data_16364
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution NMR structure of FHA domain of Mb1858 from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR243C (24-155).
;
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Yang Yunhuang . .
2 Ramelot Theresa A. .
3 Wang Dongyan . .
4 Foote Erica L. .
5 Jiang M. . .
6 Nair R. . .
7 Rost Burkhard . .
8 Swapna G.V.T . .
9 Acton Thomas B. .
10 Xiao Rong . .
11 Everett John K. .
12 Montelio Gaetano T. .
13 Kennedy Michael A. .
stop_
_BMRB_accession_number 16364
_BMRB_flat_file_name bmr16364.str
_Entry_type new
_Submission_date 2009-06-25
_Accession_date 2009-06-25
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'Forkhead-associated (FHA) domain'
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
spectral_peak_list 4
stop_
loop_
_Data_type
_Data_type_count
'1H chemical shifts' 941
'13C chemical shifts' 586
'15N chemical shifts' 150
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-07-07 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution NMR structure of FHA domain of Mb1858 from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR243C (24-155).'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Yang Yunhuang . .
2 Ramelot Theresa A. .
3 Wang Dongyan . .
4 Foote Erica L. .
5 Jiang M. . .
6 Nair R. . .
7 Rost Burkhard . .
8 Swapna G.V.T . .
9 Acton Thomas B. .
10 Xiao Rong . .
11 Everett John K. .
12 Montelio Gaetano T. .
13 Kennedy Michael A. .
stop_
_Journal_abbreviation 'Not known'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
loop_
_Keyword
FHA
Mb1858
'Mycobacterium bovis'
'Solution NMR'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name PROTEIN
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity $entity
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity
_Molecular_mass 15241.8
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 140
_Mol_residue_sequence
;
VFRADFLSELDAPAQAGTES
AVSGVEGLPPGLALLVVKRG
PNAGSRFLLDQAITSAGRHP
DSDIFLDDVTVSRRHAEFRL
ENNEFNVVDVGSLNGTYVNR
EPVDSAVLANGDEVQIGKFR
LVFLTGHKQGEDLEHHHHHH
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 24 VAL 2 25 PHE 3 26 ARG 4 27 ALA 5 28 ASP
6 29 PHE 7 30 LEU 8 31 SER 9 32 GLU 10 33 LEU
11 34 ASP 12 35 ALA 13 36 PRO 14 37 ALA 15 38 GLN
16 39 ALA 17 40 GLY 18 41 THR 19 42 GLU 20 43 SER
21 44 ALA 22 45 VAL 23 46 SER 24 47 GLY 25 48 VAL
26 49 GLU 27 50 GLY 28 51 LEU 29 52 PRO 30 53 PRO
31 54 GLY 32 55 LEU 33 56 ALA 34 57 LEU 35 58 LEU
36 59 VAL 37 60 VAL 38 61 LYS 39 62 ARG 40 63 GLY
41 64 PRO 42 65 ASN 43 66 ALA 44 67 GLY 45 68 SER
46 69 ARG 47 70 PHE 48 71 LEU 49 72 LEU 50 73 ASP
51 74 GLN 52 75 ALA 53 76 ILE 54 77 THR 55 78 SER
56 79 ALA 57 80 GLY 58 81 ARG 59 82 HIS 60 83 PRO
61 84 ASP 62 85 SER 63 86 ASP 64 87 ILE 65 88 PHE
66 89 LEU 67 90 ASP 68 91 ASP 69 92 VAL 70 93 THR
71 94 VAL 72 95 SER 73 96 ARG 74 97 ARG 75 98 HIS
76 99 ALA 77 100 GLU 78 101 PHE 79 102 ARG 80 103 LEU
81 104 GLU 82 105 ASN 83 106 ASN 84 107 GLU 85 108 PHE
86 109 ASN 87 110 VAL 88 111 VAL 89 112 ASP 90 113 VAL
91 114 GLY 92 115 SER 93 116 LEU 94 117 ASN 95 118 GLY
96 119 THR 97 120 TYR 98 121 VAL 99 122 ASN 100 123 ARG
101 124 GLU 102 125 PRO 103 126 VAL 104 127 ASP 105 128 SER
106 129 ALA 107 130 VAL 108 131 LEU 109 132 ALA 110 133 ASN
111 134 GLY 112 135 ASP 113 136 GLU 114 137 VAL 115 138 GLN
116 139 ILE 117 140 GLY 118 141 LYS 119 142 PHE 120 143 ARG
121 144 LEU 122 145 VAL 123 146 PHE 124 147 LEU 125 148 THR
126 149 GLY 127 150 HIS 128 151 LYS 129 152 GLN 130 153 GLY
131 154 GLU 132 155 ASP 133 156 LEU 134 157 GLU 135 158 HIS
136 159 HIS 137 160 HIS 138 161 HIS 139 162 HIS 140 163 HIS
stop_
_Sequence_homology_query_date 2009-09-22
_Sequence_homology_query_revised_last_date 2009-07-18
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 16248 entity 94.29 167 98.48 98.48 1.17e-67
PDB 2KFU "Pknb-Phosphorylated Rv1827" 94.29 162 98.48 98.48 8.32e-68
PDB 2KKL "Solution Nmr Structure Of Fha Domain Of Mb1858 From Mycobacterium Bovis. Northeast Structural Genomics Consortium Target Mbr243c (24-155)" 100.00 140 100.00 100.00 2.60e-74
DBJ BAH26133 "hypothetical protein cfp17 [Mycobacterium bovis BCG str. Tokyo 172]" 94.29 162 98.48 98.48 6.06e-68
EMBL CAB01474 "CONSERVED HYPOTHETICAL PROTEIN CFP17 [Mycobacterium tuberculosis H37Rv]" 94.29 162 98.48 98.48 6.06e-68
EMBL CAD94561 "CONSERVED HYPOTHETICAL PROTEIN CFP17 [Mycobacterium bovis AF2122/97]" 94.29 162 98.48 98.48 6.06e-68
EMBL CAL71849 "Conserved hypothetical protein cfp17 [Mycobacterium bovis BCG str. Pasteur 1173P2]" 94.29 162 98.48 98.48 6.06e-68
GenBank AAK46148 "garA protein [Mycobacterium tuberculosis CDC1551]" 94.29 162 98.48 98.48 6.06e-68
GenBank ABQ73594 "hypothetical protein Cfp17 [Mycobacterium tuberculosis H37Ra]" 94.29 162 98.48 98.48 6.06e-68
GenBank ABR06192 "hypothetical protein cfp17 [Mycobacterium tuberculosis F11]" 94.29 162 98.48 98.48 6.06e-68
GenBank ACT25235 "hypothetical protein cfp17 [Mycobacterium tuberculosis KZN 1435]" 94.29 162 98.48 98.48 6.06e-68
GenBank EAY60077 "hypothetical protein cfp17 [Mycobacterium tuberculosis C]" 94.29 162 98.48 98.48 6.06e-68
REF NP_216343 "hypothetical protein Rv1827 [Mycobacterium tuberculosis H37Rv]" 94.29 162 98.48 98.48 6.06e-68
REF NP_336334 "garA protein [Mycobacterium tuberculosis CDC1551]" 94.29 162 98.48 98.48 6.06e-68
REF NP_855510 "hypothetical protein Mb1858 [Mycobacterium bovis AF2122/97]" 94.29 162 98.48 98.48 6.06e-68
REF YP_001283156 "hypothetical protein MRA_1839 [Mycobacterium tuberculosis H37Ra]" 94.29 162 98.48 98.48 6.06e-68
REF YP_001287794 "hypothetical protein TBFG_11857 [Mycobacterium tuberculosis F11]" 94.29 162 98.48 98.48 6.06e-68
SWISS-PROT P64897 "RecName: Full=Uncharacterized protein Rv1827/MT1875" 94.29 162 98.48 98.48 6.06e-68
SWISS-PROT P64898 "RecName: Full=Uncharacterized protein Mb1858" 94.29 162 98.48 98.48 6.06e-68
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
_Details
$entity 'Mycobacterium Bovis' 1765 Bacteria . Mycobacterium Bovis MB1858 residues(24-155)
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
$entity 'recombinant technology' . Escherichia coli 'BL21(DE3) pMGK' 'pET 21-23C'
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_NC_sample
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 1.1 mM '[U-100% 13C; U-100% 15N]'
MES 20 mM 'natural abundance'
'sodium chloride' 200 mM 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
DTT 10 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_NC5_sample
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 1.1 mM 'natural abundance'
MES 20 mM 'natural abundance'
'sodium chloride' 200 mM 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
DTT 10 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_NC_sample_in_D2O
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 1.1 mM '[U-100% 13C; U-100% 15N]'
MES 20 mM 'natural abundance'
'sodium chloride' 200 mM 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
DTT 10 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2008
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 2.1.3
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_AutoStructure
_Saveframe_category software
_Name AutoStructure
_Version 2.2.1
loop_
_Vendor
_Address
_Electronic_address
'Huang, Tejero, Powers and Montelione' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_X-PLOR_NIH
_Saveframe_category software
_Name X-PLOR_NIH
_Version 2.20
loop_
_Vendor
_Address
_Electronic_address
'Schwieters, Kuszewski, Tjandra and Clore' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.2
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
stop_
_Details 'water refinement'
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version 3.113
