data_19625
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
TNPX
;
_BMRB_accession_number 19625
_BMRB_flat_file_name bmr19625.str
_Entry_type original
_Submission_date 2013-11-20
_Accession_date 2013-11-20
_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 Headey S. J. .
2 Sivakumaran A. . .
3 Adams V. . .
4 Rodgers A. J.W. .
5 Rood J. I. .
6 Scanlon M. J. .
7 Wilce M. C.J. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 704
"13C chemical shifts" 494
"15N chemical shifts" 130
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2014-11-24 original author .
stop_
_Original_release_date 2014-11-24
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution Structure and DNA Binding of the Catalytic of the Large Serine Resolvase Tnpx'
_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 Headey S. J. .
2 Sivakumaran A. . .
3 Adams V. . .
4 Rodgers A. J.W. .
5 Scanlon J. I .
6 Wilce M. C.J. .
stop_
_Journal_abbreviation 'To be Published'
_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 .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name TNPX
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
TNPX $TNPX
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_TNPX
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common TNPX
_Molecular_mass 13793.345
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 120
_Mol_residue_sequence
;
GSRTSRITALYERLSRDDDL
TGESNSITNQKKYLEDYARR
NGFENIRHFTDDGFSGVNFN
RPGFQSLIKEVEAGNVETLI
VKDMSRLGRNYLQVGFYTEV
LFPQKNVRFLAINNSIDSNN
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 GLY 2 2 SER 3 3 ARG 4 4 THR 5 5 SER
6 6 ARG 7 7 ILE 8 8 THR 9 9 ALA 10 10 LEU
11 11 TYR 12 12 GLU 13 13 ARG 14 14 LEU 15 15 SER
16 16 ARG 17 17 ASP 18 18 ASP 19 19 ASP 20 20 LEU
21 21 THR 22 22 GLY 23 23 GLU 24 24 SER 25 25 ASN
26 26 SER 27 27 ILE 28 28 THR 29 29 ASN 30 30 GLN
31 31 LYS 32 32 LYS 33 33 TYR 34 34 LEU 35 35 GLU
36 36 ASP 37 37 TYR 38 38 ALA 39 39 ARG 40 40 ARG
41 41 ASN 42 42 GLY 43 43 PHE 44 44 GLU 45 45 ASN
46 46 ILE 47 47 ARG 48 48 HIS 49 49 PHE 50 50 THR
51 51 ASP 52 52 ASP 53 53 GLY 54 54 PHE 55 55 SER
56 56 GLY 57 57 VAL 58 58 ASN 59 59 PHE 60 60 ASN
61 61 ARG 62 62 PRO 63 63 GLY 64 64 PHE 65 65 GLN
66 66 SER 67 67 LEU 68 68 ILE 69 69 LYS 70 70 GLU
71 71 VAL 72 72 GLU 73 73 ALA 74 74 GLY 75 75 ASN
76 76 VAL 77 77 GLU 78 78 THR 79 79 LEU 80 80 ILE
81 81 VAL 82 82 LYS 83 83 ASP 84 84 MET 85 85 SER
86 86 ARG 87 87 LEU 88 88 GLY 89 89 ARG 90 90 ASN
91 91 TYR 92 92 LEU 93 93 GLN 94 94 VAL 95 95 GLY
96 96 PHE 97 97 TYR 98 98 THR 99 99 GLU 100 100 VAL
101 101 LEU 102 102 PHE 103 103 PRO 104 104 GLN 105 105 LYS
106 106 ASN 107 107 VAL 108 108 ARG 109 109 PHE 110 110 LEU
111 111 ALA 112 112 ILE 113 113 ASN 114 114 ASN 115 115 SER
116 116 ILE 117 117 ASP 118 118 SER 119 119 ASN 120 120 ASN
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-11-25
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2MHC "Nmr Structure Of The Catalytic Domain Of The Large Serine Resolvase Tnpx" 100.00 120 100.00 100.00 8.24e-80
EMBL CUP39613 "Recombinase [Flavonifractor plautii]" 99.17 707 100.00 100.00 5.33e-75
EMBL CUQ38785 "Site-specific recombinases%2C DNA invertase Pin homologs [Flavonifractor plautii]" 99.17 707 100.00 100.00 5.33e-75
GB AAB51419 "TnpX [Clostridium perfringens]" 99.17 707 100.00 100.00 5.01e-75
GB EEA83356 "TnpX site-specific recombinase [Tyzzerella nexilis DSM 1787]" 99.17 707 100.00 100.00 5.01e-75
GB EEF93031 "TnpX site-specific recombinase [Catenibacterium mitsuokai DSM 15897]" 99.17 707 97.48 99.16 2.31e-73
GB ENZ31332 "hypothetical protein HMPREF1097_05786 [ [[Clostridium] bolteae 90B8]" 99.17 707 100.00 100.00 4.56e-75
GB EQJ53319 "resolvase, N terminal domain protein [Clostridium difficile P29]" 99.17 707 100.00 100.00 4.56e-75
REF WP_002570991 "MULTISPECIES: hypothetical protein [Clostridiales]" 99.17 707 100.00 100.00 4.56e-75
REF WP_004611674 "recombinase [Tyzzerella nexilis]" 99.17 707 100.00 100.00 5.01e-75
REF WP_006506523 "recombinase [Catenibacterium mitsuokai]" 99.17 707 97.48 99.16 2.31e-73
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
$TNPX firmicutes 1502 Bacteria . CLOSTRIDIUM PERFRINGENS TN4451
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Variant
_Vector_type
_Vector_name
$TNPX 'recombinant technology' . ESCHERICHIA COLI BL21(DE3) C43 VECTOR PGEX4T2
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '0.4MM [U-98% 13C'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$TNPX 0.4 mM '[U-99% 13C; U-99% 15N]'
D2O 10 % 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
'sodium phosphate' 20 mM 'natural abundance'
H2O 90 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CNSSOLVE
_Saveframe_category software
_Name CNSSOLVE
_Version 1.2
loop_
_Vendor
_Address
_Electronic_address
'BRUNGER, ADAMS, CLORE, GROS, NILGES' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_XEASY
_Saveframe_category software
_Name XEASY
_Version 1.4
loop_
_Vendor
_Address
_Electronic_address
'Bartels et al.' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_VNMRJ
_Saveframe_category software
_Name VNMRJ
_Version .
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer VARIAN
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_3D_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HN(CA)CO_3D_CBCA(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO 3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_H(CCO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_1
save_
save_3D_(H)C(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D (H)C(CO)NH'
_Sample_label $sample_1
save_
save_3D_HC(C)H-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HC(C)H-TOCSY'
_Sample_label $sample_1
save_
save_2D_(HB)CB(CGCD)HD_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D (HB)CB(CGCD)HD'
_Sample_label $sample_1
save_
save_3D_(H)CCH-TOCSY_2D_(HB)CB(CGCDCE)HE_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D (H)CCH-TOCSY 2D (HB)CB(CGCDCE)HE'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_2D_1H-1_NOESY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1 NOESY'
_Sample_label $sample_1
save_
