1047 109 109 GLU HB3 H 1.800 0.008 2
1048 109 109 GLU HG2 H 2.061 0.002 2
1049 109 109 GLU HG3 H 2.061 0.002 2
1050 109 109 GLU C C 177.045 0.000 1
1051 109 109 GLU CA C 58.561 0.035 1
1052 109 109 GLU CB C 28.887 0.059 1
1053 109 109 GLU CG C 35.831 0.045 1
1054 109 109 GLU N N 118.635 0.033 1
1055 110 110 PHE H H 7.567 0.004 1
1056 110 110 PHE HA H 4.201 0.007 1
1057 110 110 PHE HB2 H 2.767 0.003 2
1058 110 110 PHE HB3 H 2.767 0.003 2
1059 110 110 PHE HD1 H 7.150 0.010 3
1060 110 110 PHE HD2 H 7.150 0.010 3
1061 110 110 PHE HE1 H 7.343 0.001 3
1062 110 110 PHE HE2 H 7.343 0.001 3
1063 110 110 PHE C C 175.540 0.000 1
1064 110 110 PHE CA C 61.950 0.027 1
1065 110 110 PHE CB C 39.666 0.056 1
1066 110 110 PHE CD1 C 131.298 0.048 3
1067 110 110 PHE CD2 C 131.298 0.048 3
1068 110 110 PHE CE1 C 131.456 0.034 3
1069 110 110 PHE CE2 C 131.456 0.034 3
1070 110 110 PHE N N 117.428 0.029 1
1071 111 111 ARG H H 8.247 0.006 1
1072 111 111 ARG HA H 3.365 0.007 1
1073 111 111 ARG HB2 H 0.837 0.016 2
1074 111 111 ARG HB3 H 0.839 0.010 2
1075 111 111 ARG HD2 H 0.875 0.005 2
1076 111 111 ARG HD3 H 1.115 0.004 2
1077 111 111 ARG HE H 6.777 0.004 1
1078 111 111 ARG HG2 H 0.542 0.008 2
1079 111 111 ARG HG3 H 1.190 0.011 2
1080 111 111 ARG HH11 H 6.381 0.007 1
1081 111 111 ARG HH12 H 6.388 0.000 1
1082 111 111 ARG HH21 H 6.381 0.007 1
1083 111 111 ARG HH22 H 6.388 0.000 1
1084 111 111 ARG C C 174.443 0.000 1
1085 111 111 ARG CA C 59.999 0.069 1
1086 111 111 ARG CB C 28.293 0.036 1
1087 111 111 ARG CD C 41.427 0.059 1
1088 111 111 ARG CG C 27.818 0.014 1
1089 111 111 ARG N N 117.377 0.017 1
1090 111 111 ARG NE N 82.749 0.026 1
1091 112 112 GLU H H 7.460 0.008 1
1092 112 112 GLU HA H 3.662 0.005 1
1093 112 112 GLU HB2 H 2.016 0.018 2
1094 112 112 GLU HB3 H 1.965 0.008 2
1095 112 112 GLU HG2 H 2.196 0.017 2
1096 112 112 GLU HG3 H 2.249 0.010 2
1097 112 112 GLU C C 176.680 0.000 1
1098 112 112 GLU CA C 59.368 0.035 1
1099 112 112 GLU CB C 29.003 0.018 1
1100 112 112 GLU CG C 35.970 0.035 1
1101 112 112 GLU N N 116.614 0.041 1
1102 113 113 GLN H H 7.631 0.011 1
1103 113 113 GLN HA H 3.939 0.007 1
1104 113 113 GLN HB2 H 2.332 0.009 2
1105 113 113 GLN HB3 H 2.181 0.005 2
1106 113 113 GLN HE21 H 6.363 0.005 1
1107 113 113 GLN HE22 H 7.463 0.006 1
1108 113 113 GLN HG2 H 2.429 0.013 2
1109 113 113 GLN HG3 H 2.499 0.007 2
1110 113 113 GLN C C 176.171 0.000 1
1111 113 113 GLN CA C 58.991 0.089 1
1112 113 113 GLN CB C 27.863 0.019 1
1113 113 113 GLN CG C 33.047 0.045 1
1114 113 113 GLN N N 118.243 0.091 1
1115 113 113 GLN NE2 N 110.349 0.080 1
1116 114 114 ILE H H 7.780 0.007 1
1117 114 114 ILE HA H 2.987 0.007 1
1118 114 114 ILE HB H 1.279 0.010 1
1119 114 114 ILE HD1 H -0.041 0.004 1
1120 114 114 ILE HG12 H 1.188 0.011 2
1121 114 114 ILE HG13 H -0.673 0.010 2
1122 114 114 ILE HG2 H -0.441 0.005 1
1123 114 114 ILE C C 174.643 0.000 1
1124 114 114 ILE CA C 65.761 0.094 1
1125 114 114 ILE CB C 37.972 0.054 1
1126 114 114 ILE CD1 C 14.796 0.038 1
1127 114 114 ILE CG1 C 28.054 0.101 1
1128 114 114 ILE CG2 C 15.984 0.037 1
1129 114 114 ILE N N 120.104 0.037 1
1130 115 115 LEU H H 7.876 0.011 1
1131 115 115 LEU HA H 3.532 0.005 1
1132 115 115 LEU HB2 H 1.511 0.008 2
1133 115 115 LEU HB3 H 1.283 0.006 2
1134 115 115 LEU HD1 H 0.533 0.006 2
1135 115 115 LEU HD2 H 0.481 0.008 2
1136 115 115 LEU HG H 1.511 0.005 1
1137 115 115 LEU C C 175.400 0.000 1
1138 115 115 LEU CA C 57.887 0.018 1
1139 115 115 LEU CB C 40.733 0.038 1
1140 115 115 LEU CD1 C 22.499 0.017 2
1141 115 115 LEU CD2 C 24.191 0.031 2
1142 115 115 LEU CG C 27.425 0.059 1
1143 115 115 LEU N N 116.747 0.089 1
1144 116 116 ARG H H 7.664 0.005 1
1145 116 116 ARG HA H 3.993 0.004 1
1146 116 116 ARG HB2 H 1.837 0.002 2
1147 116 116 ARG HB3 H 1.837 0.002 2
1148 116 116 ARG HD2 H 3.154 0.005 2
1149 116 116 ARG HD3 H 3.154 0.005 2
1150 116 116 ARG HG2 H 1.620 0.007 2
1151 116 116 ARG HG3 H 1.512 0.008 2
1152 116 116 ARG C C 176.719 0.000 1
1153 116 116 ARG CA C 58.995 0.128 1
1154 116 116 ARG CB C 30.315 0.061 1
1155 116 116 ARG CD C 43.480 0.105 1
1156 116 116 ARG CG C 27.316 0.046 1
1157 116 116 ARG N N 117.116 0.041 1
1158 117 117 VAL H H 7.717 0.006 1
1159 117 117 VAL HA H 3.975 0.002 1
1160 117 117 VAL HB H 2.192 0.005 1
1161 117 117 VAL HG1 H 1.170 0.005 2
1162 117 117 VAL HG2 H 1.077 0.011 2
1163 117 117 VAL C C 175.351 0.000 1
1164 117 117 VAL CA C 64.532 0.077 1
1165 117 117 VAL CB C 31.995 0.054 1
1166 117 117 VAL CG1 C 22.184 0.065 2
1167 117 117 VAL CG2 C 21.816 0.079 2
1168 117 117 VAL N N 116.195 0.071 1
1169 118 118 LYS H H 7.854 0.007 1