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_PSVS
_Saveframe_category software
_Name PSVS
_Version 1.3
loop_
_Vendor
_Address
_Electronic_address
'Bhattacharya and Montelione' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_AutoAssign
_Saveframe_category software
_Name AutoAssign
_Version 2.30
loop_
_Vendor
_Address
_Electronic_address
'Zimmerman, Moseley, Kulikowski and Montelione' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_PDBSTAT
_Saveframe_category software
_Name PDBSTAT
_Version 5.1
loop_
_Vendor
_Address
_Electronic_address
'(PdbStat)-Roberto Tejero and Gaetano T. Montelione' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AvanceIII
_Field_strength 850
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $NC_sample
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $NC_sample
save_
save_2D_1H-13C_HSQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $NC5_sample
save_
save_3D_1H-15N_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $NC_sample
save_
save_3D_1H-13C_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $NC_sample
save_
save_3D_HNCO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $NC_sample
save_
save_3D_HNCA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $NC_sample
save_
save_3D_HNCACB_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $NC_sample
save_
save_3D_CBCA(CO)NH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $NC_sample
save_
save_3D_HN(CO)CA_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $NC_sample
save_
save_3D_HBHA(CO)NH_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $NC_sample
save_
save_3D_H(CCO)NH_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $NC_sample
save_
save_3D_C(CO)NH_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $NC_sample
save_
save_3D_HCCH-TOCSY_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $NC_sample
save_
save_3D_HCCH-COSY_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY'
_Sample_label $NC_sample
save_
save_3D_(H)CCH-TOCSY_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D (H)CCH-TOCSY'
_Sample_label $NC_sample_in_D2O
save_
save_4D_CC_NOESY_17
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D CC NOESY'
_Sample_label $NC_sample_in_D2O
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
temperature 293 1 K
pH 6.5 0.1 pH
pressure 1 . atm
'ionic strength' 0.2 0.02 M
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530
DSS N 15 'methyl protons' ppm 0.00 n/a indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$SPARKY
stop_
loop_
_Sample_label
$NC_sample
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name entity
_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 24 1 VAL H H 7.84 0.02 1
2 24 1 VAL HA H 3.73 0.02 1
3 24 1 VAL HB H 2.14 0.02 1
4 24 1 VAL HG1 H 0.96 0.02 2
5 24 1 VAL HG2 H 0.96 0.02 2
6 24 1 VAL C C 173.9 0.2 1
7 24 1 VAL CA C 61.3 0.2 1
8 24 1 VAL CB C 33.1 0.2 1
9 24 1 VAL CG1 C 20.5 0.2 2
10 24 1 VAL CG2 C 19.7 0.2 2
11 25 2 PHE H H 8.64 0.02 1
12 25 2 PHE HA H 4.63 0.02 1
13 25 2 PHE HB2 H 3.09 0.02 2
14 25 2 PHE HB3 H 3.00 0.02 2
15 25 2 PHE HD1 H 7.26 0.02 3
16 25 2 PHE HD2 H 7.26 0.02 3
17 25 2 PHE HE1 H 7.21 0.02 3
18 25 2 PHE HE2 H 7.21 0.02 3
19 25 2 PHE HZ H 6.56 0.02 1
20 25 2 PHE C C 175 0.2 1
21 25 2 PHE CA C 58 0.2 1
22 25 2 PHE CB C 39.7 0.2 1
23 25 2 PHE CD1 C 131.5 0.2 3
24 25 2 PHE CD2 C 131.5 0.2 3
25 25 2 PHE CE1 C 130.8 0.2 3
26 25 2 PHE CE2 C 130.8 0.2 3
27 26 3 ARG H H 8.21 0.02 1
28 26 3 ARG HA H 4.20 0.02 1
29 26 3 ARG HB2 H 1.72 0.02 2
30 26 3 ARG HB3 H 1.6 0.02 2
31 26 3 ARG HD2 H 3.09 0.02 2
32 26 3 ARG HD3 H 3.09 0.02 2
33 26 3 ARG HE H 7.3 0.02 1
34 26 3 ARG HG2 H 1.49 0.02 2
35 26 3 ARG HG3 H 1.49 0.02 2
36 26 3 ARG C C 175.1 0.2 1
37 26 3 ARG CA C 55.6 0.2 1
38 26 3 ARG CB C 31.3 0.2 1
39 26 3 ARG CD C 43.5 0.2 1
40 26 3 ARG CG C 27.1 0.2 1
41 26 3 ARG N N 125.0 0.2 1
42 26 3 ARG NE N 84.3 0.2 1
43 27 4 ALA H H 8.26 0.02 1
44 27 4 ALA HA H 4.09 0.02 1
45 27 4 ALA HB H 1.28 0.02 1
46 27 4 ALA C C 177.3 0.2 1
47 27 4 ALA CA C 52.8 0.2 1
48 27 4 ALA CB C 19.2 0.2 1
49 27 4 ALA N N 125.4 0.2 1
50 28 5 ASP H H 8.26 0.02 1
51 28 5 ASP HA H 4.47 0.02 1
52 28 5 ASP HB2 H 2.57 0.02 2
53 28 5 ASP HB3 H 2.57 0.02 2
54 28 5 ASP C C 176.2 0.2 1
55 28 5 ASP CA C 54.5 0.2 1
56 28 5 ASP CB C 40.7 0.2 1
57 28 5 ASP N N 118.2 0.2 1
58 29 6 PHE H H 7.93 0.02 1
59 29 6 PHE HA H 4.51 0.02 1
60 29 6 PHE HB2 H 3.07 0.02 2
61 29 6 PHE HB3 H 3.02 0.02 2
62 29 6 PHE HD1 H 7.16 0.02 3
63 29 6 PHE HD2 H 7.16 0.02 3
64 29 6 PHE HE1 H 7.21 0.02 3
65 29 6 PHE HE2 H 7.21 0.02 3
66 29 6 PHE HZ H 6.96 0.02 1
67 29 6 PHE C C 175.7 0.2 1
68 29 6 PHE CA C 58 0.2 1
69 29 6 PHE CB C 39.3 0.2 1
70 29 6 PHE CD1 C 131.9 0.2 3
71 29 6 PHE CD2 C 131.9 0.2 3
72 29 6 PHE CE1 C 129.8 0.2 3
73 29 6 PHE CE2 C 129.8 0.2 3
74 29 6 PHE CZ C 129.1 0.2 1
75 29 6 PHE N N 119.4 0.2 1
76 30 7 LEU H H 8 0.02 1
77 30 7 LEU HA H 4.21 0.02 1
78 30 7 LEU HB2 H 1.58 0.02 2
79 30 7 LEU HB3 H 1.50 0.02 2
80 30 7 LEU HD1 H 0.82 0.02 2
81 30 7 LEU HD2 H 0.82 0.02 2
82 30 7 LEU HG H 1.44 0.02 1
83 30 7 LEU C C 177.4 0.2 1
84 30 7 LEU CA C 55.4 0.2 1
85 30 7 LEU CB C 42.2 0.2 1
86 30 7 LEU CD1 C 25.1 0.2 2
87 30 7 LEU CD2 C 23.3 0.2 2
88 30 7 LEU CG C 27.0 0.2 1
89 30 7 LEU N N 122.1 0.2 1
90 31 8 SER H H 8.13 0.02 1
91 31 8 SER HA H 4.33 0.02 1
92 31 8 SER HB2 H 3.84 0.02 2
93 31 8 SER HB3 H 3.84 0.02 2
94 31 8 SER C C 174.9 0.2 1
95 31 8 SER CA C 58.8 0.2 1
96 31 8 SER CB C 63.8 0.2 1
97 31 8 SER N N 116 0.2 1
98 32 9 GLU H H 8.38 0.02 1
99 32 9 GLU HA H 4.24 0.02 1
100 32 9 GLU HB2 H 2.04 0.02 2
101 32 9 GLU HB3 H 1.91 0.02 2
102 32 9 GLU HG2 H 2.23 0.02 2
103 32 9 GLU HG3 H 2.23 0.02 2
104 32 9 GLU C C 176.6 0.2 1
105 32 9 GLU CA C 57 0.2 1
106 32 9 GLU CB C 30 0.2 1
107 32 9 GLU CG C 36.1 0.2 1
108 32 9 GLU N N 122.2 0.2 1
109 33 10 LEU H H 7.99 0.02 1
110 33 10 LEU HA H 4.22 0.02 1
111 33 10 LEU HB2 H 1.56 0.02 2
112 33 10 LEU HB3 H 1.56 0.02 2
113 33 10 LEU HD1 H 0.84 0.02 2
114 33 10 LEU HD2 H 0.79 0.02 2
115 33 10 LEU HG H 1.56 0.02 1
116 33 10 LEU C C 177.1 0.2 1
117 33 10 LEU CA C 55.5 0.2 1
118 33 10 LEU CB C 42.2 0.2 1
119 33 10 LEU CD1 C 25.2 0.2 2
120 33 10 LEU CD2 C 23.5 0.2 2
121 33 10 LEU CG C 26.9 0.2 1
122 33 10 LEU N N 121.2 0.2 1
123 34 11 ASP H H 8.09 0.02 1
124 34 11 ASP HA H 4.55 0.02 1
125 34 11 ASP HB2 H 2.66 0.02 2
126 34 11 ASP HB3 H 2.54 0.02 2
127 34 11 ASP C C 175.4 0.2 1
128 34 11 ASP CA C 54.2 0.2 1
129 34 11 ASP CB C 41.3 0.2 1
130 34 11 ASP N N 120 0.2 1
131 35 12 ALA H H 7.95 0.02 1
132 35 12 ALA HA H 4.51 0.02 1
133 35 12 ALA HB H 1.31 0.02 1
134 35 12 ALA CA C 50.8 0.2 1
135 35 12 ALA CB C 18.3 0.2 1
136 35 12 ALA N N 124.6 0.2 1
137 36 13 PRO HA H 4.36 0.02 1
138 36 13 PRO HB2 H 2.26 0.02 2
139 36 13 PRO HB3 H 1.86 0.02 2
140 36 13 PRO HD2 H 3.73 0.02 2
141 36 13 PRO HD3 H 3.59 0.02 2
142 36 13 PRO HG2 H 1.98 0.02 2
143 36 13 PRO HG3 H 1.98 0.02 2
144 36 13 PRO C C 176.9 0.2 1
145 36 13 PRO CA C 63.2 0.2 1
146 36 13 PRO CB C 32 0.2 1
147 36 13 PRO CD C 50.4 0.2 1
148 36 13 PRO CG C 27.5 0.2 1
149 37 14 ALA H H 8.39 0.02 1
150 37 14 ALA HA H 4.23 0.02 1
151 37 14 ALA HB H 1.36 0.02 1
152 37 14 ALA C C 177.9 0.2 1
153 37 14 ALA CA C 52.6 0.2 1
154 37 14 ALA CB C 19.3 0.2 1
155 37 14 ALA N N 123.9 0.2 1
156 38 15 GLN H H 8.33 0.02 1
157 38 15 GLN HA H 4.28 0.02 1
158 38 15 GLN HB2 H 2.08 0.02 2
159 38 15 GLN HB3 H 1.96 0.02 2
160 38 15 GLN HE21 H 7.43 0.02 2
161 38 15 GLN HE22 H 6.43 0.02 2
162 38 15 GLN HG2 H 2.35 0.02 2
163 38 15 GLN HG3 H 2.35 0.02 2
164 38 15 GLN C C 175.8 0.2 1
165 38 15 GLN CA C 55.7 0.2 1
166 38 15 GLN CB C 29.6 0.2 1
167 38 15 GLN CD C 179.5 0.2 1