save_2D_1H-15N_NOE_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N NOE'
_Sample_label $sample_1
save_
save_NMR_spectrometer_expt
_Saveframe_category NMR_applied_experiment
_Experiment_name .
_BMRB_pulse_sequence_accession_number .
_Details .
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' 150 . mM
pH 7.0 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D HNCACB'
'3D H(CCO)NH'
'3D (H)C(CO)NH'
'3D 1H-15N NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name TNPX
_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 2 2 SER HA H 4.32 0.02 1
2 2 2 SER HB2 H 3.7 0.02 2
3 2 2 SER HB3 H 3.7 0.02 2
4 2 2 SER C C 174.4 0.2 1
5 2 2 SER CA C 59.2 0.2 1
6 2 2 SER CB C 64.8 0.2 1
7 3 3 ARG H H 8.59 0.02 1
8 3 3 ARG HA H 4.23 0.02 1
9 3 3 ARG HB2 H 1.63 0.02 2
10 3 3 ARG HB3 H 1.72 0.02 2
11 3 3 ARG HG2 H 1.48 0.02 2
12 3 3 ARG HG3 H 1.48 0.02 2
13 3 3 ARG HD2 H 3.04 0.02 2
14 3 3 ARG HD3 H 3.04 0.02 2
15 3 3 ARG C C 176.32 0.2 1
16 3 3 ARG CA C 57.3 0.2 1
17 3 3 ARG CB C 31.6 0.2 1
18 3 3 ARG CG C 27.82 0.2 1
19 3 3 ARG CD C 44.13 0.2 1
20 3 3 ARG N N 123.22 0.15 1
21 4 4 THR H H 8.09 0.02 1
22 4 4 THR HA H 4.27 0.02 1
23 4 4 THR HB H 4.1 0.02 1
24 4 4 THR HG2 H 1 0.02 2
25 4 4 THR C C 173.88 0.2 1
26 4 4 THR CA C 62.2 0.2 1
27 4 4 THR CB C 70.7 0.2 1
28 4 4 THR CG2 C 22.15 0.2 1
29 4 4 THR N N 114.54 0.15 1
30 5 5 SER H H 8.1 0.02 1
31 5 5 SER HA H 4.32 0.02 1
32 5 5 SER HB2 H 3.69 0.02 2
33 5 5 SER HB3 H 3.69 0.02 2
34 5 5 SER C C 174.02 0.2 1
35 5 5 SER CA C 58.9 0.2 1
36 5 5 SER CB C 64.7 0.2 1
37 5 5 SER N N 117.41 0.15 1
38 6 6 ARG H H 8.1 0.02 1
39 6 6 ARG HA H 4.29 0.02 1
40 6 6 ARG HB2 H 1.57 0.02 2
41 6 6 ARG HB3 H 1.57 0.02 2
42 6 6 ARG HG2 H 1.39 0.02 2
43 6 6 ARG HG3 H 1.65 0.02 2
44 6 6 ARG HD2 H 3 0.02 2
45 6 6 ARG HD3 H 3 0.02 2
46 6 6 ARG HE H 8.21 0.02 1
47 6 6 ARG C C 176.85 0.2 1
48 6 6 ARG CA C 57.4 0.2 1
49 6 6 ARG CB C 33.4 0.2 1
50 6 6 ARG CG C 28.92 0.2 1
51 6 6 ARG CD C 44.96 0.2 1
52 6 6 ARG N N 122.33 0.15 1
53 6 6 ARG NE N 98.36 0.15 1
54 7 7 ILE H H 8.55 0.02 1
55 7 7 ILE HA H 4.57 0.02 1
56 7 7 ILE HB H 1.91 0.02 2
57 7 7 ILE HG12 H 1.29 0.02 1
58 7 7 ILE HG2 H 0.79 0.02 2
59 7 7 ILE HD1 H 0.79 0.02 2
60 7 7 ILE C C 177.06 0.2 1
61 7 7 ILE CA C 62.23 0.2 1
62 7 7 ILE CB C 42.18 0.2 1
63 7 7 ILE CG1 C 27.7 0.2 1
64 7 7 ILE CG2 C 18.16 0.2 2
65 7 7 ILE CD1 C 15.62 0.2 2
66 7 7 ILE N N 115.27 0.15 1
67 8 8 THR H H 8.03 0.02 1
68 8 8 THR HA H 4.42 0.02 1
69 8 8 THR HB H 3.6 0.02 1
70 8 8 THR HG2 H 0.51 0.02 2
71 8 8 THR C C 172.53 0.2 1
72 8 8 THR CA C 63.1 0.2 1
73 8 8 THR CB C 69 0.2 1
74 8 8 THR CG2 C 21.94 0.2 1
75 8 8 THR N N 120.84 0.15 1
76 9 9 ALA H H 9.21 0.02 1
77 9 9 ALA HA H 4.78 0.02 1
78 9 9 ALA HB H 0.99 0.02 2
79 9 9 ALA C C 173.98 0.2 1
80 9 9 ALA CA C 51.3 0.2 1
81 9 9 ALA CB C 23.4 0.2 1
82 9 9 ALA N N 129.2 0.15 1
83 10 10 LEU H H 8.72 0.02 1
84 10 10 LEU HA H 4.83 0.02 1
85 10 10 LEU HB2 H 1.25 0.02 2
86 10 10 LEU HB3 H 1.43 0.02 2
87 10 10 LEU HG H 1.23 0.02 1
88 10 10 LEU HD1 H 0.13 0.02 2
89 10 10 LEU HD2 H 0.4 0.02 2
90 10 10 LEU C C 174.4 0.2 1
91 10 10 LEU CA C 53.8 0.2 1
92 10 10 LEU CB C 41.5 0.2 1
93 10 10 LEU CG C 28.18 0.2 1
94 10 10 LEU CD1 C 26.7 0.2 2
95 10 10 LEU CD2 C 26.05 0.2 2
96 10 10 LEU N N 124.83 0.15 1
97 11 11 TYR H H 8 0.02 1
98 11 11 TYR HA H 5.83 0.02 1
99 11 11 TYR HB2 H 2.39 0.02 2
100 11 11 TYR HB3 H 2.68 0.02 2
101 11 11 TYR C C 174.12 0.2 1
102 11 11 TYR CA C 57.1 0.2 1
103 11 11 TYR CB C 41.5 0.2 1
104 11 11 TYR N N 122.47 0.15 1
105 12 12 GLU H H 7.87 0.02 1
106 12 12 GLU HA H 4.2 0.02 1
107 12 12 GLU HB2 H 1.84 0.02 2
108 12 12 GLU HB3 H 1.84 0.02 2
109 12 12 GLU HG2 H 1.84 0.02 2
110 12 12 GLU HG3 H 1.84 0.02 2
111 12 12 GLU C C 172.72 0.2 1
112 12 12 GLU CA C 55.7 0.2 1
113 12 12 GLU CB C 30.4 0.2 1
114 12 12 GLU CG C 34.03 0.2 1
115 12 12 GLU N N 121.36 0.15 1
116 13 13 ARG H H 7.29 0.02 1
117 13 13 ARG HA H 4.87 0.02 1
118 13 13 ARG HB2 H 1.48 0.02 2
119 13 13 ARG HB3 H 1.89 0.02 2
120 13 13 ARG HG2 H 1.83 0.02 2
121 13 13 ARG HG3 H 1.92 0.02 2
122 13 13 ARG HD2 H 3.15 0.02 2
123 13 13 ARG HD3 H 3.15 0.02 2
124 13 13 ARG HE H 6.82 0.02 1
125 13 13 ARG HH11 H 7.09 0.02 2
126 13 13 ARG HH12 H 6.62 0.02 2
127 13 13 ARG C C 174.68 0.2 1
128 13 13 ARG CA C 55.8 0.2 1
129 13 13 ARG CB C 35.36 0.2 1
130 13 13 ARG CG C 27.13 0.2 1
131 13 13 ARG CD C 42.43 0.2 1
132 13 13 ARG N N 118.18 0.15 1
133 13 13 ARG NE N 77.39 0.15 1
134 13 13 ARG NH1 N 86.91 0.15 2
135 14 14 LEU H H 8.01 0.02 1
136 14 14 LEU HA H 4.39 0.02 1
137 14 14 LEU HB2 H 1.16 0.02 2
138 14 14 LEU HB3 H 1.64 0.02 2
139 14 14 LEU HG H 0.73 0.02 1
140 14 14 LEU HD1 H 0.87 0.02 2
141 14 14 LEU HD2 H 0.87 0.02 2
142 14 14 LEU C C 172.93 0.2 1
143 14 14 LEU CA C 56.4 0.2 1
144 14 14 LEU CB C 47.8 0.2 1
145 14 14 LEU CG C 26.57 0.2 1
146 14 14 LEU CD1 C 24.11 0.2 2
147 14 14 LEU CD2 C 24.27 0.2 2
148 14 14 LEU N N 131.07 0.15 1
149 15 15 SER H H 8.58 0.02 1
150 15 15 SER HA H 4.52 0.02 1
151 15 15 SER HB2 H 3.87 0.02 2
152 15 15 SER HB3 H 3.87 0.02 2
153 15 15 SER C C 175.38 0.2 1
154 15 15 SER CA C 58.3 0.2 1
155 15 15 SER CB C 65.3 0.2 1
156 15 15 SER N N 118.94 0.15 1
157 16 16 ARG H H 8.98 0.02 1
158 16 16 ARG HA H 3.96 0.02 1
159 16 16 ARG HB2 H 1.71 0.02 2
160 16 16 ARG HB3 H 1.71 0.02 2
161 16 16 ARG HG2 H 1.49 0.02 2
162 16 16 ARG HG3 H 1.49 0.02 2
163 16 16 ARG HD2 H 3.04 0.02 2
164 16 16 ARG HD3 H 3.04 0.02 2
165 16 16 ARG C C 177.41 0.2 1
166 16 16 ARG CA C 59.5 0.2 1
167 16 16 ARG CB C 30.4 0.2 1
168 16 16 ARG CG C 27.75 0.2 1
169 16 16 ARG CD C 43.99 0.2 1
170 16 16 ARG N N 123.19 0.15 1
171 17 17 ASP H H 8.16 0.02 1
172 17 17 ASP HA H 4.3 0.02 1
173 17 17 ASP HB2 H 2.44 0.02 2
174 17 17 ASP HB3 H 2.76 0.02 2
175 17 17 ASP C C 176.09 0.2 1
176 17 17 ASP CA C 54.6 0.2 1
177 17 17 ASP CB C 40.1 0.2 1
178 17 17 ASP N N 115.11 0.15 1
179 18 18 ASP H H 7.24 0.02 1
180 18 18 ASP HA H 4.3 0.02 1
181 18 18 ASP HB2 H 2.47 0.02 2
182 18 18 ASP HB3 H 2.86 0.02 2
183 18 18 ASP C C 175.75 0.2 1
184 18 18 ASP CA C 56.3 0.2 1
185 18 18 ASP CB C 42.74 0.2 1
186 18 18 ASP N N 119.39 0.15 1
187 19 19 ASP H H 8 0.02 1