1170 118 118 LYS HA H 4.569 0.010 1
1171 118 118 LYS HB2 H 1.639 0.009 2
1172 118 118 LYS HB3 H 1.936 0.009 2
1173 118 118 LYS HD2 H 1.776 0.014 2
1174 118 118 LYS HD3 H 1.802 0.010 2
1175 118 118 LYS HE2 H 3.088 0.008 2
1176 118 118 LYS HE3 H 3.222 0.005 2
1177 118 118 LYS HG2 H 1.453 0.004 2
1178 118 118 LYS HG3 H 1.282 0.016 2
1179 118 118 LYS C C 174.194 0.000 1
1180 118 118 LYS CA C 54.210 0.002 1
1181 118 118 LYS CB C 30.360 0.082 1
1182 118 118 LYS CD C 28.473 0.059 1
1183 118 118 LYS CE C 42.110 0.145 1
1184 118 118 LYS CG C 24.038 0.076 1
1185 118 118 LYS N N 120.034 0.028 1
1186 119 119 ALA H H 7.011 0.004 1
1187 119 119 ALA HA H 4.037 0.002 1
1188 119 119 ALA HB H 1.420 0.002 1
1189 119 119 ALA C C 175.986 0.000 1
1190 119 119 ALA CA C 54.613 0.079 1
1191 119 119 ALA CB C 18.957 0.013 1
1192 119 119 ALA N N 120.860 0.029 1
1193 120 120 GLU H H 8.737 0.004 1
1194 120 120 GLU HA H 4.196 0.005 1
1195 120 120 GLU HB2 H 2.101 0.006 2
1196 120 120 GLU HB3 H 1.920 0.009 2
1197 120 120 GLU HG2 H 2.176 0.010 2
1198 120 120 GLU HG3 H 2.181 0.006 2
1199 120 120 GLU C C 174.206 0.000 1
1200 120 120 GLU CA C 56.891 0.031 1
1201 120 120 GLU CB C 29.472 0.069 1
1202 120 120 GLU CG C 36.404 0.079 1
1203 120 120 GLU N N 115.564 0.035 1
1204 121 121 GLU H H 7.920 0.004 1
1205 121 121 GLU HA H 4.310 0.005 1
1206 121 121 GLU HB2 H 1.930 0.007 2
1207 121 121 GLU HB3 H 1.930 0.007 2
1208 121 121 GLU HG2 H 2.180 0.004 2
1209 121 121 GLU HG3 H 2.178 0.005 2
1210 121 121 GLU C C 173.191 0.000 1
1211 121 121 GLU CA C 55.703 0.049 1
1212 121 121 GLU CB C 30.577 0.028 1
1213 121 121 GLU CG C 36.308 0.050 1
1214 121 121 GLU N N 119.444 0.100 1
1215 122 122 ASP H H 8.306 0.003 1
1216 122 122 ASP HA H 4.330 0.013 1
1217 122 122 ASP HB2 H 2.612 0.003 2
1218 122 122 ASP HB3 H 2.612 0.003 2
1219 122 122 ASP C C 173.520 0.000 1
1220 122 122 ASP CA C 55.177 0.160 1
1221 122 122 ASP CB C 41.646 0.044 1
1222 122 122 ASP N N 120.581 0.071 1
1223 123 123 LYS H H 8.021 0.006 1
1224 123 123 LYS HA H 4.288 0.004 1
1225 123 123 LYS HB2 H 1.678 0.006 2
1226 123 123 LYS HB3 H 1.678 0.006 2
1227 123 123 LYS HD2 H 1.616 0.005 2
1228 123 123 LYS HD3 H 1.616 0.005 2
1229 123 123 LYS HE2 H 2.936 0.001 2
1230 123 123 LYS HE3 H 2.936 0.001 2
1231 123 123 LYS HG2 H 1.267 0.003 2
1232 123 123 LYS HG3 H 1.267 0.003 2
1233 123 123 LYS C C 172.946 0.000 1
1234 123 123 LYS CA C 55.556 0.037 1
1235 123 123 LYS CB C 33.211 0.020 1
1236 123 123 LYS CD C 28.982 0.009 1
1237 123 123 LYS CE C 42.186 0.007 1
1238 123 123 LYS CG C 24.728 0.024 1
1239 123 123 LYS N N 119.200 0.029 1
1240 124 124 ILE H H 8.307 0.007 1
1241 124 124 ILE HA H 4.384 0.010 1
1242 124 124 ILE HB H 1.597 0.006 1
1243 124 124 ILE HD1 H 0.682 0.005 1
1244 124 124 ILE HG12 H 1.252 0.004 2
1245 124 124 ILE HG13 H 0.983 0.006 2
1246 124 124 ILE HG2 H 0.710 0.004 1
1247 124 124 ILE CA C 57.608 0.058 1
1248 124 124 ILE CB C 39.549 0.066 1
1249 124 124 ILE CD1 C 14.274 0.032 1
1250 124 124 ILE CG1 C 27.880 0.036 1
1251 124 124 ILE CG2 C 17.849 0.069 1
1252 124 124 ILE N N 125.195 0.009 1
1253 125 125 PRO HA H 4.395 0.008 1
1254 125 125 PRO HB2 H 1.808 0.001 2
1255 125 125 PRO HB3 H 2.218 0.000 2
1256 125 125 PRO HD2 H 3.780 0.005 2
1257 125 125 PRO HD3 H 3.608 0.004 2
1258 125 125 PRO HG2 H 1.928 0.004 2
1259 125 125 PRO HG3 H 1.929 0.008 2
1260 125 125 PRO C C 172.494 0.000 1
1261 125 125 PRO CA C 63.723 0.050 1
1262 125 125 PRO CB C 32.323 0.000 1
1263 125 125 PRO CD C 50.961 0.048 1
1264 125 125 PRO CG C 27.936 0.000 1
1265 126 126 LEU H H 7.929 0.005 1
1266 126 126 LEU HA H 5.475 0.008 1
1267 126 126 LEU HB2 H 1.634 0.005 2
1268 126 126 LEU HB3 H 1.539 0.012 2
1269 126 126 LEU HD1 H 0.593 0.009 2
1270 126 126 LEU HD2 H 0.671 0.008 2
1271 126 126 LEU HG H 1.624 0.004 1
1272 126 126 LEU C C 171.990 0.000 1
1273 126 126 LEU CA C 55.024 0.046 1
1274 126 126 LEU CB C 45.668 0.045 1
1275 126 126 LEU CD1 C 26.303 0.052 2
1276 126 126 LEU CD2 C 25.871 0.073 2
1277 126 126 LEU CG C 26.878 0.118 1
1278 126 126 LEU N N 127.899 0.028 1
1279 127 127 LEU H H 8.238 0.007 1
1280 127 127 LEU HA H 4.650 0.005 1
1281 127 127 LEU HB2 H 1.313 0.005 2
1282 127 127 LEU HB3 H 1.460 0.002 2
1283 127 127 LEU HD1 H 0.670 0.007 2
1284 127 127 LEU HD2 H 0.748 0.009 2
1285 127 127 LEU HG H 1.617 0.003 1
1286 127 127 LEU C C 172.275 0.000 1
1287 127 127 LEU CA C 55.860 0.037 1
1288 127 127 LEU CB C 46.476 0.021 1
1289 127 127 LEU CD1 C 26.009 0.086 2
1290 127 127 LEU CD2 C 26.100 0.050 2
1291 127 127 LEU CG C 28.993 0.012 1
1292 127 127 LEU N N 125.544 0.059 1