168 38 15 GLN CG C 33.7 0.2 1
169 38 15 GLN N N 119.3 0.2 1
170 38 15 GLN NE2 N 110.5 0.2 1
171 39 16 ALA H H 8.41 0.02 1
172 39 16 ALA HA H 4.07 0.02 1
173 39 16 ALA HB H 1.37 0.02 1
174 39 16 ALA C C 178.2 0.2 1
175 39 16 ALA CA C 52.8 0.2 1
176 39 16 ALA CB C 19.3 0.2 1
177 39 16 ALA N N 125.6 0.2 1
178 40 17 GLY H H 8.51 0.02 1
179 40 17 GLY HA2 H 4.01 0.02 2
180 40 17 GLY HA3 H 4.01 0.02 2
181 40 17 GLY C C 174.6 0.2 1
182 40 17 GLY CA C 45.4 0.2 1
183 40 17 GLY N N 108.5 0.2 1
184 41 18 THR H H 8.02 0.02 1
185 41 18 THR HA H 4.32 0.02 1
186 41 18 THR HB H 4.25 0.02 1
187 41 18 THR HG2 H 1.16 0.02 1
188 41 18 THR C C 174.9 0.2 1
189 41 18 THR CA C 62.1 0.2 1
190 41 18 THR CB C 69.9 0.2 1
191 41 18 THR CG2 C 21.6 0.2 1
192 41 18 THR N N 112.9 0.2 1
193 42 19 GLU H H 8.63 0.02 1
194 42 19 GLU HA H 4.3 0.02 1
195 42 19 GLU HB2 H 2.04 0.02 2
196 42 19 GLU HB3 H 1.94 0.02 2
197 42 19 GLU HG2 H 2.24 0.02 2
198 42 19 GLU HG3 H 2.24 0.02 2
199 42 19 GLU C C 176.6 0.2 1
200 42 19 GLU CA C 56.9 0.2 1
201 42 19 GLU CB C 30 0.2 1
202 42 19 GLU CG C 36.2 0.2 1
203 42 19 GLU N N 123.0 0.2 1
204 43 20 SER H H 8.33 0.02 1
205 43 20 SER HA H 4.40 0.02 1
206 43 20 SER HB2 H 3.82 0.02 2
207 43 20 SER HB3 H 3.82 0.02 2
208 43 20 SER C C 174.3 0.2 1
209 43 20 SER CA C 58.5 0.2 1
210 43 20 SER CB C 63.9 0.2 1
211 43 20 SER N N 116.6 0.2 1
212 44 21 ALA H H 8.32 0.02 1
213 44 21 ALA HA H 4.3 0.02 1
214 44 21 ALA HB H 1.36 0.02 1
215 44 21 ALA C C 177.7 0.2 1
216 44 21 ALA CA C 52.7 0.2 1
217 44 21 ALA CB C 19.3 0.2 1
218 44 21 ALA N N 126 0.2 1
219 45 22 VAL H H 8.04 0.02 1
220 45 22 VAL HA H 4.1 0.02 1
221 45 22 VAL HB H 2.05 0.02 1
222 45 22 VAL HG1 H 0.87 0.02 2
223 45 22 VAL HG2 H 0.88 0.02 2
224 45 22 VAL C C 176.1 0.2 1
225 45 22 VAL CA C 62.3 0.2 1
226 45 22 VAL CB C 32.7 0.2 1
227 45 22 VAL CG1 C 21.3 0.2 2
228 45 22 VAL CG2 C 20.6 0.2 2
229 45 22 VAL N N 118.1 0.2 1
230 46 23 SER H H 8.37 0.02 1
231 46 23 SER HA H 4.41 0.02 1
232 46 23 SER HB2 H 3.83 0.02 2
233 46 23 SER HB3 H 3.83 0.02 2
234 46 23 SER C C 174.9 0.2 1
235 46 23 SER CA C 58.5 0.2 1
236 46 23 SER CB C 63.9 0.2 1
237 46 23 SER N N 119.1 0.2 1
238 47 24 GLY H H 8.37 0.02 1
239 47 24 GLY HA2 H 3.95 0.02 2
240 47 24 GLY HA3 H 3.95 0.02 2
241 47 24 GLY C C 174.2 0.2 1
242 47 24 GLY CA C 45.4 0.2 1
243 47 24 GLY N N 110.5 0.2 1
244 48 25 VAL H H 7.98 0.02 1
245 48 25 VAL HA H 4.04 0.02 1
246 48 25 VAL HB H 1.99 0.02 1
247 48 25 VAL HG1 H 0.79 0.02 2
248 48 25 VAL HG2 H 0.79 0.02 2
249 48 25 VAL C C 176.1 0.2 1
250 48 25 VAL CA C 62.2 0.2 1
251 48 25 VAL CB C 32.5 0.2 1
252 48 25 VAL CG1 C 21.4 0.2 2
253 48 25 VAL CG2 C 20.7 0.2 2
254 48 25 VAL N N 118.1 0.2 1
255 49 26 GLU H H 8.58 0.02 1
256 49 26 GLU HA H 4.16 0.02 1
257 49 26 GLU HB2 H 1.93 0.02 2
258 49 26 GLU HB3 H 1.93 0.02 2
259 49 26 GLU HG2 H 2.23 0.02 2
260 49 26 GLU HG3 H 2.23 0.02 2
261 49 26 GLU C C 176.9 0.2 1
262 49 26 GLU CA C 57.4 0.2 1
263 49 26 GLU CB C 29.8 0.2 1
264 49 26 GLU CG C 36 0.2 1
265 49 26 GLU N N 123.9 0.2 1
266 50 27 GLY H H 8.33 0.02 1
267 50 27 GLY HA2 H 3.89 0.02 2
268 50 27 GLY HA3 H 3.83 0.02 2
269 50 27 GLY C C 173.8 0.2 1
270 50 27 GLY CA C 45.2 0.2 1
271 50 27 GLY N N 109.5 0.2 1
272 51 28 LEU H H 7.77 0.02 1
273 51 28 LEU HA H 4.47 0.02 1
274 51 28 LEU HB2 H 1.44 0.02 2
275 51 28 LEU HB3 H 1.44 0.02 2
276 51 28 LEU HD1 H 0.64 0.02 2
277 51 28 LEU HD2 H 0.8 0.02 2
278 51 28 LEU HG H 1.52 0.02 1
279 51 28 LEU CA C 52.8 0.2 1
280 51 28 LEU CB C 42.2 0.2 1
281 51 28 LEU CD1 C 25.3 0.2 2
282 51 28 LEU CD2 C 23.5 0.2 2
283 51 28 LEU CG C 26.9 0.2 1
284 51 28 LEU N N 123.0 0.2 1
285 52 29 PRO HA H 4.66 0.02 1
286 52 29 PRO HB2 H 2.33 0.02 2
287 52 29 PRO HB3 H 1.84 0.02 2
288 52 29 PRO HD2 H 3.92 0.02 2
289 52 29 PRO HD3 H 3.42 0.02 2
290 52 29 PRO HG2 H 1.96 0.02 2
291 52 29 PRO HG3 H 1.96 0.02 2
292 52 29 PRO CA C 61.6 0.2 1
293 52 29 PRO CB C 30.8 0.2 1
294 52 29 PRO CD C 50.7 0.2 1
295 52 29 PRO CG C 27.4 0.2 1
296 53 30 PRO HA H 4.34 0.02 1
297 53 30 PRO HB2 H 2.24 0.02 2
298 53 30 PRO HB3 H 1.85 0.02 2
299 53 30 PRO HD2 H 3.77 0.02 2
300 53 30 PRO HD3 H 3.58 0.02 2
301 53 30 PRO HG2 H 2.05 0.02 2
302 53 30 PRO HG3 H 1.97 0.02 2
303 53 30 PRO C C 177.5 0.2 1
304 53 30 PRO CA C 63.5 0.2 1
305 53 30 PRO CB C 32 0.2 1
306 53 30 PRO CD C 50.4 0.2 1
307 53 30 PRO CG C 27.6 0.2 1
308 54 31 GLY H H 8.69 0.02 1
309 54 31 GLY HA2 H 4.06 0.02 2
310 54 31 GLY HA3 H 3.66 0.02 2
311 54 31 GLY C C 172.9 0.2 1
312 54 31 GLY CA C 45.4 0.2 1
313 54 31 GLY N N 110.1 0.2 1
314 55 32 LEU H H 7.51 0.02 1
315 55 32 LEU HA H 4.96 0.02 1
316 55 32 LEU HB2 H 1.58 0.02 2
317 55 32 LEU HB3 H 1.50 0.02 2
318 55 32 LEU HD1 H 0.87 0.02 2
319 55 32 LEU HD2 H 0.9 0.02 2
320 55 32 LEU HG H 1.59 0.02 1
321 55 32 LEU C C 175.4 0.2 1
322 55 32 LEU CA C 54.1 0.2 1
323 55 32 LEU CB C 44.4 0.2 1
324 55 32 LEU CD1 C 25 0.2 2
325 55 32 LEU CD2 C 24.4 0.2 2
326 55 32 LEU CG C 27.7 0.2 1
327 55 32 LEU N N 119.3 0.2 1
328 56 33 ALA H H 7.84 0.02 1
329 56 33 ALA HA H 4.50 0.02 1
330 56 33 ALA HB H 1.5 0.02 1
331 56 33 ALA C C 178.2 0.2 1
332 56 33 ALA CA C 51.1 0.2 1
333 56 33 ALA CB C 23.9 0.2 1
334 56 33 ALA N N 121.8 0.2 1
335 57 34 LEU H H 8.64 0.02 1
336 57 34 LEU HA H 4.93 0.02 1
337 57 34 LEU HB2 H 1.36 0.02 2
338 57 34 LEU HB3 H 1.22 0.02 2
339 57 34 LEU HD1 H 0.53 0.02 2
340 57 34 LEU HD2 H 0.63 0.02 2
341 57 34 LEU HG H 1.33 0.02 1
342 57 34 LEU C C 174.4 0.2 1
343 57 34 LEU CA C 53.4 0.2 1
344 57 34 LEU CB C 47.3 0.2 1
345 57 34 LEU CD1 C 25.6 0.2 2
346 57 34 LEU CD2 C 25.7 0.2 2
347 57 34 LEU CG C 26.5 0.2 1
348 57 34 LEU N N 119.2 0.2 1
349 58 35 LEU H H 8.64 0.02 1
350 58 35 LEU HA H 5.44 0.02 1
351 58 35 LEU HB2 H 1.61 0.02 2
352 58 35 LEU HB3 H 1.16 0.02 2
353 58 35 LEU HD1 H -0.12 0.02 2
354 58 35 LEU HD2 H 0.65 0.02 2
355 58 35 LEU HG H 1.25 0.02 1
356 58 35 LEU C C 176.2 0.2 1
357 58 35 LEU CA C 52.6 0.2 1
358 58 35 LEU CB C 46 0.2 1
359 58 35 LEU CD1 C 26.4 0.2 2
360 58 35 LEU CD2 C 24.2 0.2 2
361 58 35 LEU CG C 26.4 0.2 1
362 58 35 LEU N N 119.4 0.2 1
363 59 36 VAL H H 8.96 0.02 1
364 59 36 VAL HA H 4.86 0.02 1
365 59 36 VAL HB H 1.81 0.02 1
366 59 36 VAL HG1 H 0.76 0.02 2
367 59 36 VAL HG2 H 0.76 0.02 2
368 59 36 VAL C C 176.4 0.2 1
369 59 36 VAL CA C 59.9 0.2 1
370 59 36 VAL CB C 34.6 0.2 1
371 59 36 VAL CG1 C 20.9 0.2 2
372 59 36 VAL CG2 C 21.6 0.2 2
373 59 36 VAL N N 120.7 0.2 1
374 60 37 VAL H H 8.83 0.02 1
375 60 37 VAL HA H 4.17 0.02 1
376 60 37 VAL HB H 2.16 0.02 1
377 60 37 VAL HG1 H 0.98 0.02 2
378 60 37 VAL HG2 H 0.96 0.02 2
379 60 37 VAL C C 176 0.2 1
380 60 37 VAL CA C 63.9 0.2 1
381 60 37 VAL CB C 31.4 0.2 1
382 60 37 VAL CG1 C 21.6 0.2 2
383 60 37 VAL CG2 C 21.1 0.2 2
384 60 37 VAL N N 125.7 0.2 1
385 61 38 LYS H H 9.4 0.02 1
386 61 38 LYS HA H 4.45 0.02 1
387 61 38 LYS HB2 H 1.71 0.02 2
388 61 38 LYS HB3 H 1.71 0.02 2
389 61 38 LYS HD2 H 1.6 0.02 2
390 61 38 LYS HD3 H 1.6 0.02 2
391 61 38 LYS HE2 H 2.89 0.02 2
392 61 38 LYS HE3 H 2.89 0.02 2
393 61 38 LYS HG2 H 1.51 0.02 2
394 61 38 LYS HG3 H 1.36 0.02 2
395 61 38 LYS C C 176 0.2 1
396 61 38 LYS CA C 56.9 0.2 1
397 61 38 LYS CB C 34.2 0.2 1
398 61 38 LYS CD C 29.0 0.2 1
399 61 38 LYS CE C 41.4 0.2 1
400 61 38 LYS CG C 24.9 0.2 1
401 61 38 LYS N N 131.9 0.2 1
402 62 39 ARG H H 7.99 0.02 1
403 62 39 ARG HA H 4.7 0.02 1
404 62 39 ARG HB2 H 1.81 0.02 2
405 62 39 ARG HB3 H 1.72 0.02 2
406 62 39 ARG HD2 H 3.2 0.02 2
407 62 39 ARG HD3 H 3.12 0.02 2
408 62 39 ARG HE H 7.4 0.02 1
409 62 39 ARG HG2 H 1.64 0.02 2
410 62 39 ARG HG3 H 1.54 0.02 2
411 62 39 ARG C C 173.6 0.2 1
412 62 39 ARG CA C 55.1 0.2 1
413 62 39 ARG CB C 34.1 0.2 1
414 62 39 ARG CD C 43.4 0.2 1
415 62 39 ARG CG C 27 0.2 1
416 62 39 ARG N N 117.3 0.2 1