188 19 19 ASP HA H 4.23 0.02 1
189 19 19 ASP HB2 H 2.34 0.02 2
190 19 19 ASP HB3 H 2.66 0.02 2
191 19 19 ASP C C 175.3 0.2 1
192 19 19 ASP CA C 56.03 0.2 1
193 19 19 ASP CB C 41.06 0.2 1
194 19 19 ASP N N 117.85 0.15 1
195 20 20 LEU H H 7.96 0.02 1
196 20 20 LEU HA H 4.38 0.02 1
197 20 20 LEU HB2 H 1.21 0.02 2
198 20 20 LEU HB3 H 1.4 0.02 2
199 20 20 LEU HG H 0.63 0.02 1
200 20 20 LEU HD1 H 0.62 0.02 2
201 20 20 LEU HD2 H 0.62 0.02 2
202 20 20 LEU C C 176.83 0.2 1
203 20 20 LEU CA C 55.1 0.2 1
204 20 20 LEU CB C 43.48 0.2 1
205 20 20 LEU CG C 25.61 0.2 1
206 20 20 LEU CD1 C 23.95 0.2 2
207 20 20 LEU CD2 C 23.97 0.2 2
208 20 20 LEU N N 120.23 0.15 1
209 21 21 THR H H 8.07 0.02 1
210 21 21 THR HA H 4.29 0.02 1
211 21 21 THR HB H 4.05 0.02 1
212 21 21 THR HG2 H 0.96 0.02 2
213 21 21 THR C C 174.9 0.2 1
214 21 21 THR CA C 61.97 0.2 1
215 21 21 THR CB C 71.2 0.2 1
216 21 21 THR CG2 C 22.22 0.2 1
217 21 21 THR N N 113.04 0.15 1
218 22 22 GLY H H 8.23 0.02 1
219 22 22 GLY HA2 H 3.99 0.02 2
220 22 22 GLY HA3 H 3.76 0.02 2
221 22 22 GLY C C 175.11 0.2 1
222 22 22 GLY CA C 45.97 0.2 1
223 22 22 GLY N N 110.1 0.15 1
224 23 23 GLU H H 8.55 0.02 1
225 23 23 GLU HA H 4 0.02 1
226 23 23 GLU HB2 H 1.85 0.02 2
227 23 23 GLU HB3 H 1.85 0.02 2
228 23 23 GLU HG2 H 2.08 0.02 2
229 23 23 GLU HG3 H 2.08 0.02 2
230 23 23 GLU C C 178.2 0.2 1
231 23 23 GLU CA C 58.9 0.2 1
232 23 23 GLU CB C 30.6 0.2 1
233 23 23 GLU CG C 36.73 0.2 1
234 23 23 GLU N N 121.94 0.15 1
235 24 24 SER H H 8.29 0.02 1
236 24 24 SER HA H 3.99 0.02 1
237 24 24 SER HB2 H 3.67 0.02 2
238 24 24 SER HB3 H 3.67 0.02 2
239 24 24 SER C C 174 0.2 1
240 24 24 SER CA C 61.61 0.2 1
241 24 24 SER CB C 63.6 0.2 1
242 24 24 SER N N 114.93 0.15 1
243 25 25 ASN H H 7.62 0.02 1
244 25 25 ASN HA H 4.73 0.02 1
245 25 25 ASN HB2 H 2.15 0.02 2
246 25 25 ASN HB3 H 2.63 0.02 2
247 25 25 ASN HD21 H 6.82 0.02 2
248 25 25 ASN HD22 H 7.26 0.02 2
249 25 25 ASN C C 174.38 0.2 1
250 25 25 ASN CA C 53.1 0.2 1
251 25 25 ASN CB C 40.8 0.2 1
252 25 25 ASN N N 117.82 0.15 1
253 25 25 ASN ND2 N 114.13 0.15 1
254 26 26 SER H H 7.51 0.02 1
255 26 26 SER HA H 4.14 0.02 1
256 26 26 SER HB2 H 3.87 0.02 2
257 26 26 SER HB3 H 4.02 0.02 2
258 26 26 SER C C 174.66 0.2 1
259 26 26 SER CA C 58.5 0.2 1
260 26 26 SER CB C 65 0.2 1
261 26 26 SER N N 115.05 0.15 1
262 27 27 ILE H H 8.96 0.02 1
263 27 27 ILE HA H 3.46 0.02 1
264 27 27 ILE HB H 1.84 0.02 1
265 27 27 ILE HG12 H 1.11 0.02 2
266 27 27 ILE HG13 H 1.11 0.02 2
267 27 27 ILE HG2 H 0.56 0.02 2
268 27 27 ILE HD1 H 0.39 0.02 2
269 27 27 ILE C C 177.54 0.2 1
270 27 27 ILE CA C 63.44 0.2 1
271 27 27 ILE CB C 36.4 0.2 1
272 27 27 ILE CG1 C 28.44 0.2 1
273 27 27 ILE CG2 C 19.11 0.2 1
274 27 27 ILE CD1 C 11.38 0.2 1
275 27 27 ILE N N 124.2 0.15 1
276 28 28 THR H H 8.03 0.02 1
277 28 28 THR HA H 3.51 0.02 1
278 28 28 THR HB H 3.77 0.02 1
279 28 28 THR HG2 H 0.98 0.02 2
280 28 28 THR C C 176.21 0.2 1
281 28 28 THR CA C 67.3 0.2 1
282 28 28 THR CB C 69.24 0.2 1
283 28 28 THR CG2 C 22.63 0.2 1
284 28 28 THR N N 114.81 0.15 1
285 29 29 ASN H H 7.64 0.02 1
286 29 29 ASN HA H 4.4 0.02 1
287 29 29 ASN HB2 H 2.51 0.02 2
288 29 29 ASN HB3 H 2.65 0.02 2
289 29 29 ASN HD21 H 6.89 0.02 2
290 29 29 ASN HD22 H 7.47 0.02 2
291 29 29 ASN C C 175.11 0.2 1
292 29 29 ASN CA C 57.1 0.2 1
293 29 29 ASN CB C 38.7 0.2 1
294 29 29 ASN N N 120.67 0.15 1
295 29 29 ASN ND2 N 114.15 0.15 1
296 30 30 GLN H H 8.62 0.02 1
297 30 30 GLN HA H 3.85 0.02 1
298 30 30 GLN HB2 H 2.01 0.02 2
299 30 30 GLN HB3 H 2.01 0.02 2
300 30 30 GLN HG2 H 1.98 0.02 2
301 30 30 GLN HG3 H 1.98 0.02 2
302 30 30 GLN HE21 H 7.72 0.02 2
303 30 30 GLN HE22 H 6.78 0.02 2
304 30 30 GLN CA C 61.51 0.2 1
305 30 30 GLN CB C 32.06 0.2 1
306 30 30 GLN CG C 36.8 0.2 1
307 30 30 GLN N N 122.18 0.15 1
308 30 30 GLN NE2 N 110.69 0.15 1
309 31 31 LYS H H 8.23 0.02 1
310 31 31 LYS HA H 3.83 0.02 1
311 31 31 LYS HB2 H 1.58 0.02 2
312 31 31 LYS HB3 H 1.2 0.02 2
313 31 31 LYS HG2 H 0.53 0.02 2
314 31 31 LYS HG3 H 1.24 0.02 2
315 31 31 LYS HD2 H 0.88 0.02 2
316 31 31 LYS HD3 H 1.06 0.02 2
317 31 31 LYS HE2 H 1.74 0.02 2
318 31 31 LYS HE3 H 2.06 0.02 2
319 31 31 LYS C C 178.37 0.2 1
320 31 31 LYS CA C 61.3 0.2 1
321 31 31 LYS CB C 33.58 0.2 1
322 31 31 LYS CG C 25.67 0.2 1
323 31 31 LYS CD C 29.96 0.2 1
324 31 31 LYS CE C 42.05 0.2 1
325 31 31 LYS N N 116.86 0.15 1
326 32 32 LYS H H 7.47 0.02 1
327 32 32 LYS HA H 3.85 0.02 1
328 32 32 LYS HB2 H 1.74 0.02 2
329 32 32 LYS HB3 H 1.74 0.02 2
330 32 32 LYS HG2 H 1.25 0.02 2
331 32 32 LYS HG3 H 1.38 0.02 2
332 32 32 LYS HD2 H 1.47 0.02 2
333 32 32 LYS HD3 H 1.47 0.02 2
334 32 32 LYS HE2 H 2.78 0.02 2
335 32 32 LYS HE3 H 2.78 0.02 2
336 32 32 LYS C C 177.84 0.2 1
337 32 32 LYS CA C 60.2 0.2 1
338 32 32 LYS CB C 33.5 0.2 1
339 32 32 LYS CG C 25.47 0.2 1
340 32 32 LYS CD C 29.68 0.2 1
341 32 32 LYS CE C 43.16 0.2 1
342 32 32 LYS N N 117.72 0.15 1
343 33 33 TYR H H 8.21 0.02 1
344 33 33 TYR HA H 4.14 0.02 1
345 33 33 TYR HB2 H 2.89 0.02 2
346 33 33 TYR HB3 H 3.16 0.02 2
347 33 33 TYR HD1 H 6.88 0.02 3
348 33 33 TYR HD2 H 6.88 0.02 3
349 33 33 TYR HE1 H 6.61 0.02 3
350 33 33 TYR HE2 H 6.61 0.02 3
351 33 33 TYR C C 178.99 0.2 1
352 33 33 TYR CA C 61.9 0.2 1
353 33 33 TYR CB C 40.25 0.2 1
354 33 33 TYR CD1 C 133.77 0.2 3
355 33 33 TYR CE1 C 118.98 0.2 3
356 33 33 TYR N N 120.23 0.15 1
357 34 34 LEU H H 8.27 0.02 1
358 34 34 LEU HA H 3.78 0.02 1
359 34 34 LEU HB2 H 1.33 0.02 2
360 34 34 LEU HB3 H 1.92 0.02 2
361 34 34 LEU HG H 1.92 0.02 1
362 34 34 LEU HD1 H 0.57 0.02 2
363 34 34 LEU HD2 H 1 0.02 2
364 34 34 LEU C C 178.37 0.2 1
365 34 34 LEU CA C 59 0.2 1
366 34 34 LEU CB C 43 0.2 1
367 34 34 LEU CG C 28.76 0.2 1
368 34 34 LEU CD1 C 24.69 0.2 2
369 34 34 LEU CD2 C 26.91 0.2 2
370 34 34 LEU N N 117.68 0.15 1
371 35 35 GLU H H 8.49 0.02 1
372 35 35 GLU HA H 3.6 0.02 1
373 35 35 GLU HB2 H 1.99 0.02 2
374 35 35 GLU HB3 H 1.99 0.02 2
375 35 35 GLU HG2 H 2.08 0.02 2
376 35 35 GLU HG3 H 2.3 0.02 2
377 35 35 GLU C C 178.48 0.2 1
378 35 35 GLU CA C 61.5 0.2 1
379 35 35 GLU CB C 30.4 0.2 1
380 35 35 GLU CG C 38.05 0.2 1
381 35 35 GLU N N 120.04 0.15 1
382 36 36 ASP H H 8.41 0.02 1