1293 128 128 VAL H H 8.297 0.007 1
1294 128 128 VAL HA H 4.916 0.006 1
1295 128 128 VAL HB H 2.314 0.004 1
1296 128 128 VAL HG1 H 1.409 0.006 2
1297 128 128 VAL HG2 H 1.224 0.004 2
1298 128 128 VAL C C 170.785 0.000 1
1299 128 128 VAL CA C 62.200 0.068 1
1300 128 128 VAL CB C 32.610 0.042 1
1301 128 128 VAL CG1 C 22.121 0.043 2
1302 128 128 VAL CG2 C 22.973 0.048 2
1303 128 128 VAL N N 124.427 0.028 1
1304 129 129 VAL H H 9.138 0.009 1
1305 129 129 VAL HA H 4.845 0.011 1
1306 129 129 VAL HB H 1.728 0.006 1
1307 129 129 VAL HG1 H 0.547 0.008 2
1308 129 129 VAL HG2 H 0.656 0.005 2
1309 129 129 VAL C C 171.620 0.000 1
1310 129 129 VAL CA C 60.050 0.020 1
1311 129 129 VAL CB C 34.895 0.030 1
1312 129 129 VAL CG1 C 22.562 0.022 2
1313 129 129 VAL CG2 C 23.509 0.091 2
1314 129 129 VAL N N 128.652 0.053 1
1315 130 130 GLY H H 8.257 0.004 1
1316 130 130 GLY HA2 H 2.697 0.009 2
1317 130 130 GLY HA3 H 2.943 0.012 2
1318 130 130 GLY CA C 44.952 0.082 1
1319 130 130 GLY N N 114.819 0.087 1
1320 131 131 ASN H H 8.690 0.009 1
1321 131 131 ASN HA H 5.477 0.008 1
1322 131 131 ASN HB2 H 2.113 0.008 2
1323 131 131 ASN HB3 H 2.595 0.006 2
1324 131 131 ASN HD21 H 7.543 0.004 1
1325 131 131 ASN HD22 H 8.785 0.006 1
1326 131 131 ASN C C 171.921 0.000 1
1327 131 131 ASN CA C 51.440 0.070 1
1328 131 131 ASN CB C 40.947 0.085 1
1329 131 131 ASN N N 121.537 0.046 1
1330 131 131 ASN ND2 N 120.999 0.034 1
1331 132 132 LYS H H 7.197 0.007 1
1332 132 132 LYS HA H 4.147 0.013 1
1333 132 132 LYS HB2 H 2.534 0.008 2
1334 132 132 LYS HB3 H 1.422 0.005 2
1335 132 132 LYS HD2 H 0.861 0.006 1
1336 132 132 LYS HD3 H 0.861 0.006 1
1337 132 132 LYS C C 175.700 0.000 1
1338 132 132 LYS CA C 57.487 0.091 1
1339 132 132 LYS CB C 28.962 0.090 1
1340 132 132 LYS CD C 26.650 0.069 1
1341 132 132 LYS N N 110.605 0.087 1
1342 133 133 SER H H 9.154 0.003 1
1343 133 133 SER HA H 3.781 0.005 1
1344 133 133 SER HB2 H 3.498 0.004 2
1345 133 133 SER HB3 H 3.966 0.005 2
1346 133 133 SER C C 172.165 0.000 1
1347 133 133 SER CA C 60.625 0.097 1
1348 133 133 SER CB C 62.801 0.078 1
1349 133 133 SER N N 114.308 0.047 1
1350 134 134 ASP H H 8.654 0.005 1
1351 134 134 ASP HA H 4.471 0.007 1
1352 134 134 ASP HB2 H 2.614 0.005 2
1353 134 134 ASP HB3 H 2.541 0.012 2
1354 134 134 ASP C C 173.879 0.000 1
1355 134 134 ASP CA C 54.805 0.017 1
1356 134 134 ASP CB C 40.133 0.032 1
1357 134 134 ASP N N 116.742 0.044 1
1358 135 135 LEU H H 8.012 0.003 1
1359 135 135 LEU HA H 4.661 0.004 1
1360 135 135 LEU HB2 H 1.281 0.009 2
1361 135 135 LEU HB3 H 1.830 0.006 2
1362 135 135 LEU HD1 H 0.652 0.004 2
1363 135 135 LEU HD2 H 0.864 0.005 2
1364 135 135 LEU HG H 1.449 0.004 1
1365 135 135 LEU C C 174.303 0.000 1
1366 135 135 LEU CA C 53.230 0.052 1
1367 135 135 LEU CB C 39.945 0.080 1
1368 135 135 LEU CD1 C 22.589 0.069 2
1369 135 135 LEU CD2 C 26.698 0.037 2
1370 135 135 LEU CG C 25.727 0.117 1
1371 135 135 LEU N N 122.958 0.089 1
1372 136 136 GLU H H 6.617 0.002 1
1373 136 136 GLU HA H 3.674 0.007 1
1374 136 136 GLU HB2 H 2.154 0.007 2
1375 136 136 GLU HB3 H 1.816 0.005 2
1376 136 136 GLU HG2 H 2.383 0.004 2
1377 136 136 GLU HG3 H 2.064 0.009 2
1378 136 136 GLU C C 175.812 0.000 1
1379 136 136 GLU CA C 59.358 0.026 1
1380 136 136 GLU CB C 30.180 0.061 1
1381 136 136 GLU CG C 34.502 0.066 1
1382 136 136 GLU N N 119.289 0.062 1
1383 137 137 GLU H H 9.122 0.003 1
1384 137 137 GLU HA H 4.110 0.006 1
1385 137 137 GLU HB2 H 1.984 0.004 2
1386 137 137 GLU HB3 H 1.984 0.004 2
1387 137 137 GLU HG2 H 2.181 0.019 2
1388 137 137 GLU HG3 H 2.250 0.026 2
1389 137 137 GLU C C 174.709 0.000 1
1390 137 137 GLU CA C 58.722 0.018 1
1391 137 137 GLU CB C 28.919 0.047 1
1392 137 137 GLU CG C 36.223 0.052 1
1393 137 137 GLU N N 116.893 0.066 1
1394 138 138 ARG H H 7.914 0.004 1
1395 138 138 ARG HA H 4.506 0.003 1
1396 138 138 ARG HB2 H 1.629 0.013 2
1397 138 138 ARG HB3 H 2.219 0.010 2
1398 138 138 ARG HD2 H 3.156 0.004 2
1399 138 138 ARG HD3 H 3.156 0.004 2
1400 138 138 ARG HG2 H 1.554 0.006 2
1401 138 138 ARG HG3 H 1.554 0.006 2
1402 138 138 ARG C C 173.197 0.000 1
1403 138 138 ARG CA C 54.144 0.021 1
1404 138 138 ARG CB C 30.356 0.073 1
1405 138 138 ARG CD C 43.685 0.031 1
1406 138 138 ARG CG C 27.211 0.032 1
1407 138 138 ARG N N 117.314 0.094 1
1408 139 139 ARG H H 7.408 0.006 1
1409 139 139 ARG HA H 3.459 0.005 1
1410 139 139 ARG HB2 H 1.954 0.008 2
1411 139 139 ARG HB3 H 1.550 0.006 2
1412 139 139 ARG HD2 H 2.853 0.009 2
1413 139 139 ARG HD3 H 3.569 0.001 2
1414 139 139 ARG HE H 8.160 0.014 1
1415 139 139 ARG HG2 H 1.090 0.000 2
1416 139 139 ARG HG3 H 1.287 0.007 2