417 62 39 ARG NE N 84.7 0.2 1
418 63 40 GLY H H 8.48 0.02 1
419 63 40 GLY HA2 H 4.29 0.02 2
420 63 40 GLY HA3 H 3.58 0.02 2
421 63 40 GLY CA C 43.8 0.2 1
422 63 40 GLY N N 110.8 0.2 1
423 64 41 PRO HA H 4.3 0.02 1
424 64 41 PRO HB2 H 2.30 0.02 2
425 64 41 PRO HB3 H 1.95 0.02 2
426 64 41 PRO HD2 H 3.10 0.02 2
427 64 41 PRO HD3 H 2.84 0.02 2
428 64 41 PRO HG2 H 1.88 0.02 2
429 64 41 PRO HG3 H 1.44 0.02 2
430 64 41 PRO C C 175.9 0.2 1
431 64 41 PRO CA C 64.4 0.2 1
432 64 41 PRO CB C 31.5 0.2 1
433 64 41 PRO CD C 48.8 0.2 1
434 64 41 PRO CG C 27.3 0.2 1
435 65 42 ASN H H 8.31 0.02 1
436 65 42 ASN HA H 4.77 0.02 1
437 65 42 ASN HB2 H 3.14 0.02 2
438 65 42 ASN HB3 H 2.86 0.02 2
439 65 42 ASN HD21 H 7.82 0.02 2
440 65 42 ASN HD22 H 5.76 0.02 2
441 65 42 ASN C C 177.5 0.2 1
442 65 42 ASN CA C 52.1 0.2 1
443 65 42 ASN CB C 36.7 0.2 1
444 65 42 ASN CG C 179.5 0.2 1
445 65 42 ASN N N 114.5 0.2 1
446 65 42 ASN ND2 N 106.4 0.2 1
447 66 43 ALA H H 7.47 0.02 1
448 66 43 ALA HA H 3.69 0.02 1
449 66 43 ALA HB H 1.35 0.02 1
450 66 43 ALA C C 177.8 0.2 1
451 66 43 ALA CA C 54.2 0.2 1
452 66 43 ALA CB C 17.7 0.2 1
453 66 43 ALA N N 122.1 0.2 1
454 67 44 GLY H H 9.12 0.02 1
455 67 44 GLY HA2 H 4.44 0.02 2
456 67 44 GLY HA3 H 3.49 0.02 2
457 67 44 GLY C C 174.9 0.2 1
458 67 44 GLY CA C 44.6 0.2 1
459 67 44 GLY N N 111.8 0.2 1
460 68 45 SER H H 8.09 0.02 1
461 68 45 SER HA H 4.28 0.02 1
462 68 45 SER HB2 H 3.76 0.02 2
463 68 45 SER HB3 H 3.58 0.02 2
464 68 45 SER C C 171.5 0.2 1
465 68 45 SER CA C 60.5 0.2 1
466 68 45 SER CB C 63.8 0.2 1
467 68 45 SER N N 117.4 0.2 1
468 69 46 ARG H H 8.12 0.02 1
469 69 46 ARG HA H 5.14 0.02 1
470 69 46 ARG HB2 H 1.55 0.02 2
471 69 46 ARG HB3 H 1.55 0.02 2
472 69 46 ARG HD2 H 3.08 0.02 2
473 69 46 ARG HD3 H 3.03 0.02 2
474 69 46 ARG HE H 7.26 0.02 1
475 69 46 ARG HG2 H 1.59 0.02 2
476 69 46 ARG HG3 H 1.42 0.02 2
477 69 46 ARG C C 174.6 0.2 1
478 69 46 ARG CA C 54.2 0.2 1
479 69 46 ARG CB C 33.9 0.2 1
480 69 46 ARG CD C 43.8 0.2 1
481 69 46 ARG CG C 27.1 0.2 1
482 69 46 ARG N N 119.8 0.2 1
483 69 46 ARG NE N 84 0.2 1
484 70 47 PHE H H 9.18 0.02 1
485 70 47 PHE HA H 4.72 0.02 1
486 70 47 PHE HB2 H 2.92 0.02 2
487 70 47 PHE HB3 H 2.53 0.02 2
488 70 47 PHE HD1 H 7.05 0.02 3
489 70 47 PHE HD2 H 7.05 0.02 3
490 70 47 PHE HE1 H 7.13 0.02 3
491 70 47 PHE HE2 H 7.13 0.02 3
492 70 47 PHE HZ H 6.87 0.02 1
493 70 47 PHE C C 173.9 0.2 1
494 70 47 PHE CA C 56.4 0.2 1
495 70 47 PHE CB C 41.5 0.2 1
496 70 47 PHE CD1 C 132.4 0.2 3
497 70 47 PHE CD2 C 132.4 0.2 3
498 70 47 PHE CE1 C 130.9 0.2 3
499 70 47 PHE CE2 C 130.9 0.2 3
500 70 47 PHE CZ C 128.7 0.2 1
501 70 47 PHE N N 120.8 0.2 1
502 71 48 LEU H H 8.72 0.02 1
503 71 48 LEU HA H 4.45 0.02 1
504 71 48 LEU HB2 H 1.64 0.02 2
505 71 48 LEU HB3 H 1.44 0.02 2
506 71 48 LEU HD1 H 0.85 0.02 2
507 71 48 LEU HD2 H 0.85 0.02 2
508 71 48 LEU HG H 1.44 0.02 1
509 71 48 LEU C C 176.3 0.2 1
510 71 48 LEU CA C 54.9 0.2 1
511 71 48 LEU CB C 43.2 0.2 1
512 71 48 LEU CD1 C 24.2 0.2 2
513 71 48 LEU CD2 C 25.3 0.2 2
514 71 48 LEU CG C 27.6 0.2 1
515 71 48 LEU N N 125.3 0.2 1
516 72 49 LEU H H 8.73 0.02 1
517 72 49 LEU HA H 4.77 0.02 1
518 72 49 LEU HB2 H 1.27 0.02 2
519 72 49 LEU HB3 H 1.27 0.02 2
520 72 49 LEU HD1 H 0.3 0.02 2
521 72 49 LEU HD2 H 0.56 0.02 2
522 72 49 LEU HG H 1.22 0.02 1
523 72 49 LEU C C 174.8 0.2 1
524 72 49 LEU CA C 53.2 0.2 1
525 72 49 LEU CB C 40.9 0.2 1
526 72 49 LEU CD1 C 25 0.2 2
527 72 49 LEU CD2 C 23.2 0.2 2
528 72 49 LEU CG C 26.5 0.2 1
529 72 49 LEU N N 126.9 0.2 1
530 73 50 ASP H H 8.35 0.02 1
531 73 50 ASP HA H 4.79 0.02 1
532 73 50 ASP HB2 H 2.89 0.02 2
533 73 50 ASP HB3 H 2.37 0.02 2
534 73 50 ASP C C 175.6 0.2 1
535 73 50 ASP CA C 53 0.2 1
536 73 50 ASP CB C 41.4 0.2 1
537 73 50 ASP N N 120.4 0.2 1
538 74 51 GLN H H 7.67 0.02 1
539 74 51 GLN HA H 4.66 0.02 1
540 74 51 GLN HB2 H 2.28 0.02 2
541 74 51 GLN HB3 H 1.97 0.02 2
542 74 51 GLN HE21 H 7.76 0.02 2
543 74 51 GLN HE22 H 6.84 0.02 2
544 74 51 GLN HG2 H 2.45 0.02 2
545 74 51 GLN HG3 H 2.4 0.02 2
546 74 51 GLN C C 175.4 0.2 1
547 74 51 GLN CA C 53.7 0.2 1
548 74 51 GLN CB C 31.3 0.2 1
549 74 51 GLN CD C 181.1 0.2 1
550 74 51 GLN CG C 33.1 0.2 1
551 74 51 GLN N N 116.2 0.2 1
552 74 51 GLN NE2 N 113.6 0.2 1
553 75 52 ALA H H 8.72 0.02 1
554 75 52 ALA HA H 4.17 0.02 1
555 75 52 ALA HB H 1.54 0.02 1
556 75 52 ALA C C 178.3 0.2 1
557 75 52 ALA CA C 55.7 0.2 1
558 75 52 ALA CB C 18.5 0.2 1
559 75 52 ALA N N 123.2 0.2 1
560 76 53 ILE H H 8.03 0.02 1
561 76 53 ILE HA H 4.65 0.02 1
562 76 53 ILE HB H 1.79 0.02 1
563 76 53 ILE HD1 H 0.84 0.02 1
564 76 53 ILE HG12 H 1.53 0.02 2
565 76 53 ILE HG13 H 0.99 0.02 2
566 76 53 ILE HG2 H 0.73 0.02 1
567 76 53 ILE C C 175.1 0.2 1
568 76 53 ILE CA C 61.1 0.2 1
569 76 53 ILE CB C 40.5 0.2 1
570 76 53 ILE CD1 C 12.9 0.2 1
571 76 53 ILE CG1 C 27.6 0.2 1
572 76 53 ILE CG2 C 17.3 0.2 1
573 76 53 ILE N N 115.4 0.2 1
574 77 54 THR H H 8.84 0.02 1
575 77 54 THR HA H 4.94 0.02 1
576 77 54 THR HB H 4.16 0.02 1
577 77 54 THR HG2 H 1.21 0.02 1
578 77 54 THR C C 174.6 0.2 1
579 77 54 THR CA C 61.4 0.2 1
580 77 54 THR CB C 70.3 0.2 1
581 77 54 THR CG2 C 22.3 0.2 1
582 77 54 THR N N 125.3 0.2 1
583 78 55 SER H H 10.69 0.02 1
584 78 55 SER HA H 4.72 0.02 1
585 78 55 SER HB2 H 4.31 0.02 2
586 78 55 SER HB3 H 4.01 0.02 2
587 78 55 SER C C 172.6 0.2 1
588 78 55 SER CA C 57.8 0.2 1
589 78 55 SER CB C 65.2 0.2 1
590 78 55 SER N N 126.3 0.2 1
591 79 56 ALA H H 8.84 0.02 1
592 79 56 ALA HA H 5.72 0.02 1
593 79 56 ALA HB H 1.17 0.02 1
594 79 56 ALA C C 175.8 0.2 1
595 79 56 ALA CA C 49.8 0.2 1
596 79 56 ALA CB C 21.9 0.2 1
597 79 56 ALA N N 123.2 0.2 1
598 80 57 GLY H H 8.41 0.02 1
599 80 57 GLY HA2 H 4.40 0.02 2
600 80 57 GLY HA3 H 3.97 0.02 2
601 80 57 GLY C C 174.8 0.2 1
602 80 57 GLY CA C 46.3 0.2 1
603 80 57 GLY N N 108.7 0.2 1
604 81 58 ARG H H 8.33 0.02 1
605 81 58 ARG HA H 4.44 0.02 1
606 81 58 ARG HB2 H 1.75 0.02 2
607 81 58 ARG HB3 H 1.57 0.02 2
608 81 58 ARG HD2 H 3.27 0.02 2
609 81 58 ARG HD3 H 2.92 0.02 2
610 81 58 ARG HG2 H 1.91 0.02 2
611 81 58 ARG HG3 H 1.58 0.02 2
612 81 58 ARG C C 176.4 0.2 1
613 81 58 ARG CA C 54.7 0.2 1
614 81 58 ARG CB C 32.3 0.2 1
615 81 58 ARG CD C 43.2 0.2 1
616 81 58 ARG CG C 29.4 0.2 1
617 81 58 ARG N N 120.4 0.2 1
618 82 59 HIS H H 9.04 0.02 1
619 82 59 HIS HA H 4.28 0.02 1
620 82 59 HIS HB2 H 3.09 0.02 2
621 82 59 HIS HB3 H 2.86 0.02 2
622 82 59 HIS HD2 H 6.89 0.02 1
623 82 59 HIS HE1 H 7.72 0.02 1
624 82 59 HIS CA C 56.8 0.2 1
625 82 59 HIS CB C 30.9 0.2 1
626 82 59 HIS CE1 C 139.2 0.2 1
627 82 59 HIS N N 124.3 0.2 1
628 82 59 HIS ND1 N 250.5 0.2 1
629 82 59 HIS NE2 N 165 0.2 1
630 83 60 PRO HA H 3.64 0.02 1
631 83 60 PRO HB2 H 1.96 0.02 2
632 83 60 PRO HB3 H 1.73 0.02 2
633 83 60 PRO HD2 H 3.52 0.02 2
634 83 60 PRO HD3 H 2.48 0.02 2
635 83 60 PRO HG2 H 1.79 0.02 2
636 83 60 PRO HG3 H 1.72 0.02 2
637 83 60 PRO C C 177 0.2 1
638 83 60 PRO CA C 64.8 0.2 1
639 83 60 PRO CB C 31.7 0.2 1
640 83 60 PRO CD C 50.7 0.2 1
641 83 60 PRO CG C 27.1 0.2 1
642 84 61 ASP H H 11.14 0.02 1
643 84 61 ASP HA H 4.7 0.02 1
644 84 61 ASP HB2 H 2.79 0.02 2
645 84 61 ASP HB3 H 2.68 0.02 2
646 84 61 ASP C C 177.4 0.2 1
647 84 61 ASP CA C 53.9 0.2 1
648 84 61 ASP CB C 40.5 0.2 1
649 84 61 ASP N N 121.6 0.2 1
650 85 62 SER H H 8.19 0.02 1
651 85 62 SER HA H 4.03 0.02 1
652 85 62 SER HB2 H 3.57 0.02 2
653 85 62 SER HB3 H 3.57 0.02 2
654 85 62 SER HG H 6.13 0.02 1
655 85 62 SER C C 173.4 0.2 1
656 85 62 SER CA C 60.4 0.2 1
657 85 62 SER CB C 65.2 0.2 1
658 85 62 SER N N 118.1 0.2 1
659 86 63 ASP H H 8.27 0.02 1
660 86 63 ASP HA H 4.39 0.02 1
661 86 63 ASP HB2 H 3.23 0.02 2
662 86 63 ASP HB3 H 2.78 0.02 2
663 86 63 ASP C C 177.2 0.2 1