383 36 36 ASP HA H 4.2 0.02 1
384 36 36 ASP HB2 H 2.41 0.02 2
385 36 36 ASP HB3 H 2.64 0.02 2
386 36 36 ASP CA C 58.4 0.2 1
387 36 36 ASP CB C 41.4 0.2 1
388 36 36 ASP N N 119.54 0.15 1
389 37 37 TYR H H 7.56 0.02 1
390 37 37 TYR HA H 3.58 0.02 1
391 37 37 TYR HB2 H 2.68 0.02 2
392 37 37 TYR HB3 H 2.83 0.02 2
393 37 37 TYR HD1 H 6.66 0.02 3
394 37 37 TYR HD2 H 6.66 0.02 3
395 37 37 TYR HE1 H 6.53 0.02 3
396 37 37 TYR HE2 H 6.53 0.02 3
397 37 37 TYR C C 178.27 0.2 1
398 37 37 TYR CA C 63 0.2 1
399 37 37 TYR CB C 39.66 0.2 1
400 37 37 TYR CD1 C 133.64 0.2 3
401 37 37 TYR CE1 C 119.56 0.2 3
402 37 37 TYR N N 120.12 0.15 1
403 38 38 ALA H H 8.74 0.02 1
404 38 38 ALA HA H 3.92 0.02 1
405 38 38 ALA HB H 1.36 0.02 2
406 38 38 ALA C C 178.77 0.2 1
407 38 38 ALA CA C 56.1 0.2 1
408 38 38 ALA CB C 18.9 0.2 1
409 38 38 ALA N N 122.29 0.15 1
410 39 39 ARG H H 8.39 0.02 1
411 39 39 ARG HA H 3.94 0.02 1
412 39 39 ARG HB2 H 1.71 0.02 2
413 39 39 ARG HB3 H 1.78 0.02 2
414 39 39 ARG HG2 H 1.42 0.02 2
415 39 39 ARG HG3 H 1.63 0.02 2
416 39 39 ARG HD2 H 3.06 0.02 2
417 39 39 ARG HD3 H 3.06 0.02 2
418 39 39 ARG C C 180.55 0.2 1
419 39 39 ARG CA C 60.2 0.2 1
420 39 39 ARG CB C 30.6 0.2 1
421 39 39 ARG CG C 28.85 0.2 1
422 39 39 ARG CD C 43.92 0.2 1
423 39 39 ARG N N 117.07 0.15 1
424 40 40 ARG H H 8.03 0.02 1
425 40 40 ARG HA H 3.85 0.02 1
426 40 40 ARG HB2 H 1.47 0.02 2
427 40 40 ARG HB3 H 1.61 0.02 2
428 40 40 ARG HG2 H 1.39 0.02 2
429 40 40 ARG HG3 H 1.39 0.02 2
430 40 40 ARG HD2 H 2.91 0.02 2
431 40 40 ARG HD3 H 2.95 0.02 2
432 40 40 ARG C C 177.01 0.2 1
433 40 40 ARG CA C 59.5 0.2 1
434 40 40 ARG CB C 30.7 0.2 1
435 40 40 ARG CG C 28.51 0.2 1
436 40 40 ARG CD C 44.2 0.2 1
437 40 40 ARG N N 118.99 0.15 1
438 41 41 ASN H H 7.02 0.02 1
439 41 41 ASN HA H 4.32 0.02 1
440 41 41 ASN HB2 H 1.85 0.02 2
441 41 41 ASN HB3 H 2.27 0.02 2
442 41 41 ASN HD21 H 6.07 0.02 2
443 41 41 ASN HD22 H 6.07 0.02 2
444 41 41 ASN C C 173.55 0.2 1
445 41 41 ASN CA C 54.4 0.2 1
446 41 41 ASN CB C 40.7 0.2 1
447 41 41 ASN N N 113.57 0.15 1
448 41 41 ASN ND2 N 114.65 0.15 1
449 42 42 GLY H H 7.23 0.02 1
450 42 42 GLY HA2 H 3.57 0.02 2
451 42 42 GLY HA3 H 3.57 0.02 2
452 42 42 GLY C C 174.12 0.2 1
453 42 42 GLY CA C 47.3 0.2 1
454 42 42 GLY N N 106.67 0.15 1
455 43 43 PHE H H 7.87 0.02 1
456 43 43 PHE HA H 4.34 0.02 1
457 43 43 PHE HB2 H 2.41 0.02 2
458 43 43 PHE HB3 H 3.35 0.02 2
459 43 43 PHE HD1 H 7.1 0.02 3
460 43 43 PHE HD2 H 7.1 0.02 3
461 43 43 PHE HE1 H 7.04 0.02 3
462 43 43 PHE HE2 H 7.04 0.02 3
463 43 43 PHE C C 174.9 0.2 1
464 43 43 PHE CA C 59 0.2 1
465 43 43 PHE CB C 39.5 0.2 1
466 43 43 PHE CD1 C 132.11 0.2 3
467 43 43 PHE CE1 C 138.48 0.2 3
468 43 43 PHE N N 119.36 0.15 1
469 44 44 GLU H H 8.51 0.02 1
470 44 44 GLU HA H 4.37 0.02 1
471 44 44 GLU HB2 H 1.68 0.02 2
472 44 44 GLU HB3 H 1.9 0.02 2
473 44 44 GLU HG2 H 1.96 0.02 2
474 44 44 GLU HG3 H 2.04 0.02 2
475 44 44 GLU C C 175.87 0.2 1
476 44 44 GLU CA C 55.51 0.2 1
477 44 44 GLU CB C 33.7 0.2 1
478 44 44 GLU CG C 37.01 0.2 1
479 44 44 GLU N N 119.76 0.15 1
480 45 45 ASN H H 8.71 0.02 1
481 45 45 ASN HA H 4.16 0.02 1
482 45 45 ASN HB2 H 2.87 0.02 2
483 45 45 ASN HB3 H 2.87 0.02 2
484 45 45 ASN HD21 H 6.69 0.02 2
485 45 45 ASN HD22 H 6.94 0.02 2
486 45 45 ASN C C 174.73 0.2 1
487 45 45 ASN CA C 54.2 0.2 1
488 45 45 ASN CB C 37.7 0.2 1
489 45 45 ASN N N 118.28 0.15 1
490 45 45 ASN ND2 N 113.35 0.15 1
491 46 46 ILE H H 7.84 0.02 1
492 46 46 ILE HA H 4.38 0.02 1
493 46 46 ILE HB H 1.39 0.02 1
494 46 46 ILE HG12 H 0.68 0.02 2
495 46 46 ILE HG13 H 1.22 0.02 2
496 46 46 ILE HG2 H 0.37 0.02 2
497 46 46 ILE HD1 H 0.56 0.02 2
498 46 46 ILE C C 177.37 0.2 1
499 46 46 ILE CA C 62.3 0.2 1
500 46 46 ILE CB C 39.9 0.2 1
501 46 46 ILE CG1 C 28.92 0.2 1
502 46 46 ILE CG2 C 19.11 0.2 1
503 46 46 ILE CD1 C 15.03 0.2 1
504 46 46 ILE N N 117.44 0.15 1
505 47 47 ARG H H 8.44 0.02 1
506 47 47 ARG HA H 4.25 0.02 1
507 47 47 ARG HB2 H 1.37 0.02 2
508 47 47 ARG HB3 H 1.47 0.02 2
509 47 47 ARG HG2 H 1 0.02 2
510 47 47 ARG HG3 H 1.35 0.02 2
511 47 47 ARG HD2 H 2.86 0.02 2
512 47 47 ARG HD3 H 2.86 0.02 2
513 47 47 ARG C C 173.9 0.2 1
514 47 47 ARG CA C 55.9 0.2 1
515 47 47 ARG CB C 35.1 0.2 1
516 47 47 ARG CG C 27.3 0.2 1
517 47 47 ARG CD C 44.13 0.2 1
518 47 47 ARG N N 126.6 0.15 1
519 48 48 HIS H H 8.53 0.02 1
520 48 48 HIS HA H 5.18 0.02 1
521 48 48 HIS HB2 H 2.64 0.02 2
522 48 48 HIS HB3 H 2.97 0.02 2
523 48 48 HIS HD2 H 6.89 0.02 1
524 48 48 HIS HE1 H 7.68 0.02 1
525 48 48 HIS C C 175.37 0.2 1
526 48 48 HIS CA C 57.5 0.2 1
527 48 48 HIS CB C 32.5 0.2 1
528 48 48 HIS CD2 C 119.52 0.2 1
529 48 48 HIS CE1 C 138.48 0.2 1
530 48 48 HIS N N 122.6 0.15 1
531 49 49 PHE H H 9.34 0.02 1
532 49 49 PHE HA H 4.48 0.02 1
533 49 49 PHE HB2 H 2.74 0.02 2
534 49 49 PHE HB3 H 2.93 0.02 2
535 49 49 PHE HD1 H 7.17 0.02 3
536 49 49 PHE HD2 H 7.17 0.02 3
537 49 49 PHE HE1 H 6.87 0.02 3
538 49 49 PHE HE2 H 6.87 0.02 3
539 49 49 PHE HZ H 6.74 0.02 1
540 49 49 PHE C C 173.76 0.2 1
541 49 49 PHE CA C 58.4 0.2 1
542 49 49 PHE CB C 42.5 0.2 1
543 49 49 PHE CD1 C 133.7 0.2 3
544 49 49 PHE CE1 C 131.44 0.2 3
545 49 49 PHE CZ C 128.89 0.2 1
546 49 49 PHE N N 124.09 0.15 1
547 50 50 THR H H 8.53 0.02 1
548 50 50 THR HA H 4.72 0.02 1
549 50 50 THR HB H 3.55 0.02 1
550 50 50 THR HG2 H 1 0.02 2
551 50 50 THR C C 172.64 0.2 1
552 50 50 THR CA C 63.2 0.2 1
553 50 50 THR CB C 72.3 0.2 1
554 50 50 THR CG2 C 24.36 0.2 1
555 50 50 THR N N 117.9 0.15 1
556 51 51 ASP H H 8.56 0.02 1
557 51 51 ASP HA H 5.27 0.02 1
558 51 51 ASP HB2 H 2.47 0.02 2
559 51 51 ASP HB3 H 2.47 0.02 2
560 51 51 ASP C C 173.53 0.2 1
561 51 51 ASP CA C 55 0.2 1
562 51 51 ASP CB C 44.3 0.2 1
563 51 51 ASP N N 127.24 0.15 1
564 52 52 ASP H H 9.21 0.02 1
565 52 52 ASP HA H 4.51 0.02 1
566 52 52 ASP HB2 H 2.09 0.02 2
567 52 52 ASP HB3 H 2.92 0.02 2
568 52 52 ASP C C 175.09 0.2 1
569 52 52 ASP CA C 54.85 0.2 1
570 52 52 ASP CB C 42.1 0.2 1
571 52 52 ASP N N 125.7 0.15 1
572 53 53 GLY H H 8.66 0.02 1
573 53 53 GLY HA2 H 4.01 0.02 2
574 53 53 GLY HA3 H 3.63 0.02 2
575 53 53 GLY C C 173.95 0.2 1
576 53 53 GLY CA C 46.6 0.2 1
577 53 53 GLY N N 113.64 0.15 1