1417 139 139 ARG C C 174.474 0.000 1
1418 139 139 ARG CA C 58.810 0.085 1
1419 139 139 ARG CB C 31.769 0.056 1
1420 139 139 ARG CD C 43.519 0.082 1
1421 139 139 ARG N N 120.315 0.069 1
1422 139 139 ARG NE N 79.979 0.072 1
1423 140 140 GLN H H 9.524 0.004 1
1424 140 140 GLN HA H 4.542 0.004 1
1425 140 140 GLN HB2 H 1.457 0.009 2
1426 140 140 GLN HB3 H 1.457 0.009 2
1427 140 140 GLN HE21 H 6.976 0.002 1
1428 140 140 GLN HE22 H 7.369 0.002 1
1429 140 140 GLN HG2 H 2.452 0.004 2
1430 140 140 GLN HG3 H 2.650 0.005 2
1431 140 140 GLN C C 172.552 0.000 1
1432 140 140 GLN CA C 55.103 0.011 1
1433 140 140 GLN CB C 32.550 0.041 1
1434 140 140 GLN CG C 33.968 0.049 1
1435 140 140 GLN N N 123.915 0.062 1
1436 140 140 GLN NE2 N 110.883 0.035 1
1437 141 141 VAL H H 7.149 0.010 1
1438 141 141 VAL HA H 4.386 0.010 1
1439 141 141 VAL HB H 2.036 0.006 1
1440 141 141 VAL HG1 H -0.051 0.004 2
1441 141 141 VAL HG2 H 0.711 0.005 2
1442 141 141 VAL CA C 58.851 0.044 1
1443 141 141 VAL CB C 33.147 0.031 1
1444 141 141 VAL CG1 C 19.577 0.040 2
1445 141 141 VAL CG2 C 20.370 0.075 2
1446 141 141 VAL N N 120.645 0.051 1
1447 142 142 PRO HA H 4.377 0.004 1
1448 142 142 PRO HB2 H 1.671 0.003 2
1449 142 142 PRO HB3 H 2.376 0.004 2
1450 142 142 PRO HD2 H 3.969 0.006 2
1451 142 142 PRO HD3 H 3.767 0.006 2
1452 142 142 PRO HG2 H 1.797 0.005 2
1453 142 142 PRO HG3 H 2.015 0.004 2
1454 142 142 PRO C C 174.817 0.000 1
1455 142 142 PRO CA C 62.581 0.060 1
1456 142 142 PRO CB C 32.610 0.077 1
1457 142 142 PRO CD C 50.825 0.078 1
1458 142 142 PRO CG C 27.613 0.052 1
1459 143 143 VAL H H 8.770 0.006 1
1460 143 143 VAL HA H 3.482 0.006 1
1461 143 143 VAL HB H 1.914 0.003 1
1462 143 143 VAL HG1 H 1.167 0.008 2
1463 143 143 VAL HG2 H 0.925 0.005 2
1464 143 143 VAL C C 175.331 0.000 1
1465 143 143 VAL CA C 66.366 0.076 1
1466 143 143 VAL CB C 32.128 0.022 1
1467 143 143 VAL CG1 C 22.193 0.094 2
1468 143 143 VAL CG2 C 21.078 0.047 2
1469 143 143 VAL N N 125.730 0.035 1
1470 144 144 GLU H H 8.801 0.004 1
1471 144 144 GLU HA H 3.841 0.003 1
1472 144 144 GLU HB2 H 1.846 0.006 2
1473 144 144 GLU HB3 H 1.846 0.006 2
1474 144 144 GLU HG2 H 2.170 0.010 2
1475 144 144 GLU HG3 H 2.248 0.010 2
1476 144 144 GLU C C 176.595 0.000 1
1477 144 144 GLU CA C 59.293 0.040 1
1478 144 144 GLU CB C 28.818 0.075 1
1479 144 144 GLU CG C 36.064 0.022 1
1480 144 144 GLU N N 114.287 0.043 1
1481 145 145 GLU H H 6.968 0.004 1
1482 145 145 GLU HA H 3.794 0.005 1
1483 145 145 GLU HB2 H 1.774 0.007 1
1484 145 145 GLU HB3 H 1.774 0.007 1
1485 145 145 GLU HG2 H 1.760 0.005 2
1486 145 145 GLU HG3 H 2.133 0.004 2
1487 145 145 GLU C C 176.209 0.000 1
1488 145 145 GLU CA C 58.878 0.079 1
1489 145 145 GLU CB C 29.554 0.070 1
1490 145 145 GLU CG C 35.616 0.052 1
1491 145 145 GLU N N 120.510 0.035 1
1492 146 146 ALA H H 6.693 0.002 1
1493 146 146 ALA HA H 3.511 0.013 1
1494 146 146 ALA HB H 0.383 0.006 1
1495 146 146 ALA C C 176.304 0.000 1
1496 146 146 ALA CA C 54.619 0.082 1
1497 146 146 ALA CB C 17.638 0.038 1
1498 146 146 ALA N N 121.572 0.054 1
1499 147 147 ARG H H 8.540 0.007 1
1500 147 147 ARG HA H 3.520 0.006 1
1501 147 147 ARG HB2 H 1.686 0.012 2
1502 147 147 ARG HB3 H 1.712 0.012 2
1503 147 147 ARG HD2 H 3.158 0.010 2
1504 147 147 ARG HD3 H 3.128 0.013 2
1505 147 147 ARG HG2 H 1.753 0.031 2
1506 147 147 ARG HG3 H 1.608 0.016 2
1507 147 147 ARG C C 176.681 0.000 1
1508 147 147 ARG CA C 59.909 0.084 1
1509 147 147 ARG CB C 30.151 0.011 1
1510 147 147 ARG CD C 43.529 0.073 1
1511 147 147 ARG CG C 27.814 0.091 1
1512 147 147 ARG N N 116.860 0.045 1
1513 148 148 SER H H 7.660 0.009 1
1514 148 148 SER HA H 4.054 0.005 1
1515 148 148 SER HB2 H 3.821 0.009 2
1516 148 148 SER HB3 H 3.792 0.004 2
1517 148 148 SER C C 174.456 0.000 1
1518 148 148 SER CA C 61.697 0.056 1
1519 148 148 SER CB C 62.599 0.033 1
1520 148 148 SER N N 112.639 0.034 1
1521 149 149 LYS H H 7.057 0.009 1
1522 149 149 LYS HA H 3.606 0.009 1
1523 149 149 LYS HB2 H 1.495 0.009 2
1524 149 149 LYS HB3 H 1.269 0.008 2
1525 149 149 LYS HD2 H 0.938 0.019 2
1526 149 149 LYS HD3 H 0.960 0.011 2
1527 149 149 LYS HE2 H 2.335 0.006 2
1528 149 149 LYS HE3 H 2.528 0.006 2
1529 149 149 LYS HG2 H 0.433 0.010 2
1530 149 149 LYS HG3 H -0.445 0.006 2
1531 149 149 LYS C C 174.066 0.000 1
1532 149 149 LYS CA C 56.543 0.053 1
1533 149 149 LYS CB C 30.076 0.095 1
1534 149 149 LYS CD C 26.110 0.043 1
1535 149 149 LYS CE C 40.907 0.067 1
1536 149 149 LYS CG C 21.363 0.042 1
1537 149 149 LYS N N 123.421 0.042 1
1538 150 150 ALA H H 7.745 0.008 1
1539 150 150 ALA HA H 3.715 0.006 1