664 86 63 ASP CA C 58.3 0.2 1
665 86 63 ASP CB C 42.1 0.2 1
666 86 63 ASP N N 125.6 0.2 1
667 87 64 ILE H H 8.47 0.02 1
668 87 64 ILE HA H 3.56 0.02 1
669 87 64 ILE HB H 1.48 0.02 1
670 87 64 ILE HD1 H 0.24 0.02 1
671 87 64 ILE HG12 H 1.02 0.02 2
672 87 64 ILE HG13 H 0.23 0.02 2
673 87 64 ILE HG2 H -0.45 0.02 1
674 87 64 ILE C C 172.9 0.2 1
675 87 64 ILE CA C 60.5 0.2 1
676 87 64 ILE CB C 37.4 0.2 1
677 87 64 ILE CD1 C 14.9 0.2 1
678 87 64 ILE CG1 C 25.7 0.2 1
679 87 64 ILE CG2 C 14.3 0.2 1
680 87 64 ILE N N 119.5 0.2 1
681 88 65 PHE H H 8.1 0.02 1
682 88 65 PHE HA H 5.01 0.02 1
683 88 65 PHE HB2 H 3.06 0.02 2
684 88 65 PHE HB3 H 3 0.02 2
685 88 65 PHE HD1 H 7.2 0.02 3
686 88 65 PHE HD2 H 7.2 0.02 3
687 88 65 PHE HE1 H 7.06 0.02 3
688 88 65 PHE HE2 H 7.06 0.02 3
689 88 65 PHE HZ H 6.84 0.02 1
690 88 65 PHE C C 174.0 0.2 1
691 88 65 PHE CA C 55.6 0.2 1
692 88 65 PHE CB C 38.8 0.2 1
693 88 65 PHE CD1 C 131.9 0.2 3
694 88 65 PHE CD2 C 131.9 0.2 3
695 88 65 PHE CE1 C 129.3 0.2 3
696 88 65 PHE CE2 C 129.3 0.2 3
697 88 65 PHE N N 127.1 0.2 1
698 89 66 LEU H H 7.71 0.02 1
699 89 66 LEU HA H 3.62 0.02 1
700 89 66 LEU HB2 H 1.2 0.02 2
701 89 66 LEU HB3 H 1.2 0.02 2
702 89 66 LEU HD1 H 0.29 0.02 2
703 89 66 LEU HD2 H -0.27 0.02 2
704 89 66 LEU HG H 1.02 0.02 1
705 89 66 LEU C C 173.5 0.2 1
706 89 66 LEU CA C 52.1 0.2 1
707 89 66 LEU CB C 41.3 0.2 1
708 89 66 LEU CD1 C 25.9 0.2 2
709 89 66 LEU CD2 C 20.8 0.2 2
710 89 66 LEU CG C 24.6 0.2 1
711 89 66 LEU N N 131.9 0.2 1
712 90 67 ASP H H 7.98 0.02 1
713 90 67 ASP HA H 4.26 0.02 1
714 90 67 ASP HB2 H 2.67 0.02 2
715 90 67 ASP HB3 H 1.65 0.02 2
716 90 67 ASP C C 174.8 0.2 1
717 90 67 ASP CA C 53.1 0.2 1
718 90 67 ASP CB C 39.9 0.2 1
719 90 67 ASP N N 120.0 0.2 1
720 91 68 ASP H H 7.48 0.02 1
721 91 68 ASP HA H 4.85 0.02 1
722 91 68 ASP HB2 H 2.82 0.02 2
723 91 68 ASP HB3 H 2.38 0.02 2
724 91 68 ASP C C 175.6 0.2 1
725 91 68 ASP CA C 54.9 0.2 1
726 91 68 ASP CB C 48.5 0.2 1
727 91 68 ASP N N 121.4 0.2 1
728 92 69 VAL H H 8.37 0.02 1
729 92 69 VAL HA H 4.06 0.02 1
730 92 69 VAL HB H 2.24 0.02 1
731 92 69 VAL HG1 H 1.02 0.02 2
732 92 69 VAL HG2 H 1.02 0.02 2
733 92 69 VAL C C 175.9 0.2 1
734 92 69 VAL CA C 64.8 0.2 1
735 92 69 VAL CB C 31.7 0.2 1
736 92 69 VAL CG1 C 20.5 0.2 2
737 92 69 VAL CG2 C 20.3 0.2 2
738 92 69 VAL N N 121.9 0.2 1
739 93 70 THR H H 8.36 0.02 1
740 93 70 THR HA H 4.06 0.02 1
741 93 70 THR HB H 4.4 0.02 1
742 93 70 THR HG1 H 6.56 0.02 1
743 93 70 THR HG2 H 1.34 0.02 1
744 93 70 THR C C 175.1 0.2 1
745 93 70 THR CA C 63.7 0.2 1
746 93 70 THR CB C 70.3 0.2 1
747 93 70 THR CG2 C 22.7 0.2 1
748 93 70 THR N N 111.1 0.2 1
749 94 71 VAL H H 8.24 0.02 1
750 94 71 VAL HA H 4.52 0.02 1
751 94 71 VAL HB H 2.45 0.02 1
752 94 71 VAL HG1 H 1.15 0.02 2
753 94 71 VAL HG2 H 1.02 0.02 2
754 94 71 VAL C C 176.8 0.2 1
755 94 71 VAL CA C 61.2 0.2 1
756 94 71 VAL CB C 33.5 0.2 1
757 94 71 VAL CG1 C 21.1 0.2 2
758 94 71 VAL CG2 C 22.9 0.2 2
759 94 71 VAL N N 125.5 0.2 1
760 95 72 SER H H 11.41 0.02 1
761 95 72 SER HA H 4.67 0.02 1
762 95 72 SER HB2 H 3.46 0.02 2
763 95 72 SER HB3 H 3.46 0.02 2
764 95 72 SER C C 174.5 0.2 1
765 95 72 SER CA C 60.6 0.2 1
766 95 72 SER CB C 64.2 0.2 1
767 95 72 SER N N 126.8 0.2 1
768 96 73 ARG H H 9.26 0.02 1
769 96 73 ARG HA H 3.77 0.02 1
770 96 73 ARG HB2 H 2.01 0.02 2
771 96 73 ARG HB3 H 1.88 0.02 2
772 96 73 ARG HD2 H 3.29 0.02 2
773 96 73 ARG HD3 H 3.29 0.02 2
774 96 73 ARG HE H 7.32 0.02 1
775 96 73 ARG HG2 H 1.84 0.02 2
776 96 73 ARG HG3 H 1.57 0.02 2
777 96 73 ARG C C 176.6 0.2 1
778 96 73 ARG CA C 61.3 0.2 1
779 96 73 ARG CB C 29.8 0.2 1
780 96 73 ARG CD C 44.1 0.2 1
781 96 73 ARG CG C 29.0 0.2 1
782 96 73 ARG N N 124.6 0.2 1
783 96 73 ARG NE N 85.3 0.2 1
784 97 74 ARG H H 7.8 0.02 1
785 97 74 ARG HA H 4.44 0.02 1
786 97 74 ARG HB2 H 1.93 0.02 2
787 97 74 ARG HB3 H 1.85 0.02 2
788 97 74 ARG HD2 H 3.30 0.02 2
789 97 74 ARG HD3 H 2.90 0.02 2
790 97 74 ARG HE H 6.87 0.02 1
791 97 74 ARG HG2 H 1.64 0.02 2
792 97 74 ARG HG3 H 1.56 0.02 2
793 97 74 ARG C C 173.1 0.2 1
794 97 74 ARG CA C 54.8 0.2 1
795 97 74 ARG CB C 29.3 0.2 1
796 97 74 ARG CD C 43.7 0.2 1
797 97 74 ARG CG C 26.0 0.2 1
798 97 74 ARG N N 114.8 0.2 1
799 97 74 ARG NE N 83.7 0.2 1
800 98 75 HIS H H 7.84 0.02 1
801 98 75 HIS HA H 4.43 0.02 1
802 98 75 HIS HB2 H 3.27 0.02 2
803 98 75 HIS HB3 H 3.12 0.02 2
804 98 75 HIS HD1 H 11.1 0.02 1
805 98 75 HIS HD2 H 6.83 0.02 1
806 98 75 HIS HE1 H 8.02 0.02 1
807 98 75 HIS C C 173.8 0.2 1
808 98 75 HIS CA C 57.8 0.2 1
809 98 75 HIS CB C 35 0.2 1
810 98 75 HIS CD2 C 117 0.2 1
811 98 75 HIS CE1 C 137.8 0.2 1
812 98 75 HIS N N 124.4 0.2 1
813 98 75 HIS ND1 N 168.3 0.2 1
814 99 76 ALA H H 8.49 0.02 1
815 99 76 ALA HA H 5.58 0.02 1
816 99 76 ALA HB H 1.13 0.02 1
817 99 76 ALA C C 176.5 0.2 1
818 99 76 ALA CA C 50.3 0.2 1
819 99 76 ALA CB C 23.2 0.2 1
820 99 76 ALA N N 116.6 0.2 1
821 100 77 GLU H H 9.03 0.02 1
822 100 77 GLU HA H 5.03 0.02 1
823 100 77 GLU HB2 H 1.66 0.02 2
824 100 77 GLU HB3 H 1.58 0.02 2
825 100 77 GLU HG2 H 2.14 0.02 2
826 100 77 GLU HG3 H 2.01 0.02 2
827 100 77 GLU C C 174.1 0.2 1
828 100 77 GLU CA C 54.5 0.2 1
829 100 77 GLU CB C 34.9 0.2 1
830 100 77 GLU CG C 36.9 0.2 1
831 100 77 GLU N N 118.1 0.2 1
832 101 78 PHE H H 9.4 0.02 1
833 101 78 PHE HA H 5.4 0.02 1
834 101 78 PHE HB2 H 3.03 0.02 2
835 101 78 PHE HB3 H 2.76 0.02 2
836 101 78 PHE HD1 H 6.94 0.02 3
837 101 78 PHE HD2 H 6.94 0.02 3
838 101 78 PHE HE1 H 6.82 0.02 3
839 101 78 PHE HE2 H 6.82 0.02 3
840 101 78 PHE HZ H 7.15 0.02 1
841 101 78 PHE C C 176.5 0.2 1
842 101 78 PHE CA C 56.7 0.2 1
843 101 78 PHE CB C 41 0.2 1
844 101 78 PHE CD1 C 131.8 0.2 3
845 101 78 PHE CD2 C 131.8 0.2 3
846 101 78 PHE CE1 C 130.2 0.2 3
847 101 78 PHE CE2 C 130.2 0.2 3
848 101 78 PHE N N 119.6 0.2 1
849 102 79 ARG H H 9.72 0.02 1
850 102 79 ARG HA H 5.49 0.02 1
851 102 79 ARG HB2 H 1.81 0.02 2
852 102 79 ARG HB3 H 1.74 0.02 2
853 102 79 ARG HD2 H 3.13 0.02 2
854 102 79 ARG HD3 H 3 0.02 2
855 102 79 ARG HE H 7.17 0.02 1
856 102 79 ARG HG2 H 1.47 0.02 2
857 102 79 ARG HG3 H 1.47 0.02 2
858 102 79 ARG C C 174.3 0.2 1
859 102 79 ARG CA C 54.8 0.2 1
860 102 79 ARG CB C 33.1 0.2 1
861 102 79 ARG CD C 43.6 0.2 1
862 102 79 ARG CG C 28.1 0.2 1
863 102 79 ARG N N 126.1 0.2 1
864 102 79 ARG NE N 82.8 0.2 1
865 103 80 LEU H H 9.02 0.02 1
866 103 80 LEU HA H 4.4 0.02 1
867 103 80 LEU HB2 H 1.65 0.02 2
868 103 80 LEU HB3 H 0.94 0.02 2
869 103 80 LEU HD1 H -0.17 0.02 2
870 103 80 LEU HD2 H 0.54 0.02 2
871 103 80 LEU HG H 0.95 0.02 1
872 103 80 LEU C C 176.1 0.2 1
873 103 80 LEU CA C 54.1 0.2 1
874 103 80 LEU CB C 42.6 0.2 1
875 103 80 LEU CD1 C 21.2 0.2 2
876 103 80 LEU CD2 C 25.2 0.2 2
877 103 80 LEU CG C 26.9 0.2 1
878 103 80 LEU N N 128.0 0.2 1
879 104 81 GLU H H 8.86 0.02 1
880 104 81 GLU HA H 4.43 0.02 1
881 104 81 GLU HB2 H 1.80 0.02 2
882 104 81 GLU HB3 H 1.76 0.02 2
883 104 81 GLU HG2 H 2.03 0.02 2
884 104 81 GLU HG3 H 2.03 0.02 2
885 104 81 GLU C C 175.8 0.2 1
886 104 81 GLU CA C 55.5 0.2 1
887 104 81 GLU CB C 32.6 0.2 1
888 104 81 GLU CG C 35.9 0.2 1
889 104 81 GLU N N 128.6 0.2 1
890 105 82 ASN H H 9.41 0.02 1
891 105 82 ASN HA H 4.2 0.02 1
892 105 82 ASN HB2 H 2.95 0.02 2
893 105 82 ASN HB3 H 2.72 0.02 2
894 105 82 ASN HD21 H 7.73 0.02 2
895 105 82 ASN HD22 H 6.87 0.02 2
896 105 82 ASN C C 174.3 0.2 1
897 105 82 ASN CA C 54.7 0.2 1
898 105 82 ASN CB C 37.2 0.2 1
899 105 82 ASN CG C 178.1 0.2 1
900 105 82 ASN N N 124.6 0.2 1
901 105 82 ASN ND2 N 114.1 0.2 1
902 106 83 ASN H H 8.64 0.02 1
903 106 83 ASN HA H 4.01 0.02 1
904 106 83 ASN HB2 H 3 0.02 2
905 106 83 ASN HB3 H 2.91 0.02 2
906 106 83 ASN HD21 H 7.52 0.02 2
907 106 83 ASN HD22 H 6.82 0.02 2
908 106 83 ASN C C 173.1 0.2 1