578 54 54 PHE H H 6.78 0.02 1
579 54 54 PHE HA H 4.48 0.02 1
580 54 54 PHE HB2 H 3.08 0.02 2
581 54 54 PHE HB3 H 3.08 0.02 2
582 54 54 PHE HD1 H 6.96 0.02 3
583 54 54 PHE HD2 H 6.96 0.02 3
584 54 54 PHE HE1 H 7.34 0.02 3
585 54 54 PHE HE2 H 7.34 0.02 3
586 54 54 PHE HZ H 5.23 0.02 1
587 54 54 PHE C C 174.24 0.2 1
588 54 54 PHE CA C 58.2 0.2 1
589 54 54 PHE CB C 42.9 0.2 1
590 54 54 PHE CD1 C 132.58 0.2 3
591 54 54 PHE CE1 C 133.01 0.2 3
592 54 54 PHE CZ C 130.98 0.2 1
593 54 54 PHE N N 116.49 0.15 1
594 55 55 SER H H 8.62 0.02 1
595 55 55 SER HA H 4.19 0.02 1
596 55 55 SER HB2 H 3.4 0.02 2
597 55 55 SER HB3 H 3.94 0.02 2
598 55 55 SER C C 175.49 0.2 1
599 55 55 SER CA C 59 0.2 1
600 55 55 SER CB C 63.6 0.2 1
601 55 55 SER N N 118.16 0.15 1
602 56 56 GLY H H 8.99 0.02 1
603 56 56 GLY HA2 H 4.01 0.02 2
604 56 56 GLY HA3 H 3.15 0.02 2
605 56 56 GLY CA C 45.8 0.2 1
606 56 56 GLY N N 113.64 0.15 1
607 57 57 VAL H H 8.25 0.02 1
608 57 57 VAL HA H 3.62 0.02 1
609 57 57 VAL HB H 2.03 0.02 1
610 57 57 VAL HG1 H 0.73 0.02 2
611 57 57 VAL HG2 H 0.7 0.02 2
612 57 57 VAL C C 173.8 0.2 1
613 57 57 VAL CA C 64.55 0.2 1
614 57 57 VAL CB C 32.61 0.2 1
615 57 57 VAL CG1 C 20.6 0.2 2
616 57 57 VAL CG2 C 21.73 0.2 2
617 57 57 VAL N N 118.02 0.15 1
618 58 58 ASN H H 6.83 0.02 1
619 58 58 ASN HA H 4.48 0.02 1
620 58 58 ASN HB2 H 2.61 0.02 2
621 58 58 ASN HB3 H 2.85 0.02 2
622 58 58 ASN HD21 H 7.04 0.02 2
623 58 58 ASN HD22 H 7.64 0.02 2
624 58 58 ASN C C 174.31 0.2 1
625 58 58 ASN CA C 52.52 0.2 1
626 58 58 ASN CB C 41.9 0.2 1
627 58 58 ASN N N 112.78 0.15 1
628 58 58 ASN ND2 N 116.67 0.15 1
629 59 59 PHE H H 8.95 0.02 1
630 59 59 PHE HA H 3.94 0.02 1
631 59 59 PHE HB2 H 2.52 0.02 2
632 59 59 PHE HB3 H 3.29 0.02 2
633 59 59 PHE HD1 H 6.33 0.02 3
634 59 59 PHE HD2 H 6.33 0.02 3
635 59 59 PHE HE1 H 6.79 0.02 3
636 59 59 PHE HE2 H 6.79 0.02 3
637 59 59 PHE C C 175.31 0.2 1
638 59 59 PHE CA C 59.3 0.2 1
639 59 59 PHE CB C 38.6 0.2 1
640 59 59 PHE CD1 C 133.05 0.2 3
641 59 59 PHE CE1 C 131.67 0.2 3
642 59 59 PHE N N 118.57 0.15 1
643 60 60 ASN H H 8.62 0.02 1
644 60 60 ASN HA H 4.73 0.02 1
645 60 60 ASN HB2 H 2.55 0.02 2
646 60 60 ASN HB3 H 2.75 0.02 2
647 60 60 ASN HD21 H 6.82 0.02 2
648 60 60 ASN HD22 H 7.49 0.02 2
649 60 60 ASN C C 172.86 0.2 1
650 60 60 ASN CA C 53 0.2 1
651 60 60 ASN CB C 37.1 0.2 1
652 60 60 ASN N N 124.69 0.15 1
653 60 60 ASN ND2 N 111.51 0.15 1
654 61 61 ARG H H 7.44 0.02 1
655 61 61 ARG HA H 4.4 0.02 1
656 61 61 ARG HB2 H 1.36 0.02 2
657 61 61 ARG HB3 H 1.5 0.02 2
658 61 61 ARG HG2 H 1.16 0.02 2
659 61 61 ARG HG3 H 1.51 0.02 2
660 61 61 ARG HD2 H 2.69 0.02 2
661 61 61 ARG HD3 H 2.69 0.02 2
662 61 61 ARG CA C 50.59 0.2 1
663 61 61 ARG CB C 32.06 0.2 1
664 61 61 ARG CG C 28.48 0.2 1
665 61 61 ARG CD C 44.96 0.2 1
666 61 61 ARG N N 119.26 0.15 1
667 62 62 PRO HA H 4.15 0.02 1
668 62 62 PRO HB2 H 1.86 0.02 2
669 62 62 PRO HB3 H 2.12 0.02 2
670 62 62 PRO HG2 H 1.8 0.02 2
671 62 62 PRO HG3 H 1.93 0.02 2
672 62 62 PRO HD2 H 2.2 0.02 2
673 62 62 PRO HD3 H 3.04 0.02 2
674 62 62 PRO C C 179.79 0.2 1
675 62 62 PRO CA C 66.2 0.2 1
676 62 62 PRO CB C 32.9 0.2 1
677 62 62 PRO CG C 27.82 0.2 1
678 62 62 PRO CD C 51.81 0.2 1
679 63 63 GLY H H 10.74 0.02 1
680 63 63 GLY HA2 H 3.91 0.02 2
681 63 63 GLY HA3 H 3.4 0.02 2
682 63 63 GLY C C 176.58 0.2 1
683 63 63 GLY CA C 47.7 0.2 1
684 63 63 GLY N N 117.02 0.15 1
685 64 64 PHE H H 9.18 0.02 1
686 64 64 PHE HA H 3.56 0.02 1
687 64 64 PHE HB2 H 2.75 0.02 2
688 64 64 PHE HB3 H 3.02 0.02 2
689 64 64 PHE HD1 H 6.43 0.02 3
690 64 64 PHE HD2 H 6.43 0.02 3
691 64 64 PHE HE1 H 6.48 0.02 3
692 64 64 PHE HE2 H 6.48 0.02 3
693 64 64 PHE HZ H 5.34 0.02 1
694 64 64 PHE C C 176.33 0.2 1
695 64 64 PHE CA C 63.3 0.2 1
696 64 64 PHE CB C 40.6 0.2 1
697 64 64 PHE N N 125.39 0.15 1
698 65 65 GLN H H 8.48 0.02 1
699 65 65 GLN HA H 3.69 0.02 1
700 65 65 GLN HB2 H 1.99 0.02 2
701 65 65 GLN HB3 H 1.99 0.02 2
702 65 65 GLN HG2 H 2.61 0.02 2
703 65 65 GLN HG3 H 2.61 0.02 2
704 65 65 GLN C C 179.24 0.2 1
705 65 65 GLN CA C 60.1 0.2 1
706 65 65 GLN CB C 28.4 0.2 1
707 65 65 GLN CG C 35.28 0.2 1
708 65 65 GLN N N 115.56 0.15 1
709 66 66 SER H H 8.01 0.02 1
710 66 66 SER HA H 4.08 0.02 1
711 66 66 SER HB2 H 4.13 0.02 2
712 66 66 SER HB3 H 4.17 0.02 2
713 66 66 SER C C 175.92 0.2 1
714 66 66 SER CA C 62.93 0.2 1
715 66 66 SER CB C 63.88 0.2 1
716 66 66 SER N N 116.7 0.15 1
717 67 67 LEU H H 7.83 0.02 1
718 67 67 LEU HA H 2.82 0.02 1
719 67 67 LEU HB2 H 0.35 0.02 2
720 67 67 LEU HB3 H 1.51 0.02 2
721 67 67 LEU HG H 0.43 0.02 1
722 67 67 LEU HD1 H -0.23 0.02 2
723 67 67 LEU HD2 H 0.07 0.02 2
724 67 67 LEU C C 177.79 0.2 1
725 67 67 LEU CA C 58.4 0.2 1
726 67 67 LEU CB C 41.1 0.2 1
727 67 67 LEU CG C 27.7 0.2 1
728 67 67 LEU CD1 C 23.89 0.2 2
729 67 67 LEU CD2 C 26.58 0.2 2
730 67 67 LEU N N 124.1 0.15 1
731 68 68 ILE H H 8.03 0.02 1
732 68 68 ILE HA H 3.24 0.02 1
733 68 68 ILE HB H 1.67 0.02 1
734 68 68 ILE HG12 H 0.55 0.02 2
735 68 68 ILE HG13 H 0.55 0.02 2
736 68 68 ILE HG2 H 0.67 0.02 2
737 68 68 ILE HD1 H 0.02 0.02 2
738 68 68 ILE C C 177.73 0.2 1
739 68 68 ILE CA C 62.1 0.2 1
740 68 68 ILE CB C 35.1 0.2 1
741 68 68 ILE CG1 C 27.62 0.2 1
742 68 68 ILE CG2 C 18.83 0.2 1
743 68 68 ILE CD1 C 9.22 0.2 1
744 68 68 ILE N N 118.61 0.15 1
745 69 69 LYS H H 7.5 0.02 1
746 69 69 LYS HA H 3.9 0.02 1
747 69 69 LYS HB2 H 1.81 0.02 2
748 69 69 LYS HB3 H 1.81 0.02 2
749 69 69 LYS HG2 H 1.41 0.02 2
750 69 69 LYS HG3 H 1.25 0.02 2
751 69 69 LYS HD2 H 1.52 0.02 2
752 69 69 LYS HD3 H 1.52 0.02 2
753 69 69 LYS HE2 H 2.81 0.02 2
754 69 69 LYS HE3 H 2.81 0.02 2
755 69 69 LYS C C 180.05 0.2 1
756 69 69 LYS CA C 60.8 0.2 1
757 69 69 LYS CB C 32.6 0.2 1
758 69 69 LYS CG C 25.67 0.2 1
759 69 69 LYS CD C 29.82 0.2 1
760 69 69 LYS CE C 43.05 0.2 1
761 69 69 LYS N N 120.68 0.15 1
762 70 70 GLU H H 7.3 0.02 1
763 70 70 GLU HA H 4.06 0.02 1
764 70 70 GLU HB2 H 1.8 0.02 2
765 70 70 GLU HB3 H 1.8 0.02 2
766 70 70 GLU C C 178.86 0.2 1
767 70 70 GLU CA C 59.5 0.2 1
768 70 70 GLU CB C 29.7 0.2 1
769 70 70 GLU CG C 35.97 0.2 1
770 70 70 GLU N N 118.7 0.15 1
771 71 71 VAL H H 8.38 0.02 1