1540 150 150 ALA HB H 1.359 0.004 1
1541 150 150 ALA C C 177.138 0.000 1
1542 150 150 ALA CA C 55.476 0.028 1
1543 150 150 ALA CB C 17.842 0.026 1
1544 150 150 ALA N N 119.450 0.047 1
1545 151 151 GLU H H 8.166 0.005 1
1546 151 151 GLU HA H 4.069 0.006 1
1547 151 151 GLU HB2 H 2.081 0.010 2
1548 151 151 GLU HB3 H 2.002 0.009 2
1549 151 151 GLU HG2 H 2.189 0.003 2
1550 151 151 GLU HG3 H 2.366 0.005 2
1551 151 151 GLU C C 178.401 0.000 1
1552 151 151 GLU CA C 59.537 0.050 1
1553 151 151 GLU CB C 29.232 0.056 1
1554 151 151 GLU CG C 36.575 0.060 1
1555 151 151 GLU N N 116.789 0.079 1
1556 152 152 GLU H H 7.732 0.004 1
1557 152 152 GLU HA H 3.935 0.005 1
1558 152 152 GLU HB2 H 2.019 0.008 2
1559 152 152 GLU HB3 H 2.019 0.008 2
1560 152 152 GLU HG2 H 2.344 0.004 2
1561 152 152 GLU HG3 H 2.069 0.003 2
1562 152 152 GLU C C 176.644 0.000 1
1563 152 152 GLU CA C 59.466 0.047 1
1564 152 152 GLU CB C 29.109 0.025 1
1565 152 152 GLU CG C 35.999 0.017 1
1566 152 152 GLU N N 122.914 0.049 1
1567 153 153 TRP H H 7.736 0.005 1
1568 153 153 TRP HA H 4.737 0.002 1
1569 153 153 TRP HB2 H 3.354 0.006 2
1570 153 153 TRP HB3 H 3.089 0.010 2
1571 153 153 TRP HD1 H 6.808 0.010 1
1572 153 153 TRP HE1 H 9.818 0.002 1
1573 153 153 TRP HE3 H 6.921 0.005 1
1574 153 153 TRP HH2 H 6.813 0.006 1
1575 153 153 TRP HZ2 H 7.040 0.004 1
1576 153 153 TRP HZ3 H 6.607 0.005 1
1577 153 153 TRP C C 174.239 0.000 1
1578 153 153 TRP CA C 54.867 0.003 1
1579 153 153 TRP CB C 30.143 0.048 1
1580 153 153 TRP CD1 C 122.598 0.037 1
1581 153 153 TRP CE3 C 118.863 0.048 1
1582 153 153 TRP CH2 C 123.253 0.043 1
1583 153 153 TRP CZ2 C 113.632 0.051 1
1584 153 153 TRP CZ3 C 120.653 0.066 1
1585 153 153 TRP N N 118.538 0.062 1
1586 153 153 TRP NE1 N 127.032 0.065 1
1587 154 154 GLY H H 8.240 0.003 1
1588 154 154 GLY HA2 H 4.029 0.010 2
1589 154 154 GLY HA3 H 4.002 0.013 2
1590 154 154 GLY C C 172.885 0.000 1
1591 154 154 GLY CA C 46.602 0.038 1
1592 154 154 GLY N N 111.138 0.029 1
1593 155 155 VAL H H 8.236 0.008 1
1594 155 155 VAL HA H 4.983 0.004 1
1595 155 155 VAL HB H 2.693 0.004 1
1596 155 155 VAL HG1 H 1.031 0.010 2
1597 155 155 VAL HG2 H 0.980 0.010 2
1598 155 155 VAL C C 172.284 0.000 1
1599 155 155 VAL CA C 58.876 0.033 1
1600 155 155 VAL CB C 35.632 0.061 1
1601 155 155 VAL CG1 C 18.979 0.034 2
1602 155 155 VAL CG2 C 22.668 0.082 2
1603 155 155 VAL N N 112.397 0.055 1
1604 156 156 GLN H H 8.797 0.003 1
1605 156 156 GLN HA H 4.353 0.005 1
1606 156 156 GLN HB2 H 1.941 0.011 2
1607 156 156 GLN HB3 H 1.941 0.011 2
1608 156 156 GLN HE21 H 7.113 0.003 1
1609 156 156 GLN HE22 H 7.495 0.003 1
1610 156 156 GLN HG2 H 2.366 0.006 2
1611 156 156 GLN HG3 H 2.262 0.007 2
1612 156 156 GLN C C 171.540 0.000 1
1613 156 156 GLN CA C 55.243 0.049 1
1614 156 156 GLN CB C 30.556 0.036 1
1615 156 156 GLN CD C 178.084 0.002 1
1616 156 156 GLN CG C 34.419 0.060 1
1617 156 156 GLN N N 118.627 0.048 1
1618 156 156 GLN NE2 N 113.512 0.132 1
1619 157 157 TYR H H 8.105 0.008 1
1620 157 157 TYR HA H 5.777 0.007 1
1621 157 157 TYR HB2 H 2.563 0.007 2
1622 157 157 TYR HB3 H 2.724 0.003 2
1623 157 157 TYR HD1 H 6.854 0.004 3
1624 157 157 TYR HD2 H 6.854 0.004 3
1625 157 157 TYR HE1 H 6.660 0.009 3
1626 157 157 TYR HE2 H 6.660 0.009 3
1627 157 157 TYR HH H 11.414 0.004 1
1628 157 157 TYR C C 172.803 0.000 1
1629 157 157 TYR CA C 55.138 0.059 1
1630 157 157 TYR CB C 41.318 0.030 1
1631 157 157 TYR CD1 C 132.003 0.092 3
1632 157 157 TYR CD2 C 132.003 0.092 3
1633 157 157 TYR CE1 C 119.539 0.095 3
1634 157 157 TYR CE2 C 119.539 0.095 3
1635 157 157 TYR N N 120.150 0.064 1
1636 158 158 VAL H H 8.240 0.006 1
1637 158 158 VAL HA H 3.690 0.003 1
1638 158 158 VAL HB H 1.382 0.004 1
1639 158 158 VAL HG1 H 0.674 0.007 2
1640 158 158 VAL HG2 H 0.605 0.014 2
1641 158 158 VAL C C 170.745 0.000 1
1642 158 158 VAL CA C 60.366 0.053 1
1643 158 158 VAL CB C 36.197 0.043 1
1644 158 158 VAL CG1 C 22.111 0.031 2
1645 158 158 VAL CG2 C 22.080 0.042 2
1646 158 158 VAL N N 129.201 0.036 1
1647 159 159 GLU H H 8.182 0.009 1
1648 159 159 GLU HA H 5.119 0.005 1
1649 159 159 GLU HB2 H 1.658 0.010 2
1650 159 159 GLU HB3 H 1.658 0.010 2
1651 159 159 GLU HG2 H 2.178 0.007 2
1652 159 159 GLU HG3 H 2.178 0.007 2
1653 159 159 GLU C C 174.873 0.000 1
1654 159 159 GLU CA C 54.980 0.023 1
1655 159 159 GLU CB C 30.524 0.122 1
1656 159 159 GLU CG C 36.234 0.104 1
1657 159 159 GLU N N 122.665 0.074 1
1658 160 160 THR H H 8.826 0.012 1
1659 160 160 THR HA H 4.770 0.010 1
1660 160 160 THR HB H 3.860 0.004 1
1661 160 160 THR HG2 H 0.662 0.002 1
1662 160 160 THR C C 173.285 0.000 1