909 106 83 ASN CA C 54.9 0.2 1
910 106 83 ASN CB C 38.1 0.2 1
911 106 83 ASN CG C 178.3 0.2 1
912 106 83 ASN N N 108.9 0.2 1
913 106 83 ASN ND2 N 113 0.2 1
914 107 84 GLU H H 7.66 0.02 1
915 107 84 GLU HA H 4.66 0.02 1
916 107 84 GLU HB2 H 2.07 0.02 2
917 107 84 GLU HB3 H 1.89 0.02 2
918 107 84 GLU HG2 H 2.25 0.02 2
919 107 84 GLU HG3 H 2.25 0.02 2
920 107 84 GLU C C 174.3 0.2 1
921 107 84 GLU CA C 54.7 0.2 1
922 107 84 GLU CB C 32.9 0.2 1
923 107 84 GLU CG C 35.5 0.2 1
924 107 84 GLU N N 118.3 0.2 1
925 108 85 PHE H H 9.69 0.02 1
926 108 85 PHE HA H 5.00 0.02 1
927 108 85 PHE HB2 H 2.93 0.02 2
928 108 85 PHE HB3 H 2.49 0.02 2
929 108 85 PHE HD1 H 7.17 0.02 3
930 108 85 PHE HD2 H 7.17 0.02 3
931 108 85 PHE HE1 H 7.26 0.02 3
932 108 85 PHE HE2 H 7.26 0.02 3
933 108 85 PHE C C 174.5 0.2 1
934 108 85 PHE CA C 58.6 0.2 1
935 108 85 PHE CB C 41.8 0.2 1
936 108 85 PHE CD1 C 131.2 0.2 3
937 108 85 PHE CD2 C 131.2 0.2 3
938 108 85 PHE CE1 C 129.9 0.2 3
939 108 85 PHE CE2 C 129.9 0.2 3
940 108 85 PHE N N 121.1 0.2 1
941 109 86 ASN H H 9.18 0.02 1
942 109 86 ASN HA H 5.58 0.02 1
943 109 86 ASN HB2 H 2.52 0.02 2
944 109 86 ASN HB3 H 2.27 0.02 2
945 109 86 ASN HD21 H 6.79 0.02 2
946 109 86 ASN HD22 H 6.66 0.02 2
947 109 86 ASN C C 175 0.2 1
948 109 86 ASN CA C 51.2 0.2 1
949 109 86 ASN CB C 42.1 0.2 1
950 109 86 ASN CG C 175.4 0.2 1
951 109 86 ASN N N 119.4 0.2 1
952 109 86 ASN ND2 N 110.4 0.2 1
953 110 87 VAL H H 9.06 0.02 1
954 110 87 VAL HA H 4.94 0.02 1
955 110 87 VAL HB H 1.61 0.02 1
956 110 87 VAL HG1 H 0.73 0.02 2
957 110 87 VAL HG2 H 0.09 0.02 2
958 110 87 VAL C C 171.7 0.2 1
959 110 87 VAL CA C 58.4 0.2 1
960 110 87 VAL CB C 33.8 0.2 1
961 110 87 VAL CG1 C 19.7 0.2 2
962 110 87 VAL CG2 C 22.7 0.2 2
963 110 87 VAL N N 121.3 0.2 1
964 111 88 VAL H H 8.64 0.02 1
965 111 88 VAL HA H 4.59 0.02 1
966 111 88 VAL HB H 1.68 0.02 1
967 111 88 VAL HG1 H 0.73 0.02 2
968 111 88 VAL HG2 H 0.73 0.02 2
969 111 88 VAL C C 175.7 0.2 1
970 111 88 VAL CA C 60.1 0.2 1
971 111 88 VAL CB C 36.2 0.2 1
972 111 88 VAL CG1 C 19.7 0.2 2
973 111 88 VAL CG2 C 20.7 0.2 2
974 111 88 VAL N N 125.5 0.2 1
975 112 89 ASP H H 8.48 0.02 1
976 112 89 ASP HA H 4.87 0.02 1
977 112 89 ASP HB2 H 3 0.02 2
978 112 89 ASP HB3 H 2.39 0.02 2
979 112 89 ASP C C 177.2 0.2 1
980 112 89 ASP CA C 54.7 0.2 1
981 112 89 ASP CB C 43.6 0.2 1
982 112 89 ASP N N 126.6 0.2 1
983 113 90 VAL H H 7.98 0.02 1
984 113 90 VAL HA H 4.54 0.02 1
985 113 90 VAL HB H 2.32 0.02 1
986 113 90 VAL HG1 H 0.6 0.02 2
987 113 90 VAL HG2 H 0.4 0.02 2
988 113 90 VAL C C 174.4 0.2 1
989 113 90 VAL CA C 60.3 0.2 1
990 113 90 VAL CB C 29.5 0.2 1
991 113 90 VAL CG1 C 21.4 0.2 2
992 113 90 VAL CG2 C 18.5 0.2 2
993 113 90 VAL N N 119.7 0.2 1
994 114 91 GLY H H 8.6 0.02 1
995 114 91 GLY HA2 H 4.26 0.02 2
996 114 91 GLY HA3 H 3.72 0.02 2
997 114 91 GLY C C 175.3 0.2 1
998 114 91 GLY CA C 45.7 0.2 1
999 114 91 GLY N N 111.3 0.2 1
1000 115 92 SER H H 9.19 0.02 1
1001 115 92 SER HA H 3.89 0.02 1
1002 115 92 SER HB2 H 3.39 0.02 2
1003 115 92 SER HB3 H 2.89 0.02 2
1004 115 92 SER C C 174.5 0.2 1
1005 115 92 SER CA C 58.6 0.2 1
1006 115 92 SER CB C 61.3 0.2 1
1007 115 92 SER N N 121.0 0.2 1
1008 116 93 LEU H H 7.72 0.02 1
1009 116 93 LEU HA H 4.25 0.02 1
1010 116 93 LEU HB2 H 1.72 0.02 2
1011 116 93 LEU HB3 H 1.56 0.02 2
1012 116 93 LEU HD1 H 0.9 0.02 2
1013 116 93 LEU HD2 H 0.9 0.02 2
1014 116 93 LEU HG H 1.45 0.02 1
1015 116 93 LEU C C 179.1 0.2 1
1016 116 93 LEU CA C 57.2 0.2 1
1017 116 93 LEU CB C 42.1 0.2 1
1018 116 93 LEU CD1 C 23.5 0.2 2
1019 116 93 LEU CD2 C 25.3 0.2 2
1020 116 93 LEU CG C 27 0.2 1
1021 116 93 LEU N N 120.5 0.2 1
1022 117 94 ASN H H 8.45 0.02 1
1023 117 94 ASN HA H 4.87 0.02 1
1024 117 94 ASN HB2 H 3.13 0.02 2
1025 117 94 ASN HB3 H 2.93 0.02 2
1026 117 94 ASN HD21 H 8.03 0.02 2
1027 117 94 ASN HD22 H 7.41 0.02 2
1028 117 94 ASN C C 175.8 0.2 1
1029 117 94 ASN CA C 54 0.2 1
1030 117 94 ASN CB C 40.1 0.2 1
1031 117 94 ASN CG C 176.9 0.2 1
1032 117 94 ASN N N 112.5 0.2 1
1033 117 94 ASN ND2 N 113.8 0.2 1
1034 118 95 GLY H H 7.94 0.02 1
1035 118 95 GLY HA2 H 4.19 0.02 2
1036 118 95 GLY HA3 H 3.61 0.02 2
1037 118 95 GLY C C 174 0.2 1
1038 118 95 GLY CA C 44.3 0.2 1
1039 118 95 GLY N N 109.8 0.2 1
1040 119 96 THR H H 8.94 0.02 1
1041 119 96 THR HA H 3.82 0.02 1
1042 119 96 THR HB H 3.73 0.02 1
1043 119 96 THR HG1 H 6.67 0.02 1
1044 119 96 THR HG2 H 0.86 0.02 1
1045 119 96 THR C C 172.3 0.2 1
1046 119 96 THR CA C 64.1 0.2 1
1047 119 96 THR CB C 70.2 0.2 1
1048 119 96 THR CG2 C 21.2 0.2 1
1049 119 96 THR N N 122.0 0.2 1
1050 120 97 TYR H H 8.22 0.02 1
1051 120 97 TYR HA H 5.34 0.02 1
1052 120 97 TYR HB2 H 2.99 0.02 2
1053 120 97 TYR HB3 H 2.32 0.02 2
1054 120 97 TYR HD1 H 6.7 0.02 3
1055 120 97 TYR HD2 H 6.7 0.02 3
1056 120 97 TYR HE1 H 6.83 0.02 3
1057 120 97 TYR HE2 H 6.83 0.02 3
1058 120 97 TYR C C 175.9 0.2 1
1059 120 97 TYR CA C 55.6 0.2 1
1060 120 97 TYR CB C 41.4 0.2 1
1061 120 97 TYR CD1 C 132.7 0.2 3
1062 120 97 TYR CD2 C 132.7 0.2 3
1063 120 97 TYR CE1 C 117.9 0.2 3
1064 120 97 TYR CE2 C 117.9 0.2 3
1065 120 97 TYR N N 122.8 0.2 1
1066 121 98 VAL H H 9.04 0.02 1
1067 121 98 VAL HA H 5.01 0.02 1
1068 121 98 VAL HB H 1.75 0.02 1
1069 121 98 VAL HG1 H 0.75 0.02 2
1070 121 98 VAL HG2 H 0.77 0.02 2
1071 121 98 VAL C C 176.9 0.2 1
1072 121 98 VAL CA C 61.1 0.2 1
1073 121 98 VAL CB C 33.0 0.2 1
1074 121 98 VAL CG1 C 23.4 0.2 2
1075 121 98 VAL CG2 C 21.1 0.2 2
1076 121 98 VAL N N 121.4 0.2 1
1077 122 99 ASN H H 10.1 0.02 1
1078 122 99 ASN HA H 4.44 0.02 1
1079 122 99 ASN HB2 H 3.02 0.02 2
1080 122 99 ASN HB3 H 2.88 0.02 2
1081 122 99 ASN HD21 H 7.49 0.02 2
1082 122 99 ASN HD22 H 7.87 0.02 2
1083 122 99 ASN C C 174.5 0.2 1
1084 122 99 ASN CA C 55.0 0.2 1
1085 122 99 ASN CB C 37.0 0.2 1
1086 122 99 ASN CG C 175.9 0.2 1
1087 122 99 ASN N N 129.4 0.2 1
1088 122 99 ASN ND2 N 117.3 0.2 1
1089 123 100 ARG H H 9.29 0.02 1
1090 123 100 ARG HA H 3.68 0.02 1
1091 123 100 ARG HB2 H 1.58 0.02 2
1092 123 100 ARG HB3 H 1.48 0.02 2
1093 123 100 ARG HD2 H 3.15 0.02 2
1094 123 100 ARG HD3 H 3.09 0.02 2
1095 123 100 ARG HE H 7.62 0.02 1
1096 123 100 ARG HG2 H 2.01 0.02 2
1097 123 100 ARG HG3 H 2.34 0.02 2
1098 123 100 ARG C C 175.2 0.2 1
1099 123 100 ARG CA C 58.1 0.2 1
1100 123 100 ARG CB C 27.6 0.2 1
1101 123 100 ARG CD C 42.9 0.2 1
1102 123 100 ARG CG C 27.1 0.2 1
1103 123 100 ARG N N 106.1 0.2 1
1104 123 100 ARG NE N 85.1 0.2 1
1105 124 101 GLU H H 7.97 0.02 1
1106 124 101 GLU HA H 5.11 0.02 1
1107 124 101 GLU HB2 H 2.1 0.02 2
1108 124 101 GLU HB3 H 1.92 0.02 2
1109 124 101 GLU HG2 H 2.38 0.02 2
1110 124 101 GLU HG3 H 2.26 0.02 2
1111 124 101 GLU CA C 53.0 0.2 1
1112 124 101 GLU CB C 30.9 0.2 1
1113 124 101 GLU CG C 35.3 0.2 1
1114 124 101 GLU N N 121.3 0.2 1
1115 125 102 PRO HA H 4.05 0.02 1
1116 125 102 PRO HB2 H 1.71 0.02 2
1117 125 102 PRO HB3 H 1.62 0.02 2
1118 125 102 PRO HD2 H 3.96 0.02 2
1119 125 102 PRO HD3 H 3.86 0.02 2
1120 125 102 PRO HG2 H 2.19 0.02 2
1121 125 102 PRO HG3 H 2.05 0.02 2
1122 125 102 PRO C C 177.5 0.2 1
1123 125 102 PRO CA C 62.3 0.2 1
1124 125 102 PRO CB C 31.3 0.2 1
1125 125 102 PRO CD C 50.4 0.2 1
1126 125 102 PRO CG C 27.2 0.2 1
1127 126 103 VAL H H 8.33 0.02 1
1128 126 103 VAL HA H 4.7 0.02 1
1129 126 103 VAL HB H 1.89 0.02 1
1130 126 103 VAL HG1 H 0.83 0.02 2
1131 126 103 VAL HG2 H 0.45 0.02 2
1132 126 103 VAL C C 174.5 0.2 1
1133 126 103 VAL CA C 58.9 0.2 1
1134 126 103 VAL CB C 35.3 0.2 1
1135 126 103 VAL CG1 C 21.8 0.2 2
1136 126 103 VAL CG2 C 18.3 0.2 2
1137 126 103 VAL N N 115 0.2 1
1138 127 104 ASP H H 8.52 0.02 1
1139 127 104 ASP HA H 4.78 0.02 1
1140 127 104 ASP HB2 H 2.76 0.02 2
1141 127 104 ASP HB3 H 2.64 0.02 2
1142 127 104 ASP C C 176.2 0.2 1