772 71 71 VAL HA H 3.48 0.02 1
773 71 71 VAL HB H 2.22 0.02 1
774 71 71 VAL HG1 H 0.68 0.02 2
775 71 71 VAL HG2 H 0.48 0.02 2
776 71 71 VAL C C 180.38 0.2 1
777 71 71 VAL CA C 66.1 0.2 1
778 71 71 VAL CB C 32.2 0.2 1
779 71 71 VAL CG1 C 22.11 0.2 2
780 71 71 VAL CG2 C 22.92 0.2 2
781 71 71 VAL N N 121.57 0.15 1
782 72 72 GLU H H 9.01 0.02 1
783 72 72 GLU HA H 3.56 0.02 1
784 72 72 GLU HB2 H 1.84 0.02 2
785 72 72 GLU HB3 H 1.84 0.02 2
786 72 72 GLU HG2 H 1.97 0.02 2
787 72 72 GLU HG3 H 2.37 0.02 2
788 72 72 GLU C C 177.47 0.2 1
789 72 72 GLU CA C 60.8 0.2 1
790 72 72 GLU CB C 30.44 0.2 1
791 72 72 GLU CG C 38.39 0.2 1
792 72 72 GLU N N 120.09 0.15 1
793 73 73 ALA H H 7.32 0.02 1
794 73 73 ALA HA H 4.12 0.02 1
795 73 73 ALA HB H 1.32 0.02 2
796 73 73 ALA C C 177.35 0.2 1
797 73 73 ALA CA C 53.4 0.2 1
798 73 73 ALA CB C 20 0.2 1
799 73 73 ALA N N 118.56 0.15 1
800 74 74 GLY H H 7.69 0.02 1
801 74 74 GLY HA2 H 4.05 0.02 2
802 74 74 GLY HA3 H 3.8 0.02 2
803 74 74 GLY C C 176.28 0.2 1
804 74 74 GLY CA C 46.5 0.2 1
805 74 74 GLY N N 105.06 0.15 1
806 75 75 ASN H H 7.71 0.02 1
807 75 75 ASN HA H 4.7 0.02 1
808 75 75 ASN HB2 H 2.62 0.02 2
809 75 75 ASN HB3 H 3.04 0.02 2
810 75 75 ASN HD21 H 6.62 0.02 2
811 75 75 ASN HD22 H 7.97 0.02 2
812 75 75 ASN C C 174.1 0.2 1
813 75 75 ASN CA C 54.4 0.2 1
814 75 75 ASN CB C 40.6 0.2 1
815 75 75 ASN N N 115.69 0.15 1
816 75 75 ASN ND2 N 112.67 0.15 1
817 76 76 VAL H H 8.15 0.02 1
818 76 76 VAL HA H 3.95 0.02 1
819 76 76 VAL HB H 1.62 0.02 1
820 76 76 VAL HG1 H 0.37 0.02 2
821 76 76 VAL HG2 H 0.37 0.02 2
822 76 76 VAL C C 173.19 0.2 1
823 76 76 VAL CA C 62.7 0.2 1
824 76 76 VAL CB C 34.2 0.2 1
825 76 76 VAL CG1 C 22.19 0.2 2
826 76 76 VAL CG2 C 23.12 0.2 2
827 76 76 VAL N N 120.71 0.15 1
828 77 77 GLU H H 9.04 0.02 1
829 77 77 GLU HA H 4.32 0.02 1
830 77 77 GLU HB2 H 1.68 0.02 2
831 77 77 GLU HB3 H 1.81 0.02 2
832 77 77 GLU HG2 H 2.06 0.02 2
833 77 77 GLU HG3 H 2.06 0.02 2
834 77 77 GLU C C 175.85 0.2 1
835 77 77 GLU CA C 58.6 0.2 1
836 77 77 GLU CB C 32.1 0.2 1
837 77 77 GLU CG C 36.94 0.2 1
838 77 77 GLU N N 127.93 0.15 1
839 78 78 THR H H 7.15 0.02 1
840 78 78 THR HA H 5.01 0.02 1
841 78 78 THR HB H 3.29 0.02 1
842 78 78 THR HG2 H 0.51 0.02 2
843 78 78 THR C C 170.34 0.2 1
844 78 78 THR CA C 61.5 0.2 1
845 78 78 THR CB C 72.1 0.2 1
846 78 78 THR CG2 C 22.36 0.2 1
847 78 78 THR N N 115.08 0.15 1
848 79 79 LEU H H 8.81 0.02 1
849 79 79 LEU HA H 5.11 0.02 1
850 79 79 LEU HB2 H 0.52 0.02 2
851 79 79 LEU HB3 H 1.12 0.02 2
852 79 79 LEU HG H 1.22 0.02 1
853 79 79 LEU HD1 H 0.3 0.02 2
854 79 79 LEU HD2 H 0.36 0.02 2
855 79 79 LEU C C 172.64 0.2 1
856 79 79 LEU CA C 54.2 0.2 1
857 79 79 LEU CB C 46.3 0.2 1
858 79 79 LEU CG C 29.22 0.2 1
859 79 79 LEU CD1 C 26.54 0.2 2
860 79 79 LEU CD2 C 27.04 0.2 2
861 79 79 LEU N N 130.19 0.15 1
862 80 80 ILE H H 8.76 0.02 1
863 80 80 ILE HA H 4.89 0.02 1
864 80 80 ILE HB H 1.36 0.02 1
865 80 80 ILE HG12 H 0.39 0.02 2
866 80 80 ILE HG13 H 1.05 0.02 2
867 80 80 ILE HG2 H 0.4 0.02 2
868 80 80 ILE HD1 H 0.12 0.02 2
869 80 80 ILE C C 174.26 0.2 1
870 80 80 ILE CA C 60.5 0.2 1
871 80 80 ILE CB C 40.6 0.2 1
872 80 80 ILE CG1 C 28.37 0.2 1
873 80 80 ILE CG2 C 19.11 0.2 1
874 80 80 ILE CD1 C 13.4 0.2 1
875 80 80 ILE N N 125.29 0.15 1
876 81 81 VAL H H 8.03 0.02 1
877 81 81 VAL HA H 4.91 0.02 1
878 81 81 VAL HB H 2.17 0.02 1
879 81 81 VAL HG1 H 0.71 0.02 2
880 81 81 VAL HG2 H 1.18 0.02 2
881 81 81 VAL C C 175.31 0.2 1
882 81 81 VAL CA C 59.1 0.2 1
883 81 81 VAL CB C 37.6 0.2 1
884 81 81 VAL CG1 C 21.39 0.2 2
885 81 81 VAL CG2 C 24.28 0.2 2
886 81 81 VAL N N 114.53 0.15 1
887 82 82 LYS H H 9.54 0.02 1
888 82 82 LYS HA H 3.65 0.02 1
889 82 82 LYS HB2 H 1.59 0.02 2
890 82 82 LYS HB3 H 1.59 0.02 2
891 82 82 LYS HG2 H 1.1 0.02 2
892 82 82 LYS HG3 H 1.1 0.02 2
893 82 82 LYS HD2 H 1.35 0.02 2
894 82 82 LYS HD3 H 1.17 0.02 2
895 82 82 LYS HE2 H 2.12 0.02 2
896 82 82 LYS HE3 H 2.31 0.02 2
897 82 82 LYS C C 174.47 0.2 1
898 82 82 LYS CA C 61.5 0.2 1
899 82 82 LYS CB C 34.3 0.2 1
900 82 82 LYS CG C 26.23 0.2 1
901 82 82 LYS CD C 31.13 0.2 1
902 82 82 LYS CE C 42.27 0.2 1
903 82 82 LYS N N 122.73 0.15 1
904 83 83 ASP H H 7.08 0.02 1
905 83 83 ASP HA H 4.56 0.02 1
906 83 83 ASP HB2 H 2.72 0.02 2
907 83 83 ASP HB3 H 2.77 0.02 2
908 83 83 ASP C C 175.31 0.2 1
909 83 83 ASP CA C 53.8 0.2 1
910 83 83 ASP CB C 44.4 0.2 1
911 83 83 ASP N N 108.02 0.15 1
912 84 84 MET H H 9.29 0.02 1
913 84 84 MET HA H 4.19 0.02 1
914 84 84 MET HB2 H 2.03 0.02 2
915 84 84 MET HB3 H 2.03 0.02 2
916 84 84 MET HG2 H 2.43 0.02 2
917 84 84 MET HG3 H 2.6 0.02 2
918 84 84 MET HE H 1.94 0.02 2
919 84 84 MET C C 177.91 0.2 1
920 84 84 MET CA C 59 0.2 1
921 84 84 MET CB C 32.46 0.2 1
922 84 84 MET CG C 32.93 0.2 1
923 84 84 MET CE C 17.61 0.2 1
924 84 84 MET N N 120.99 0.15 1
925 85 85 SER H H 8.52 0.02 1
926 85 85 SER HA H 4.31 0.02 1
927 85 85 SER HB2 H 3.7 0.02 2
928 85 85 SER HB3 H 3.91 0.02 2
929 85 85 SER C C 177.01 0.2 1
930 85 85 SER CA C 61.7 0.2 1
931 85 85 SER CB C 63.9 0.2 1
932 85 85 SER N N 113.93 0.15 1
933 86 86 ARG H H 7.99 0.02 1
934 86 86 ARG HA H 3.72 0.02 1
935 86 86 ARG HB2 H 1.83 0.02 2
936 86 86 ARG HB3 H 2.21 0.02 2
937 86 86 ARG HG2 H 2.13 0.02 2
938 86 86 ARG HG3 H 2.52 0.02 2
939 86 86 ARG HD2 H 3.18 0.02 2
940 86 86 ARG HD3 H 3.18 0.02 2
941 86 86 ARG C C 179.51 0.2 1
942 86 86 ARG CA C 59.36 0.2 1
943 86 86 ARG CB C 33.58 0.2 1
944 86 86 ARG CG C 25.82 0.2 1
945 86 86 ARG CD C 44.65 0.2 1
946 86 86 ARG N N 120.92 0.15 1
947 87 87 LEU H H 7.4 0.02 1
948 87 87 LEU HA H 3.91 0.02 1
949 87 87 LEU HB2 H 1.77 0.02 2
950 87 87 LEU HB3 H 1.77 0.02 2
951 87 87 LEU HG H 1.63 0.02 1
952 87 87 LEU HD1 H 0.75 0.02 2
953 87 87 LEU HD2 H 0.68 0.02 2
954 87 87 LEU C C 177.08 0.2 1
955 87 87 LEU CA C 59.1 0.2 1
956 87 87 LEU CB C 43.7 0.2 1
957 87 87 LEU CG C 28.41 0.2 1
958 87 87 LEU CD1 C 26.59 0.2 2
959 87 87 LEU CD2 C 25.74 0.2 2
960 87 87 LEU N N 117.29 0.15 1
961 88 88 GLY H H 7.43 0.02 1
962 88 88 GLY HA2 H 3.6 0.02 2
963 88 88 GLY HA3 H 3.42 0.02 2
964 88 88 GLY C C 169.84 0.2 1
965 88 88 GLY CA C 46.2 0.2 1
966 88 88 GLY N N 102.42 0.15 1