1663 160 160 THR CA C 59.609 0.022 1
1664 160 160 THR CB C 73.381 0.019 1
1665 160 160 THR CG2 C 22.939 0.082 1
1666 160 160 THR N N 114.155 0.077 1
1667 161 161 SER H H 8.031 0.007 1
1668 161 161 SER HA H 4.871 0.002 1
1669 161 161 SER HB2 H 3.737 0.004 2
1670 161 161 SER HB3 H 3.862 0.001 2
1671 161 161 SER C C 173.322 0.000 1
1672 161 161 SER CA C 57.616 0.009 1
1673 161 161 SER CB C 64.145 0.030 1
1674 161 161 SER N N 110.549 0.047 1
1675 162 162 ALA H H 9.029 0.005 1
1676 162 162 ALA HA H 3.845 0.005 1
1677 162 162 ALA HB H 1.508 0.005 1
1678 162 162 ALA C C 173.391 0.000 1
1679 162 162 ALA CA C 54.769 0.055 1
1680 162 162 ALA CB C 18.612 0.066 1
1681 162 162 ALA N N 132.038 0.081 1
1682 163 163 LYS H H 6.876 0.006 1
1683 163 163 LYS HA H 2.214 0.009 1
1684 163 163 LYS HB2 H 0.986 0.009 2
1685 163 163 LYS HB3 H 0.429 0.007 2
1686 163 163 LYS HD2 H 1.321 0.006 2
1687 163 163 LYS HD3 H 1.193 0.005 2
1688 163 163 LYS HE2 H 2.706 0.007 2
1689 163 163 LYS HE3 H 2.696 0.007 2
1690 163 163 LYS HG2 H 0.290 0.008 2
1691 163 163 LYS HG3 H 0.600 0.007 2
1692 163 163 LYS C C 174.651 0.000 1
1693 163 163 LYS CA C 58.290 0.057 1
1694 163 163 LYS CB C 34.016 0.055 1
1695 163 163 LYS CD C 29.710 0.080 1
1696 163 163 LYS CE C 42.118 0.051 1
1697 163 163 LYS CG C 24.749 0.098 1
1698 163 163 LYS N N 115.128 0.052 1
1699 164 164 THR H H 7.668 0.003 1
1700 164 164 THR HA H 4.047 0.004 1
1701 164 164 THR HB H 4.345 0.004 1
1702 164 164 THR HG1 H 5.249 0.007 1
1703 164 164 THR HG2 H 0.965 0.003 1
1704 164 164 THR C C 173.057 0.000 1
1705 164 164 THR CA C 61.351 0.052 1
1706 164 164 THR CB C 69.200 0.035 1
1707 164 164 THR CG2 C 21.242 0.082 1
1708 164 164 THR N N 105.784 0.067 1
1709 165 165 ARG H H 7.634 0.006 1
1710 165 165 ARG HA H 3.440 0.015 1
1711 165 165 ARG HB2 H 2.139 0.006 2
1712 165 165 ARG HB3 H 2.139 0.006 2
1713 165 165 ARG HD2 H 3.055 0.009 2
1714 165 165 ARG HD3 H 3.055 0.009 2
1715 165 165 ARG HE H 6.887 0.005 1
1716 165 165 ARG HG2 H 1.736 0.020 2
1717 165 165 ARG HG3 H 1.198 0.005 2
1718 165 165 ARG C C 173.434 0.000 1
1719 165 165 ARG CA C 58.552 0.098 1
1720 165 165 ARG CB C 30.197 0.062 1
1721 165 165 ARG CD C 43.251 0.030 1
1722 165 165 ARG CG C 32.266 0.048 1
1723 165 165 ARG N N 118.938 0.058 1
1724 165 165 ARG NE N 84.261 0.036 1
1725 166 166 ALA H H 7.562 0.006 1
1726 166 166 ALA HA H 4.069 0.002 1
1727 166 166 ALA HB H 1.119 0.002 1
1728 166 166 ALA C C 175.194 0.000 1
1729 166 166 ALA CA C 54.044 0.038 1
1730 166 166 ALA CB C 18.406 0.054 1
1731 166 166 ALA N N 126.151 0.031 1
1732 167 167 ASN H H 8.942 0.007 1
1733 167 167 ASN HA H 4.526 0.006 1
1734 167 167 ASN HB2 H 3.181 0.007 2
1735 167 167 ASN HB3 H 2.727 0.006 2
1736 167 167 ASN HD21 H 6.776 0.005 1
1737 167 167 ASN HD22 H 7.829 0.005 1
1738 167 167 ASN C C 171.515 0.000 1
1739 167 167 ASN CA C 54.266 0.041 1
1740 167 167 ASN CB C 37.070 0.075 1
1741 167 167 ASN N N 115.708 0.052 1
1742 167 167 ASN ND2 N 111.502 0.045 1
1743 168 168 VAL H H 7.285 0.006 1
1744 168 168 VAL HA H 3.364 0.004 1
1745 168 168 VAL HB H 1.834 0.004 1
1746 168 168 VAL HG1 H 0.742 0.003 2
1747 168 168 VAL HG2 H 1.024 0.006 2
1748 168 168 VAL C C 173.722 0.000 1
1749 168 168 VAL CA C 67.725 0.047 1
1750 168 168 VAL CB C 31.479 0.036 1
1751 168 168 VAL CG1 C 24.689 0.050 2
1752 168 168 VAL CG2 C 21.338 0.018 2
1753 168 168 VAL N N 119.506 0.062 1
1754 169 169 ASP H H 7.976 0.004 1
1755 169 169 ASP HA H 4.455 0.004 1
1756 169 169 ASP HB2 H 2.455 0.010 2
1757 169 169 ASP HB3 H 2.405 0.010 2
1758 169 169 ASP C C 177.446 0.000 1
1759 169 169 ASP CA C 58.077 0.045 1
1760 169 169 ASP CB C 39.565 0.052 1
1761 169 169 ASP N N 116.182 0.046 1
1762 170 170 LYS H H 7.666 0.003 1
1763 170 170 LYS HA H 3.865 0.012 1
1764 170 170 LYS HB2 H 1.709 0.004 2
1765 170 170 LYS HB3 H 1.469 0.007 2
1766 170 170 LYS HD2 H 1.242 0.004 2
1767 170 170 LYS HD3 H 1.554 0.002 2
1768 170 170 LYS HE2 H 2.638 0.005 2
1769 170 170 LYS HE3 H 3.041 0.003 2
1770 170 170 LYS HG2 H 1.382 0.010 2
1771 170 170 LYS HG3 H 1.382 0.009 2
1772 170 170 LYS C C 175.439 0.000 1
1773 170 170 LYS CA C 59.669 0.120 1
1774 170 170 LYS CB C 32.536 0.048 1
1775 170 170 LYS CD C 29.601 0.043 1
1776 170 170 LYS CE C 42.367 0.072 1
1777 170 170 LYS CG C 24.767 0.022 1
1778 170 170 LYS N N 117.086 0.045 1
1779 171 171 VAL H H 7.324 0.005 1
1780 171 171 VAL HA H 3.668 0.006 1
1781 171 171 VAL HB H 1.679 0.005 1
1782 171 171 VAL HG1 H 0.654 0.006 2
1783 171 171 VAL HG2 H 0.706 0.006 2
1784 171 171 VAL C C 174.452 0.000 1
1785 171 171 VAL CA C 66.043 0.037 1
1786 171 171 VAL CB C 30.197 0.047 1