1143 127 104 ASP CA C 55.8 0.2 1
1144 127 104 ASP CB C 41.1 0.2 1
1145 127 104 ASP N N 120.8 0.2 1
1146 128 105 SER H H 7.65 0.02 1
1147 128 105 SER HA H 5.44 0.02 1
1148 128 105 SER HB2 H 3.75 0.02 2
1149 128 105 SER HB3 H 3.75 0.02 2
1150 128 105 SER C C 173.4 0.2 1
1151 128 105 SER CA C 56.6 0.2 1
1152 128 105 SER CB C 65 0.2 1
1153 128 105 SER N N 111.5 0.2 1
1154 129 106 ALA H H 8.79 0.02 1
1155 129 106 ALA HA H 4.61 0.02 1
1156 129 106 ALA HB H 1.26 0.02 1
1157 129 106 ALA C C 175.3 0.2 1
1158 129 106 ALA CA C 52.1 0.2 1
1159 129 106 ALA CB C 22.6 0.2 1
1160 129 106 ALA N N 125.1 0.2 1
1161 130 107 VAL H H 8.34 0.02 1
1162 130 107 VAL HA H 4.16 0.02 1
1163 130 107 VAL HB H 1.86 0.02 1
1164 130 107 VAL HG1 H 0.87 0.02 2
1165 130 107 VAL HG2 H 0.93 0.02 2
1166 130 107 VAL C C 176.3 0.2 1
1167 130 107 VAL CA C 62.6 0.2 1
1168 130 107 VAL CB C 32.0 0.2 1
1169 130 107 VAL CG1 C 21.3 0.2 2
1170 130 107 VAL CG2 C 21.8 0.2 2
1171 130 107 VAL N N 122.8 0.2 1
1172 131 108 LEU H H 8.49 0.02 1
1173 131 108 LEU HA H 4.37 0.02 1
1174 131 108 LEU HB2 H 0.64 0.02 2
1175 131 108 LEU HB3 H 0.1 0.02 2
1176 131 108 LEU HD1 H 0.38 0.02 2
1177 131 108 LEU HD2 H 0.65 0.02 2
1178 131 108 LEU HG H 1.38 0.02 1
1179 131 108 LEU C C 175.2 0.2 1
1180 131 108 LEU CA C 54.2 0.2 1
1181 131 108 LEU CB C 43 0.2 1
1182 131 108 LEU CD1 C 26.4 0.2 2
1183 131 108 LEU CD2 C 23.8 0.2 2
1184 131 108 LEU CG C 26.3 0.2 1
1185 131 108 LEU N N 128.9 0.2 1
1186 132 109 ALA H H 9.13 0.02 1
1187 132 109 ALA HA H 4.75 0.02 1
1188 132 109 ALA HB H 1.42 0.02 1
1189 132 109 ALA C C 176.5 0.2 1
1190 132 109 ALA CA C 49.7 0.2 1
1191 132 109 ALA CB C 22.4 0.2 1
1192 132 109 ALA N N 126 0.2 1
1193 133 110 ASN H H 8.86 0.02 1
1194 133 110 ASN HA H 4.43 0.02 1
1195 133 110 ASN HB2 H 2.94 0.02 2
1196 133 110 ASN HB3 H 2.72 0.02 2
1197 133 110 ASN HD21 H 7.58 0.02 2
1198 133 110 ASN HD22 H 6.76 0.02 2
1199 133 110 ASN C C 176.4 0.2 1
1200 133 110 ASN CA C 56.4 0.2 1
1201 133 110 ASN CB C 39.8 0.2 1
1202 133 110 ASN CG C 175.5 0.2 1
1203 133 110 ASN N N 117.6 0.2 1
1204 133 110 ASN ND2 N 113.4 0.2 1
1205 134 111 GLY H H 10.1 0.02 1
1206 134 111 GLY HA2 H 4.43 0.02 2
1207 134 111 GLY HA3 H 3.41 0.02 2
1208 134 111 GLY C C 174.8 0.2 1
1209 134 111 GLY CA C 45.1 0.2 1
1210 134 111 GLY N N 117.2 0.2 1
1211 135 112 ASP H H 8.64 0.02 1
1212 135 112 ASP HA H 4.43 0.02 1
1213 135 112 ASP HB2 H 2.84 0.02 2
1214 135 112 ASP HB3 H 2.36 0.02 2
1215 135 112 ASP C C 174.7 0.2 1
1216 135 112 ASP CA C 56.2 0.2 1
1217 135 112 ASP CB C 42.1 0.2 1
1218 135 112 ASP N N 122.9 0.2 1
1219 136 113 GLU H H 8.36 0.02 1
1220 136 113 GLU HA H 5.22 0.02 1
1221 136 113 GLU HB2 H 2.13 0.02 2
1222 136 113 GLU HB3 H 2.02 0.02 2
1223 136 113 GLU HG2 H 2.26 0.02 2
1224 136 113 GLU HG3 H 1.95 0.02 2
1225 136 113 GLU C C 176 0.2 1
1226 136 113 GLU CA C 54.4 0.2 1
1227 136 113 GLU CB C 32.9 0.2 1
1228 136 113 GLU CG C 38.1 0.2 1
1229 136 113 GLU N N 119 0.2 1
1230 137 114 VAL H H 9.80 0.02 1
1231 137 114 VAL HA H 5.16 0.02 1
1232 137 114 VAL HB H 2.03 0.02 1
1233 137 114 VAL HG1 H 0.95 0.02 2
1234 137 114 VAL HG2 H 0.98 0.02 2
1235 137 114 VAL C C 174.4 0.2 1
1236 137 114 VAL CA C 60.4 0.2 1
1237 137 114 VAL CB C 34.3 0.2 1
1238 137 114 VAL CG1 C 22.6 0.2 2
1239 137 114 VAL CG2 C 21.7 0.2 2
1240 137 114 VAL N N 129 0.2 1
1241 138 115 GLN H H 9.61 0.02 1
1242 138 115 GLN HA H 5.43 0.02 1
1243 138 115 GLN HB2 H 2.12 0.02 2
1244 138 115 GLN HB3 H 1.91 0.02 2
1245 138 115 GLN HE21 H 7.59 0.02 2
1246 138 115 GLN HE22 H 6.9 0.02 2
1247 138 115 GLN HG2 H 2.37 0.02 2
1248 138 115 GLN HG3 H 2.32 0.02 2
1249 138 115 GLN C C 174.8 0.2 1
1250 138 115 GLN CA C 54.5 0.2 1
1251 138 115 GLN CB C 30.7 0.2 1
1252 138 115 GLN CD C 180.1 0.2 1
1253 138 115 GLN CG C 32.9 0.2 1
1254 138 115 GLN N N 129.3 0.2 1
1255 139 116 ILE H H 8.4 0.02 1
1256 139 116 ILE HA H 4.02 0.02 1
1257 139 116 ILE HB H 1.28 0.02 1
1258 139 116 ILE HD1 H 0.55 0.02 1
1259 139 116 ILE HG12 H 1.41 0.02 2
1260 139 116 ILE HG13 H 0.81 0.02 2
1261 139 116 ILE HG2 H -0.11 0.02 1
1262 139 116 ILE C C 174.5 0.2 1
1263 139 116 ILE CA C 60.6 0.2 1
1264 139 116 ILE CB C 40.9 0.2 1
1265 139 116 ILE CD1 C 13.6 0.2 1
1266 139 116 ILE CG1 C 27.4 0.2 1
1267 139 116 ILE CG2 C 15.3 0.2 1
1268 139 116 ILE N N 128.3 0.2 1
1269 140 117 GLY H H 9.65 0.02 1
1270 140 117 GLY HA2 H 3.82 0.02 2
1271 140 117 GLY HA3 H 3.63 0.02 2
1272 140 117 GLY C C 175.4 0.2 1
1273 140 117 GLY CA C 46.5 0.2 1
1274 140 117 GLY N N 116.8 0.2 1
1275 141 118 LYS H H 7.96 0.02 1
1276 141 118 LYS HA H 4.07 0.02 1
1277 141 118 LYS HB2 H 1.46 0.02 2
1278 141 118 LYS HB3 H 1.46 0.02 2
1279 141 118 LYS HD2 H 1.4 0.02 2
1280 141 118 LYS HD3 H 1.29 0.02 2
1281 141 118 LYS HE2 H 2.69 0.02 2
1282 141 118 LYS HE3 H 2.63 0.02 2
1283 141 118 LYS HG2 H 0.94 0.02 2
1284 141 118 LYS HG3 H 0.64 0.02 2
1285 141 118 LYS C C 175.6 0.2 1
1286 141 118 LYS CA C 56.7 0.2 1
1287 141 118 LYS CB C 32.6 0.2 1
1288 141 118 LYS CD C 29.3 0.2 1
1289 141 118 LYS CE C 41.2 0.2 1
1290 141 118 LYS CG C 24.1 0.2 1
1291 141 118 LYS N N 122.4 0.2 1
1292 142 119 PHE H H 8.26 0.02 1
1293 142 119 PHE HA H 4.54 0.02 1
1294 142 119 PHE HB2 H 3.42 0.02 2
1295 142 119 PHE HB3 H 2.59 0.02 2
1296 142 119 PHE HD1 H 7.36 0.02 3
1297 142 119 PHE HD2 H 7.36 0.02 3
1298 142 119 PHE HE1 H 7.16 0.02 3
1299 142 119 PHE HE2 H 7.16 0.02 3
1300 142 119 PHE HZ H 6.44 0.02 1
1301 142 119 PHE C C 174.7 0.2 1
1302 142 119 PHE CA C 58.2 0.2 1
1303 142 119 PHE CB C 39.9 0.2 1
1304 142 119 PHE CD1 C 132.8 0.2 3
1305 142 119 PHE CD2 C 132.8 0.2 3
1306 142 119 PHE CE1 C 131.9 0.2 3
1307 142 119 PHE CE2 C 131.9 0.2 3
1308 142 119 PHE N N 119.5 0.2 1
1309 143 120 ARG H H 8.69 0.02 1
1310 143 120 ARG HA H 5.02 0.02 1
1311 143 120 ARG HB2 H 1.74 0.02 2
1312 143 120 ARG HB3 H 1.67 0.02 2
1313 143 120 ARG HD2 H 3.13 0.02 2
1314 143 120 ARG HD3 H 3.13 0.02 2
1315 143 120 ARG HG2 H 1.51 0.02 2
1316 143 120 ARG HG3 H 1.37 0.02 2
1317 143 120 ARG C C 174.8 0.2 1
1318 143 120 ARG CA C 55.1 0.2 1
1319 143 120 ARG CB C 32.8 0.2 1
1320 143 120 ARG CD C 43.5 0.2 1
1321 143 120 ARG CG C 27.7 0.2 1
1322 143 120 ARG N N 121.5 0.2 1
1323 144 121 LEU H H 9.76 0.02 1
1324 144 121 LEU HA H 5.42 0.02 1
1325 144 121 LEU HB2 H 1.72 0.02 2
1326 144 121 LEU HB3 H 1.46 0.02 2
1327 144 121 LEU HD1 H 0.81 0.02 2
1328 144 121 LEU HD2 H 0.76 0.02 2
1329 144 121 LEU HG H 1.66 0.02 1
1330 144 121 LEU C C 175 0.2 1
1331 144 121 LEU CA C 53.9 0.2 1
1332 144 121 LEU CB C 44.9 0.2 1
1333 144 121 LEU CD1 C 26.3 0.2 2
1334 144 121 LEU CD2 C 27.2 0.2 2
1335 144 121 LEU CG C 28.7 0.2 1
1336 144 121 LEU N N 126.4 0.2 1
1337 145 122 VAL H H 9.37 0.02 1
1338 145 122 VAL HA H 5.01 0.02 1
1339 145 122 VAL HB H 1.83 0.02 1
1340 145 122 VAL HG1 H 0.97 0.02 2
1341 145 122 VAL HG2 H 0.95 0.02 2
1342 145 122 VAL C C 173.7 0.2 1
1343 145 122 VAL CA C 60.8 0.2 1
1344 145 122 VAL CB C 34.3 0.2 1
1345 145 122 VAL CG1 C 21.3 0.2 2
1346 145 122 VAL CG2 C 22.5 0.2 2
1347 145 122 VAL N N 121.9 0.2 1
1348 146 123 PHE H H 8.83 0.02 1
1349 146 123 PHE HA H 4.98 0.02 1
1350 146 123 PHE HB2 H 3.02 0.02 2
1351 146 123 PHE HB3 H 2.59 0.02 2
1352 146 123 PHE HD1 H 6.88 0.02 3
1353 146 123 PHE HD2 H 6.88 0.02 3
1354 146 123 PHE HE1 H 6.57 0.02 3
1355 146 123 PHE HE2 H 6.57 0.02 3
1356 146 123 PHE HZ H 7.09 0.02 1
1357 146 123 PHE C C 172.7 0.2 1
1358 146 123 PHE CA C 57.1 0.2 1
1359 146 123 PHE CB C 41.1 0.2 1
1360 146 123 PHE CD1 C 132.1 0.2 3
1361 146 123 PHE CD2 C 132.1 0.2 3
1362 146 123 PHE CE1 C 130.9 0.2 3
1363 146 123 PHE CE2 C 130.9 0.2 3
1364 146 123 PHE CZ C 130 0.2 1
1365 146 123 PHE N N 128.7 0.2 1
1366 147 124 LEU H H 8.65 0.02 1
1367 147 124 LEU HA H 5.02 0.02 1