967 89 89 ARG H H 7.16 0.02 1
968 89 89 ARG HA H 4.04 0.02 1
969 89 89 ARG HB2 H 1.12 0.02 2
970 89 89 ARG HB3 H 1.62 0.02 2
971 89 89 ARG HG2 H 1.26 0.02 2
972 89 89 ARG HG3 H 1.26 0.02 2
973 89 89 ARG HD2 H 2.91 0.02 2
974 89 89 ARG HD3 H 2.95 0.02 2
975 89 89 ARG C C 177.54 0.2 1
976 89 89 ARG CA C 57 0.2 1
977 89 89 ARG CB C 32.61 0.2 1
978 89 89 ARG CG C 27.96 0.2 1
979 89 89 ARG CD C 43.85 0.2 1
980 89 89 ARG N N 115.91 0.15 1
981 90 90 ASN H H 7.93 0.02 1
982 90 90 ASN HA H 4.62 0.02 1
983 90 90 ASN HB2 H 2.58 0.02 2
984 90 90 ASN HB3 H 2.82 0.02 2
985 90 90 ASN HD21 H 6.81 0.02 2
986 90 90 ASN HD22 H 7.49 0.02 2
987 90 90 ASN C C 175.42 0.2 1
988 90 90 ASN CA C 53.35 0.2 1
989 90 90 ASN CB C 39.46 0.2 1
990 90 90 ASN N N 117.42 0.15 1
991 90 90 ASN ND2 N 112.75 0.15 1
992 91 91 TYR H H 8.59 0.02 1
993 91 91 TYR HA H 3.99 0.02 1
994 91 91 TYR HB2 H 2.87 0.02 2
995 91 91 TYR HB3 H 2.94 0.02 2
996 91 91 TYR HD1 H 6.9 0.02 3
997 91 91 TYR HD2 H 6.9 0.02 3
998 91 91 TYR HE1 H 6.65 0.02 3
999 91 91 TYR HE2 H 6.65 0.02 3
1000 91 91 TYR C C 177.47 0.2 1
1001 91 91 TYR CA C 61.97 0.2 1
1002 91 91 TYR CB C 38.29 0.2 1
1003 91 91 TYR CD1 C 133.61 0.2 3
1004 91 91 TYR CE1 C 119.28 0.2 3
1005 91 91 TYR N N 126.42 0.15 1
1006 92 92 LEU H H 7.86 0.02 1
1007 92 92 LEU HA H 3.84 0.02 1
1008 92 92 LEU HB2 H 1.53 0.02 2
1009 92 92 LEU HB3 H 1.3 0.02 2
1010 92 92 LEU HG H 1.28 0.02 1
1011 92 92 LEU HD1 H 0.64 0.02 2
1012 92 92 LEU HD2 H 0.7 0.02 2
1013 92 92 LEU C C 179.58 0.2 1
1014 92 92 LEU CA C 58.5 0.2 1
1015 92 92 LEU CB C 42.2 0.2 1
1016 92 92 LEU CG C 27.78 0.2 1
1017 92 92 LEU CD1 C 24.49 0.2 2
1018 92 92 LEU CD2 C 25.73 0.2 2
1019 92 92 LEU N N 121.09 0.15 1
1020 93 93 GLN H H 7.35 0.02 1
1021 93 93 GLN HA H 3.94 0.02 1
1022 93 93 GLN HB2 H 1.99 0.02 2
1023 93 93 GLN HB3 H 1.99 0.02 2
1024 93 93 GLN HG2 H 2.14 0.02 2
1025 93 93 GLN HG3 H 2.14 0.02 2
1026 93 93 GLN C C 178.63 0.2 1
1027 93 93 GLN CA C 58.8 0.2 1
1028 93 93 GLN CB C 30.1 0.2 1
1029 93 93 GLN CG C 34.87 0.2 1
1030 93 93 GLN N N 117.49 0.15 1
1031 94 94 VAL H H 8.23 0.02 1
1032 94 94 VAL HA H 3.52 0.02 1
1033 94 94 VAL HB H 1.88 0.02 1
1034 94 94 VAL HG1 H 0.77 0.02 2
1035 94 94 VAL HG2 H 0.77 0.02 2
1036 94 94 VAL C C 177.42 0.2 1
1037 94 94 VAL CA C 67.5 0.2 1
1038 94 94 VAL CB C 32.8 0.2 1
1039 94 94 VAL CG1 C 23.35 0.2 2
1040 94 94 VAL CG2 C 23.09 0.2 2
1041 94 94 VAL N N 118.58 0.15 1
1042 95 95 GLY H H 7.76 0.02 1
1043 95 95 GLY HA2 H 3.82 0.02 2
1044 95 95 GLY HA3 H 3.42 0.02 2
1045 95 95 GLY C C 174.81 0.2 1
1046 95 95 GLY CA C 46.8 0.2 1
1047 95 95 GLY N N 106.45 0.15 1
1048 96 96 PHE H H 7 0.02 1
1049 96 96 PHE HA H 3.79 0.02 1
1050 96 96 PHE HB2 H 2.16 0.02 2
1051 96 96 PHE HB3 H 2.85 0.02 2
1052 96 96 PHE HD1 H 6.05 0.02 3
1053 96 96 PHE HD2 H 6.05 0.02 3
1054 96 96 PHE HE1 H 6.81 0.02 3
1055 96 96 PHE HE2 H 6.81 0.02 3
1056 96 96 PHE C C 176.78 0.2 1
1057 96 96 PHE CA C 62.1 0.2 1
1058 96 96 PHE CB C 39.3 0.2 1
1059 96 96 PHE CD1 C 131.92 0.2 3
1060 96 96 PHE CE1 C 131.73 0.2 3
1061 96 96 PHE N N 120.59 0.15 1
1062 97 97 TYR H H 7.03 0.02 1
1063 97 97 TYR HA H 2.93 0.02 1
1064 97 97 TYR HB2 H 1.63 0.02 2
1065 97 97 TYR HB3 H 2.29 0.02 2
1066 97 97 TYR HD1 H 6.54 0.02 3
1067 97 97 TYR HD2 H 6.54 0.02 3
1068 97 97 TYR HE1 H 5.93 0.02 3
1069 97 97 TYR HE2 H 5.93 0.02 3
1070 97 97 TYR C C 175.5 0.2 1
1071 97 97 TYR CA C 62.7 0.2 1
1072 97 97 TYR CB C 37.8 0.2 1
1073 97 97 TYR CD1 C 133.14 0.2 3
1074 97 97 TYR CE1 C 119.17 0.2 3
1075 97 97 TYR N N 116.7 0.15 1
1076 98 98 THR H H 7.54 0.02 1
1077 98 98 THR HA H 3.39 0.02 1
1078 98 98 THR HB H 3.82 0.02 1
1079 98 98 THR HG2 H 0.35 0.02 2
1080 98 98 THR C C 176.83 0.2 1
1081 98 98 THR CA C 65.2 0.2 1
1082 98 98 THR CB C 68.8 0.2 1
1083 98 98 THR CG2 C 23.25 0.2 1
1084 98 98 THR N N 104.71 0.15 1
1085 99 99 GLU H H 8.39 0.02 1
1086 99 99 GLU HA H 4.21 0.02 1
1087 99 99 GLU HB2 H 1.79 0.02 2
1088 99 99 GLU HB3 H 1.79 0.02 2
1089 99 99 GLU HG2 H 1.99 0.02 2
1090 99 99 GLU HG3 H 2.15 0.02 2
1091 99 99 GLU C C 176.82 0.2 1
1092 99 99 GLU CA C 57.2 0.2 1
1093 99 99 GLU CB C 30.7 0.2 1
1094 99 99 GLU CG C 37.01 0.2 1
1095 99 99 GLU N N 116.67 0.15 1
1096 100 100 VAL H H 6.59 0.02 1
1097 100 100 VAL HA H 3.82 0.02 1
1098 100 100 VAL HB H 1.65 0.02 1
1099 100 100 VAL HG1 H 0.54 0.02 2
1100 100 100 VAL HG2 H 0.46 0.02 2
1101 100 100 VAL C C 176.2 0.2 1
1102 100 100 VAL CA C 65 0.2 1
1103 100 100 VAL CB C 32.7 0.2 1
1104 100 100 VAL CG1 C 21.14 0.2 2
1105 100 100 VAL CG2 C 21.53 0.2 2
1106 100 100 VAL N N 117.33 0.15 1
1107 101 101 LEU H H 7.18 0.02 1
1108 101 101 LEU HA H 3.62 0.02 1
1109 101 101 LEU HB2 H 0.62 0.02 2
1110 101 101 LEU HB3 H 1.15 0.02 2
1111 101 101 LEU HG H 0.87 0.02 1
1112 101 101 LEU HD1 H 0.75 0.02 2
1113 101 101 LEU HD2 H 0.75 0.02 2
1114 101 101 LEU C C 177.51 0.2 1
1115 101 101 LEU CA C 59.7 0.2 1
1116 101 101 LEU CB C 43.11 0.2 1
1117 101 101 LEU CG C 27.19 0.2 1
1118 101 101 LEU CD1 C 24.28 0.2 2
1119 101 101 LEU CD2 C 24.26 0.2 2
1120 101 101 LEU N N 120.39 0.15 1
1121 102 102 PHE H H 8.66 0.02 1
1122 102 102 PHE HA H 4.35 0.02 1
1123 102 102 PHE HB2 H 3.1 0.02 2
1124 102 102 PHE HB3 H 3.17 0.02 2
1125 102 102 PHE HD1 H 6.54 0.02 3
1126 102 102 PHE HD2 H 6.54 0.02 3
1127 102 102 PHE HE1 H 6.45 0.02 3
1128 102 102 PHE HE2 H 6.45 0.02 3
1129 102 102 PHE CA C 59.61 0.2 1
1130 102 102 PHE CB C 33.77 0.2 1
1131 102 102 PHE CD1 C 130.27 0.2 3
1132 102 102 PHE CE1 C 130.61 0.2 3
1133 102 102 PHE N N 114.03 0.15 1
1134 103 103 PRO HA H 4.23 0.02 1
1135 103 103 PRO HB2 H 1.56 0.02 2
1136 103 103 PRO HB3 H 2.18 0.02 2
1137 103 103 PRO HG2 H 1.69 0.02 2
1138 103 103 PRO HG3 H 1.69 0.02 2
1139 103 103 PRO HD2 H 3.34 0.02 2
1140 103 103 PRO HD3 H 2.85 0.02 2
1141 103 103 PRO C C 180.71 0.2 1
1142 103 103 PRO CA C 66.8 0.2 1
1143 103 103 PRO CB C 31.66 0.2 1
1144 103 103 PRO CG C 29.13 0.2 1
1145 103 103 PRO CD C 51.05 0.2 1
1146 104 104 GLN H H 7.29 0.02 1
1147 104 104 GLN HA H 3.88 0.02 1
1148 104 104 GLN HB2 H 2.09 0.02 2
1149 104 104 GLN HB3 H 1.97 0.02 2
1150 104 104 GLN HG2 H 2.4 0.02 2
1151 104 104 GLN HG3 H 2.18 0.02 2
1152 104 104 GLN C C 177.7 0.2 1