1787 171 171 VAL CG1 C 18.437 0.048 2
1788 171 171 VAL CG2 C 23.798 0.067 2
1789 171 171 VAL N N 109.267 0.054 1
1790 172 172 PHE H H 6.627 0.012 1
1791 172 172 PHE HA H 3.663 0.004 1
1792 172 172 PHE HB2 H 2.149 0.008 2
1793 172 172 PHE HB3 H 1.906 0.011 2
1794 172 172 PHE HD1 H 6.746 0.015 3
1795 172 172 PHE HD2 H 6.746 0.015 3
1796 172 172 PHE HE1 H 6.721 0.009 3
1797 172 172 PHE HE2 H 6.721 0.009 3
1798 172 172 PHE C C 175.976 0.000 1
1799 172 172 PHE CA C 63.179 0.081 1
1800 172 172 PHE CB C 39.614 0.051 1
1801 172 172 PHE CD1 C 130.806 0.065 3
1802 172 172 PHE CD2 C 130.806 0.065 3
1803 172 172 PHE CE1 C 128.521 0.081 3
1804 172 172 PHE CE2 C 128.521 0.081 3
1805 172 172 PHE N N 116.803 0.049 1
1806 173 173 PHE H H 8.894 0.004 1
1807 173 173 PHE HA H 4.111 0.004 1
1808 173 173 PHE HB2 H 2.853 0.008 2
1809 173 173 PHE HB3 H 3.225 0.008 2
1810 173 173 PHE HD1 H 7.374 0.006 3
1811 173 173 PHE HD2 H 7.374 0.006 3
1812 173 173 PHE HE1 H 7.412 0.005 3
1813 173 173 PHE HE2 H 7.412 0.005 3
1814 173 173 PHE HZ H 7.280 0.004 1
1815 173 173 PHE C C 175.895 0.000 1
1816 173 173 PHE CA C 61.447 0.032 1
1817 173 173 PHE CB C 37.795 0.043 1
1818 173 173 PHE CD1 C 131.037 0.093 3
1819 173 173 PHE CD2 C 131.037 0.093 3
1820 173 173 PHE CE1 C 130.988 0.081 3
1821 173 173 PHE CE2 C 130.988 0.081 3
1822 173 173 PHE CZ C 129.645 0.082 1
1823 173 173 PHE N N 119.032 0.041 1
1824 174 174 ASP H H 9.463 0.004 1
1825 174 174 ASP HA H 4.353 0.005 1
1826 174 174 ASP HB2 H 2.688 0.010 2
1827 174 174 ASP HB3 H 2.377 0.008 2
1828 174 174 ASP C C 178.229 0.000 1
1829 174 174 ASP CA C 57.644 0.072 1
1830 174 174 ASP CB C 38.910 0.084 1
1831 174 174 ASP N N 119.786 0.058 1
1832 175 175 LEU H H 7.515 0.008 1
1833 175 175 LEU HA H 3.943 0.003 1
1834 175 175 LEU HB2 H 1.658 0.006 2
1835 175 175 LEU HB3 H 1.402 0.005 2
1836 175 175 LEU HD1 H 0.639 0.006 2
1837 175 175 LEU HD2 H 0.575 0.009 2
1838 175 175 LEU HG H 1.243 0.008 1
1839 175 175 LEU C C 176.716 0.000 1
1840 175 175 LEU CA C 57.904 0.083 1
1841 175 175 LEU CB C 41.138 0.060 1
1842 175 175 LEU CD1 C 22.303 0.047 2
1843 175 175 LEU CD2 C 28.214 0.084 2
1844 175 175 LEU CG C 26.559 0.089 1
1845 175 175 LEU N N 120.106 0.061 1
1846 176 176 MET H H 8.197 0.013 1
1847 176 176 MET HA H 3.322 0.009 1
1848 176 176 MET HB2 H 1.574 0.010 2
1849 176 176 MET HB3 H 2.363 0.005 2
1850 176 176 MET HE H 1.540 0.007 1
1851 176 176 MET HG2 H 1.834 0.005 2
1852 176 176 MET HG3 H 2.790 0.008 2
1853 176 176 MET C C 175.513 0.000 1
1854 176 176 MET CA C 61.230 0.038 1
1855 176 176 MET CB C 35.530 0.084 1
1856 176 176 MET CE C 17.656 0.033 1
1857 176 176 MET CG C 33.568 0.038 1
1858 176 176 MET N N 117.287 0.060 1
1859 177 177 ARG H H 8.222 0.008 1
1860 177 177 ARG HA H 3.648 0.006 1
1861 177 177 ARG HB2 H 1.813 0.005 1
1862 177 177 ARG HB3 H 1.813 0.005 1
1863 177 177 ARG HD2 H 3.149 0.005 2
1864 177 177 ARG HD3 H 3.113 0.013 2
1865 177 177 ARG HE H 9.083 0.009 1
1866 177 177 ARG HG2 H 1.330 0.005 2
1867 177 177 ARG HG3 H 2.091 0.004 2
1868 177 177 ARG HH12 H 6.667 0.000 1
1869 177 177 ARG HH22 H 7.046 0.000 1
1870 177 177 ARG C C 176.738 0.000 1
1871 177 177 ARG CA C 61.180 0.000 1
1872 177 177 ARG CB C 29.584 0.000 1
1873 177 177 ARG CD C 43.597 0.017 1
1874 177 177 ARG CG C 30.667 0.052 1
1875 177 177 ARG N N 117.222 0.049 1
1876 177 177 ARG NE N 115.576 0.057 1
1877 178 178 GLU H H 7.567 0.006 1
1878 178 178 GLU HA H 4.042 0.005 1
1879 178 178 GLU HB2 H 2.221 0.003 2
1880 178 178 GLU HB3 H 2.115 0.020 2
1881 178 178 GLU HG2 H 2.249 0.006 2
1882 178 178 GLU HG3 H 2.357 0.013 2
1883 178 178 GLU C C 177.731 0.000 1
1884 178 178 GLU CA C 59.958 0.017 1
1885 178 178 GLU CB C 29.878 0.091 1
1886 178 178 GLU CG C 36.022 0.105 1
1887 178 178 GLU N N 120.301 0.047 1
1888 179 179 ILE H H 8.271 0.009 1
1889 179 179 ILE HA H 3.397 0.008 1
1890 179 179 ILE HB H 1.401 0.008 1
1891 179 179 ILE HD1 H 0.525 0.008 1
1892 179 179 ILE HG12 H 1.689 0.016 2
1893 179 179 ILE HG13 H 0.705 0.013 2
1894 179 179 ILE HG2 H 0.873 0.007 1
1895 179 179 ILE C C 174.975 0.000 1
1896 179 179 ILE CA C 66.084 0.046 1
1897 179 179 ILE CB C 38.108 0.063 1
1898 179 179 ILE CD1 C 15.273 0.103 1
1899 179 179 ILE CG1 C 27.827 0.103 1
1900 179 179 ILE CG2 C 19.597 0.054 1
1901 179 179 ILE N N 121.483 0.031 1
1902 180 180 ARG H H 8.605 0.004 1
1903 180 180 ARG HA H 3.655 0.003 1
1904 180 180 ARG HB2 H 2.085 0.006 2
1905 180 180 ARG HB3 H 2.087 0.009 2
1906 180 180 ARG HD2 H 3.024 0.004 2
1907 180 180 ARG HD3 H 3.276 0.005 2
1908 180 180 ARG HE H 7.366 0.014 1
1909 180 180 ARG HG2 H 1.435 0.005 2