1368 147 124 LEU HB2 H 1.36 0.02 2
1369 147 124 LEU HB3 H 1.28 0.02 2
1370 147 124 LEU HD1 H 0.70 0.02 2
1371 147 124 LEU HD2 H 0.81 0.02 2
1372 147 124 LEU HG H 1.35 0.02 1
1373 147 124 LEU C C 175.3 0.2 1
1374 147 124 LEU CA C 52.6 0.2 1
1375 147 124 LEU CB C 45.6 0.2 1
1376 147 124 LEU CD1 C 26.3 0.2 2
1377 147 124 LEU CD2 C 23.4 0.2 2
1378 147 124 LEU CG C 26.7 0.2 1
1379 147 124 LEU N N 128 0.2 1
1380 148 125 THR H H 8.3 0.02 1
1381 148 125 THR HA H 4.33 0.02 1
1382 148 125 THR HB H 4.08 0.02 1
1383 148 125 THR HG2 H 1.13 0.02 1
1384 148 125 THR C C 173.9 0.2 1
1385 148 125 THR CA C 60.2 0.2 1
1386 148 125 THR CB C 70.3 0.2 1
1387 148 125 THR CG2 C 21.4 0.2 1
1388 148 125 THR N N 110.6 0.2 1
1389 149 126 GLY H H 8.31 0.02 1
1390 149 126 GLY HA2 H 3.84 0.02 2
1391 149 126 GLY HA3 H 3.84 0.02 2
1392 149 126 GLY CA C 45.2 0.2 1
1393 149 126 GLY N N 109.8 0.2 1
1394 150 127 HIS H H 8.31 0.02 1
1395 150 127 HIS HA H 4.63 0.02 1
1396 150 127 HIS HB2 H 3.10 0.02 2
1397 150 127 HIS HB3 H 3.10 0.02 2
1398 150 127 HIS HD2 H 7.09 0.02 1
1399 150 127 HIS HE1 H 8.01 0.02 1
1400 150 127 HIS C C 174.8 0.2 1
1401 150 127 HIS CA C 55.9 0.2 1
1402 150 127 HIS CB C 30.7 0.2 1
1403 150 127 HIS CD2 C 119.7 0.2 1
1404 150 127 HIS CE1 C 137.8 0.2 1
1405 150 127 HIS N N 119.3 0.2 1
1406 150 127 HIS ND1 N 256 0.2 1
1407 150 127 HIS NE2 N 177.4 0.2 1
1408 151 128 LYS H H 8.49 0.02 1
1409 151 128 LYS HA H 4.30 0.02 1
1410 151 128 LYS HB2 H 1.78 0.02 2
1411 151 128 LYS HB3 H 1.68 0.02 2
1412 151 128 LYS HD2 H 1.66 0.02 2
1413 151 128 LYS HD3 H 1.66 0.02 2
1414 151 128 LYS HE2 H 2.98 0.02 2
1415 151 128 LYS HE3 H 2.98 0.02 2
1416 151 128 LYS HG2 H 1.40 0.02 2
1417 151 128 LYS HG3 H 1.40 0.02 2
1418 151 128 LYS C C 176.2 0.2 1
1419 151 128 LYS CA C 56.1 0.2 1
1420 151 128 LYS CB C 33.2 0.2 1
1421 151 128 LYS CD C 29.1 0.2 1
1422 151 128 LYS CE C 42.2 0.2 1
1423 151 128 LYS CG C 24.9 0.2 1
1424 151 128 LYS N N 123.8 0.2 1
1425 152 129 GLN H H 8.64 0.02 1
1426 152 129 GLN HA H 4.27 0.02 1
1427 152 129 GLN HB2 H 2.06 0.02 2
1428 152 129 GLN HB3 H 1.99 0.02 2
1429 152 129 GLN HE21 H 7.56 0.02 2
1430 152 129 GLN HE22 H 6.87 0.02 2
1431 152 129 GLN HG2 H 2.36 0.02 2
1432 152 129 GLN HG3 H 2.36 0.02 2
1433 152 129 GLN C C 176.5 0.2 1
1434 152 129 GLN CA C 56.4 0.2 1
1435 152 129 GLN CB C 29.5 0.2 1
1436 152 129 GLN CD C 180.4 0.2 1
1437 152 129 GLN CG C 33.8 0.2 1
1438 152 129 GLN N N 122.9 0.2 1
1439 152 129 GLN NE2 N 112.5 0.2 1
1440 153 130 GLY H H 8.64 0.02 1
1441 153 130 GLY HA2 H 3.99 0.02 2
1442 153 130 GLY HA3 H 3.91 0.02 2
1443 153 130 GLY C C 174.1 0.2 1
1444 153 130 GLY CA C 45.4 0.2 1
1445 153 130 GLY N N 111.1 0.2 1
1446 154 131 GLU H H 8.22 0.02 1
1447 154 131 GLU HA H 4.26 0.02 1
1448 154 131 GLU HB2 H 2.01 0.02 2
1449 154 131 GLU HB3 H 1.91 0.02 2
1450 154 131 GLU HG2 H 2.2 0.02 2
1451 154 131 GLU HG3 H 2.2 0.02 2
1452 154 131 GLU C C 176.1 0.2 1
1453 154 131 GLU CA C 56.6 0.2 1
1454 154 131 GLU CB C 30.6 0.2 1
1455 154 131 GLU CG C 36.2 0.2 1
1456 154 131 GLU N N 120.5 0.2 1
1457 155 132 ASP H H 8.53 0.02 1
1458 155 132 ASP HA H 4.56 0.02 1
1459 155 132 ASP HB2 H 2.71 0.02 2
1460 155 132 ASP HB3 H 2.6 0.02 2
1461 155 132 ASP C C 176.3 0.2 1
1462 155 132 ASP CA C 54.3 0.2 1
1463 155 132 ASP CB C 41 0.2 1
1464 155 132 ASP N N 121.3 0.2 1
1465 156 133 LEU H H 8.23 0.02 1
1466 156 133 LEU HA H 4.2 0.02 1
1467 156 133 LEU HB2 H 1.55 0.02 2
1468 156 133 LEU HB3 H 1.55 0.02 2
1469 156 133 LEU HD1 H 0.85 0.02 2
1470 156 133 LEU HD2 H 0.79 0.02 2
1471 156 133 LEU HG H 1.56 0.02 1
1472 156 133 LEU C C 177.7 0.2 1
1473 156 133 LEU CA C 55.5 0.2 1
1474 156 133 LEU CB C 42.1 0.2 1
1475 156 133 LEU CD1 C 25.2 0.2 2
1476 156 133 LEU CD2 C 23.4 0.2 2
1477 156 133 LEU CG C 27 0.2 1
1478 156 133 LEU N N 122.5 0.2 1
1479 157 134 GLU H H 8.27 0.02 1
1480 157 134 GLU HA H 4.1 0.02 1
1481 157 134 GLU HB2 H 1.85 0.02 2
1482 157 134 GLU HB3 H 1.85 0.02 2
1483 157 134 GLU HG2 H 2.15 0.02 2
1484 157 134 GLU HG3 H 2.09 0.02 2
1485 157 134 GLU C C 177.3 0.2 1
1486 157 134 GLU CA C 56.9 0.2 1
1487 157 134 GLU CB C 30 0.2 1
1488 157 134 GLU CG C 36.1 0.2 1
1489 157 134 GLU N N 119.8 0.2 1
1490 158 135 HIS H H 8.15 0.02 1
1491 158 135 HIS HA H 4.53 0.02 1
1492 158 135 HIS HB2 H 3.06 0.02 2
1493 158 135 HIS HB3 H 2.99 0.02 2
1494 158 135 HIS HD2 H 6.98 0.02 1
1495 158 135 HIS HE1 H 6.58 0.02 1
1496 158 135 HIS CA C 56.1 0.2 1
1497 158 135 HIS CB C 30.0 0.2 1
1498 158 135 HIS N N 118.5 0.2 1
1499 162 139 HIS HA H 4.59 0.02 1
1500 162 139 HIS HB2 H 3.07 0.02 2
1501 162 139 HIS HB3 H 3.07 0.02 2
1502 162 139 HIS C C 173.9 0.2 1
1503 162 139 HIS CA C 55.9 0.2 1
1504 162 139 HIS CB C 30.1 0.2 1
1505 163 140 HIS H H 8.14 0.02 1
1506 163 140 HIS HA H 4.41 0.02 1
1507 163 140 HIS HB2 H 3.17 0.02 2
1508 163 140 HIS HB3 H 3.05 0.02 2
1509 163 140 HIS CA C 57.4 0.2 1
1510 163 140 HIS CB C 30.3 0.2 1
1511 163 140 HIS N N 125.3 0.2 1
stop_
save_
save_Nnoesy.list
_Saveframe_category spectral_peak_list
_Details .
loop_
_Software_label
$SPARKY
stop_
_Experiment_label '3D 1H-15N NOESY'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 N NH
2 H H
3 H HN
stop_
_Sample_label $NC_sample
_Sample_conditions_label $sample_conditions_1
_Text_data_format text
_Text_data
;
w1 w2 w3 Data Height
105.967 4.999 9.296 3129205
106.025 3.040 9.299 3119213
106.041 10.095 9.288 5647814
106.066 2.341 9.286 6082863
106.067 3.675 9.290 19297900
106.085 4.441 9.287 7895150
106.106 7.967 9.290 7924556
106.170 2.878 9.289 3320773
106.170 1.490 9.292 4501928
106.170 2.019 9.287 4897715
108.512 4.298 8.503 83636984
108.513 4.007 8.504 82398536
108.517 1.382 8.504 29151272
108.531 8.024 8.504 8525425
108.535 1.481 8.394 3468295
108.617 3.989 8.405 5389792
108.621 3.626 8.400 5623380
108.627 1.026 8.405 3660800
108.629 4.395 8.400 4595368
108.639 5.719 8.399 18998926
108.642 1.194 8.399 13293308
108.670 0.271 8.402 3687879
108.698 -0.442 8.403 3107490
108.712 0.543 8.638 3652562
108.812 0.944 8.642 4483184
108.822 2.947 8.641 23479382
108.827 4.412 8.637 6435690
108.831 4.006 8.641 51819156
108.831 3.000 8.642 18421112
108.831 2.899 8.643 17416680
108.838 4.200 8.642 20001396
108.838 7.663 8.641 19510456
108.841 2.711 8.642 8985810
108.846 -0.172 8.640 13474647
108.852 9.405 8.637 5643102
109.298 2.225 8.338 9880946
109.312 4.163 8.338 56771728
109.315 1.943 8.337 13274980
109.318 8.575 8.336 13186952
109.319 7.775 8.337 22665512
109.345 3.903 8.336 32818910
109.345 3.827 8.339 39805476
109.346 0.788 8.339 7129620
109.696 4.328 8.319 18766330
109.785 0.640 8.318 9376947
109.787 8.451 7.938 9901509
109.788 3.609 7.939 12715699
109.806 4.194 7.937 10670103
109.820 1.128 8.318 6995340
109.828 2.901 7.937 4836452
109.832 4.071 8.316 22291430
109.832 3.831 8.316 16337109
109.836 8.945 7.936 5310705
109.839 1.431 8.322 5973368
109.896 4.872 7.937 8717307
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;
save_
save_Cnoesy_aliph.list
_Saveframe_category spectral_peak_list
_Details .
loop_
_Software_label
$SPARKY
stop_
_Experiment_label '3D 1H-13C NOESY'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 C Caliph
2 H H
3 H HC
stop_
_Sample_label $NC_sample
_Sample_conditions_label $sample_conditions_1
_Text_data_format text
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;
w1 w2 w3 Data Height
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12.984 1.790 0.842 83670936
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;
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save_4D_ccnoesy.list
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loop_
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$SPARKY
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