1153 104 104 GLN CA C 59.7 0.2 1
1154 104 104 GLN CB C 29.4 0.2 1
1155 104 104 GLN CG C 35.28 0.2 1
1156 104 104 GLN N N 117.11 0.15 1
1157 105 105 LYS H H 7.65 0.02 1
1158 105 105 LYS HA H 4.32 0.02 1
1159 105 105 LYS HB2 H 1.48 0.02 2
1160 105 105 LYS HB3 H 1.92 0.02 2
1161 105 105 LYS HG2 H 1.32 0.02 2
1162 105 105 LYS HG3 H 1.05 0.02 2
1163 105 105 LYS HD2 H 1.5 0.02 2
1164 105 105 LYS HD3 H 1.5 0.02 2
1165 105 105 LYS HE2 H 2.79 0.02 2
1166 105 105 LYS HE3 H 2.79 0.02 2
1167 105 105 LYS C C 174.88 0.2 1
1168 105 105 LYS CA C 53.8 0.2 1
1169 105 105 LYS CB C 31.7 0.2 1
1170 105 105 LYS CG C 25.19 0.2 1
1171 105 105 LYS CD C 27.68 0.2 1
1172 105 105 LYS CE C 43.23 0.2 1
1173 105 105 LYS N N 115.38 0.15 1
1174 106 106 ASN H H 7.73 0.02 1
1175 106 106 ASN HA H 4.14 0.02 1
1176 106 106 ASN HB2 H 2.58 0.02 2
1177 106 106 ASN HB3 H 2.95 0.02 2
1178 106 106 ASN HD21 H 6.66 0.02 2
1179 106 106 ASN HD22 H 7.37 0.02 2
1180 106 106 ASN C C 173.4 0.2 1
1181 106 106 ASN CA C 55.2 0.2 1
1182 106 106 ASN CB C 37.8 0.2 1
1183 106 106 ASN N N 116.1 0.15 1
1184 106 106 ASN ND2 N 112 0.15 1
1185 107 107 VAL H H 7.97 0.02 1
1186 107 107 VAL HA H 3.73 0.02 1
1187 107 107 VAL HB H 1.5 0.02 1
1188 107 107 VAL HG1 H 0.63 0.02 2
1189 107 107 VAL HG2 H -0.06 0.02 2
1190 107 107 VAL C C 175.28 0.2 1
1191 107 107 VAL CA C 62.1 0.2 1
1192 107 107 VAL CB C 34.2 0.2 1
1193 107 107 VAL CG1 C 23.43 0.2 2
1194 107 107 VAL CG2 C 22.3 0.2 2
1195 107 107 VAL N N 119.06 0.15 1
1196 108 108 ARG H H 8.23 0.02 1
1197 108 108 ARG HA H 4.17 0.02 1
1198 108 108 ARG HB2 H 1.67 0.02 2
1199 108 108 ARG HB3 H 1.8 0.02 2
1200 108 108 ARG HG2 H 1.17 0.02 2
1201 108 108 ARG HG3 H 1.17 0.02 2
1202 108 108 ARG HD2 H 3.04 0.02 2
1203 108 108 ARG HD3 H 3.04 0.02 2
1204 108 108 ARG C C 173.02 0.2 1
1205 108 108 ARG CA C 56.69 0.2 1
1206 108 108 ARG CB C 31.1 0.2 1
1207 108 108 ARG CG C 27.89 0.2 1
1208 108 108 ARG CD C 44.82 0.2 1
1209 108 108 ARG N N 129.92 0.15 1
1210 109 109 PHE H H 8.55 0.02 1
1211 109 109 PHE HA H 5.11 0.02 1
1212 109 109 PHE HB2 H 2.6 0.02 2
1213 109 109 PHE HB3 H 2.91 0.02 2
1214 109 109 PHE HD1 H 6.93 0.02 3
1215 109 109 PHE HD2 H 6.93 0.02 3
1216 109 109 PHE HE1 H 6.98 0.02 3
1217 109 109 PHE HE2 H 6.98 0.02 3
1218 109 109 PHE CA C 57.13 0.2 1
1219 109 109 PHE CB C 42.89 0.2 1
1220 109 109 PHE CD1 C 132.69 0.2 3
1221 109 109 PHE N N 129.39 0.15 1
1222 110 110 LEU H H 8.29 0.02 1
1223 110 110 LEU HA H 4.09 0.02 1
1224 110 110 LEU HB2 H 0.97 0.02 2
1225 110 110 LEU HB3 H 1.11 0.02 2
1226 110 110 LEU HG H 0.58 0.02 1
1227 110 110 LEU HD1 H 0.62 0.02 2
1228 110 110 LEU HD2 H 0.62 0.02 2
1229 110 110 LEU C C 172.36 0.2 1
1230 110 110 LEU CA C 54.61 0.2 1
1231 110 110 LEU CB C 46.7 0.2 1
1232 110 110 LEU CG C 26.78 0.2 1
1233 110 110 LEU CD1 C 25.43 0.2 2
1234 110 110 LEU CD2 C 25.43 0.2 2
1235 110 110 LEU N N 130.22 0.15 1
1236 111 111 ALA H H 7.59 0.02 1
1237 111 111 ALA HA H 4.58 0.02 1
1238 111 111 ALA HB H 0.87 0.02 2
1239 111 111 ALA C C 177.47 0.2 1
1240 111 111 ALA CA C 49.8 0.2 1
1241 111 111 ALA CB C 20 0.2 1
1242 111 111 ALA N N 123.89 0.15 1
1243 112 112 ILE H H 7.7 0.02 1
1244 112 112 ILE HA H 3.14 0.02 1
1245 112 112 ILE HB H 1.49 0.02 1
1246 112 112 ILE HG12 H -0.2 0.02 2
1247 112 112 ILE HG13 H 0.87 0.02 2
1248 112 112 ILE HG2 H 0.47 0.02 2
1249 112 112 ILE HD1 H -0.04 0.02 2
1250 112 112 ILE C C 177.35 0.2 1
1251 112 112 ILE CA C 66.3 0.2 1
1252 112 112 ILE CB C 39.04 0.2 1
1253 112 112 ILE CG1 C 27.9 0.2 1
1254 112 112 ILE CG2 C 18.11 0.2 1
1255 112 112 ILE CD1 C 15.48 0.2 1
1256 112 112 ILE N N 121.69 0.15 1
1257 113 113 ASN H H 8.35 0.02 1
1258 113 113 ASN HA H 4.74 0.02 1
1259 113 113 ASN HB2 H 2.79 0.02 2
1260 113 113 ASN HB3 H 2.79 0.02 2
1261 113 113 ASN C C 175.11 0.2 1
1262 113 113 ASN CA C 53.61 0.2 1
1263 113 113 ASN CB C 39.66 0.2 1
1264 113 113 ASN N N 116.22 0.15 1
1265 114 114 ASN H H 8.11 0.02 1
1266 114 114 ASN HA H 4.6 0.02 1
1267 114 114 ASN HB2 H 2.51 0.02 2
1268 114 114 ASN HB3 H 2.79 0.02 2
1269 114 114 ASN C C 174.87 0.2 1
1270 114 114 ASN CA C 54.34 0.2 1
1271 114 114 ASN CB C 40.6 0.2 1
1272 114 114 ASN N N 118.56 0.15 1
1273 115 115 SER H H 8.01 0.02 1
1274 115 115 SER HA H 4.32 0.02 1
1275 115 115 SER HB2 H 3.77 0.02 2
1276 115 115 SER HB3 H 3.77 0.02 2
1277 115 115 SER C C 174.12 0.2 1
1278 115 115 SER CA C 59.26 0.2 1
1279 115 115 SER CB C 64.2 0.2 1
1280 115 115 SER N N 114.6 0.15 1
1281 116 116 ILE H H 7.92 0.02 1
1282 116 116 ILE HA H 4.02 0.02 1
1283 116 116 ILE HB H 1.64 0.02 1
1284 116 116 ILE HG12 H 0.98 0.02 2
1285 116 116 ILE HG13 H 1.3 0.02 2
1286 116 116 ILE HG2 H 0.73 0.02 2
1287 116 116 ILE HD1 H 0.69 0.02 2
1288 116 116 ILE C C 175.59 0.2 1
1289 116 116 ILE CA C 62.19 0.2 1
1290 116 116 ILE CB C 39.9 0.2 1
1291 116 116 ILE CG1 C 28.09 0.2 1
1292 116 116 ILE CG2 C 18.21 0.2 1
1293 116 116 ILE CD1 C 14.17 0.2 1
1294 116 116 ILE N N 121.02 0.15 1
1295 117 117 ASP H H 8.16 0.02 1
1296 117 117 ASP HA H 4.59 0.02 1
1297 117 117 ASP HB2 H 2.42 0.02 2
1298 117 117 ASP HB3 H 2.57 0.02 2
1299 117 117 ASP C C 174.87 0.2 1
1300 117 117 ASP CA C 54.78 0.2 1
1301 117 117 ASP CB C 42.49 0.2 1
1302 117 117 ASP N N 124.19 0.15 1
1303 118 118 SER H H 8.22 0.02 1
1304 118 118 SER HA H 4.25 0.02 1
1305 118 118 SER HB2 H 3.72 0.02 2
1306 118 118 SER HB3 H 3.8 0.02 2
1307 118 118 SER C C 174.26 0.2 1
1308 118 118 SER CA C 59.77 0.2 1
1309 118 118 SER CB C 64.5 0.2 1
1310 118 118 SER N N 116.92 0.15 1
1311 119 119 ASN H H 8.33 0.02 1
1312 119 119 ASN HA H 4.58 0.02 1
1313 119 119 ASN HB2 H 2.55 0.02 2
1314 119 119 ASN HB3 H 2.68 0.02 2
1315 119 119 ASN HD21 H 6.73 0.02 2
1316 119 119 ASN HD22 H 7.42 0.02 2
1317 119 119 ASN C C 174.12 0.2 1
1318 119 119 ASN CA C 54.2 0.2 1
1319 119 119 ASN CB C 39.7 0.2 1
1320 119 119 ASN N N 120.83 0.15 1
1321 119 119 ASN ND2 N 112.61 0.15 1
1322 120 120 ASN H H 7.79 0.02 1
1323 120 120 ASN HA H 4.29 0.02 1
1324 120 120 ASN HB2 H 2.49 0.02 2
1325 120 120 ASN HB3 H 2.58 0.02 2
1326 120 120 ASN CA C 55.77 0.2 1
1327 120 120 ASN CB C 41.32 0.2 1
1328 120 120 ASN N N 124.01 0.15 1
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