1910 180 180 ARG HG3 H 1.812 0.005 2
1911 180 180 ARG C C 175.571 0.000 1
1912 180 180 ARG CA C 60.313 0.017 1
1913 180 180 ARG CB C 30.362 0.088 1
1914 180 180 ARG CD C 43.744 0.027 1
1915 180 180 ARG CG C 26.569 0.034 1
1916 180 180 ARG N N 120.594 0.031 1
1917 180 180 ARG NE N 113.024 0.000 1
1918 181 181 THR H H 8.186 0.009 1
1919 181 181 THR HA H 3.789 0.004 1
1920 181 181 THR HB H 4.218 0.003 1
1921 181 181 THR HG1 H 4.704 0.000 1
1922 181 181 THR HG2 H 1.178 0.004 1
1923 181 181 THR C C 174.230 0.000 1
1924 181 181 THR CA C 66.883 0.054 1
1925 181 181 THR CB C 68.933 0.037 1
1926 181 181 THR CG2 C 21.673 0.035 1
1927 181 181 THR N N 115.217 0.042 1
1928 182 182 LYS H H 7.673 0.004 1
1929 182 182 LYS HA H 3.996 0.006 1
1930 182 182 LYS HB2 H 2.085 0.007 2
1931 182 182 LYS HB3 H 1.870 0.009 2
1932 182 182 LYS HD2 H 1.641 0.002 2
1933 182 182 LYS HD3 H 1.641 0.002 2
1934 182 182 LYS HE2 H 3.089 0.005 1
1935 182 182 LYS HE3 H 3.089 0.005 1
1936 182 182 LYS HG2 H 1.329 0.005 2
1937 182 182 LYS HG3 H 1.456 0.003 2
1938 182 182 LYS C C 177.027 0.000 1
1939 182 182 LYS CA C 59.453 0.114 1
1940 182 182 LYS CB C 32.451 0.065 1
1941 182 182 LYS CD C 30.023 0.056 1
1942 182 182 LYS CE C 42.667 0.055 1
1943 182 182 LYS CG C 24.885 0.020 1
1944 182 182 LYS N N 123.532 0.044 1
1945 183 183 LYS H H 8.443 0.007 1
1946 183 183 LYS HA H 3.971 0.010 1
1947 183 183 LYS HB2 H 1.833 0.007 2
1948 183 183 LYS HB3 H 1.834 0.006 2
1949 183 183 LYS HD2 H 1.642 0.001 2
1950 183 183 LYS HD3 H 1.644 0.002 2
1951 183 183 LYS HE2 H 2.940 0.003 1
1952 183 183 LYS HE3 H 2.940 0.003 1
1953 183 183 LYS HG2 H 1.462 0.004 2
1954 183 183 LYS HG3 H 1.333 0.006 2
1955 183 183 LYS C C 177.139 0.000 1
1956 183 183 LYS CA C 59.609 0.133 1
1957 183 183 LYS CB C 33.491 0.056 1
1958 183 183 LYS CD C 30.135 0.003 1
1959 183 183 LYS CE C 41.952 0.000 1
1960 183 183 LYS CG C 24.883 0.014 1
1961 183 183 LYS N N 119.398 0.060 1
1962 184 184 MET H H 8.261 0.009 1
1963 184 184 MET HA H 4.257 0.005 1
1964 184 184 MET HB2 H 2.182 0.011 2
1965 184 184 MET HB3 H 2.102 0.012 2
1966 184 184 MET HE H 2.057 0.011 1
1967 184 184 MET HG2 H 2.575 0.003 2
1968 184 184 MET HG3 H 2.766 0.004 2
1969 184 184 MET C C 175.512 0.000 1
1970 184 184 MET CA C 57.606 0.032 1
1971 184 184 MET CB C 32.557 0.023 1
1972 184 184 MET CE C 16.679 0.034 1
1973 184 184 MET CG C 32.536 0.022 1
1974 184 184 MET N N 116.740 0.028 1
1975 185 185 SER H H 7.728 0.003 1
1976 185 185 SER HA H 4.368 0.002 1
1977 185 185 SER HB2 H 3.981 0.005 2
1978 185 185 SER HB3 H 3.981 0.005 2
1979 185 185 SER C C 172.557 0.000 1
1980 185 185 SER CA C 59.845 0.011 1
1981 185 185 SER CB C 63.734 0.041 1
1982 185 185 SER N N 114.106 0.042 1
1983 186 186 GLU H H 7.691 0.004 1
1984 186 186 GLU HA H 4.253 0.006 1
1985 186 186 GLU HB2 H 1.964 0.008 2
1986 186 186 GLU HB3 H 2.044 0.011 2
1987 186 186 GLU HG2 H 2.236 0.008 2
1988 186 186 GLU HG3 H 2.371 0.015 2
1989 186 186 GLU C C 173.947 0.000 1
1990 186 186 GLU CA C 56.833 0.066 1
1991 186 186 GLU CB C 30.341 0.060 1
1992 186 186 GLU CG C 36.303 0.121 1
1993 186 186 GLU N N 120.518 0.019 1
1994 187 187 ASN H H 8.078 0.006 1
1995 187 187 ASN HA H 4.693 0.003 1
1996 187 187 ASN HB2 H 2.705 0.004 2
1997 187 187 ASN HB3 H 2.840 0.004 2
1998 187 187 ASN HD21 H 6.862 0.010 1
1999 187 187 ASN HD22 H 7.539 0.002 1
2000 187 187 ASN C C 171.738 0.000 1
2001 187 187 ASN CA C 53.448 0.003 1
2002 187 187 ASN CB C 38.874 0.049 1
2003 187 187 ASN N N 119.052 0.042 1
2004 187 187 ASN ND2 N 112.457 0.047 1
2005 188 188 LYS H H 7.760 0.006 1
2006 188 188 LYS HA H 4.110 0.006 1
2007 188 188 LYS HB2 H 1.665 0.004 2
2008 188 188 LYS HB3 H 1.789 0.004 2
2009 188 188 LYS HD2 H 1.621 0.006 2
2010 188 188 LYS HD3 H 1.621 0.006 2
2011 188 188 LYS HE2 H 2.934 0.005 2
2012 188 188 LYS HE3 H 2.934 0.005 2
2013 188 188 LYS HG2 H 1.340 0.011 1
2014 188 188 LYS HG3 H 1.340 0.011 1
2015 188 188 LYS CA C 57.736 0.018 1
2016 188 188 LYS CB C 33.699 0.037 1
2017 188 188 LYS CD C 29.154 0.049 1
2018 188 188 LYS CE C 42.082 0.045 1
2019 188 188 LYS CG C 24.845 0.022 1
2020 188 188 LYS N N 126.123 0.037 1
stop_
save_
save_assigned_chem_shift_list_1_3
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCA'
'3D HNCO'
'3D HN(CO)CA'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D H(CCO)NH'
'2D 1H-13C HSQC'
'3D HCCH-TOCSY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name GNP
_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
1 500 1 GNP H1 H 13.068 0.028 1
2 500 1 GNP H21 H 6.283 0.008 1
3 500 1 GNP H22 H 6.283 0.008 1
stop_
save_