data_16578
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution NMR structure of the apo form of a ribonuclease H domain of protein DSY1790 from Desulfitobacterium hafniense, Northeast Structural Genomics target DhR1A.
;
_BMRB_accession_number 16578
_BMRB_flat_file_name bmr16578.str
_Entry_type original
_Submission_date 2009-10-24
_Accession_date 2009-10-24
_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 Mills Jeffrey L. .
2 Eletsky Alexander . .
3 Hua Jia . .
4 Belote Rachel L. .
5 Buchwald William A. .
6 Ciccosanti Colleen . .
7 Janjua Haleema . .
8 Nair R. . .
9 Rost B. . .
10 Acton T. B. .
11 Xiao R. . .
12 Everett J. K. .
13 Montelione G. T. .
14 Szyperski Thomas . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 708
"13C chemical shifts" 394
"15N chemical shifts" 132
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-08-03 original author .
stop_
_Original_release_date 2012-08-03
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution NMR structure of the apo form of a ribonuclease H domain of protein DSY1790 from Desulfitobacterium hafniense, Northeast Structural Genomics target DhR1A.'
_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 Mills Jeffrey L. .
2 Eletsky Alexander . .
3 Hua Jia . .
4 Belote Rachel L. .
5 Buchwald William A. .
6 Ciccosanti Colleen . .
7 Janjua Haleema . .
8 Nair R. . .
9 Rost B. . .
10 Acton T. B. .
11 Xiao R. . .
12 Everett J. K. .
13 Montelione G. T. .
14 Szyperski Thomas . .
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 .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name DSY1790
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
DSY1790 $entity
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_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common DSY1790
_Molecular_mass 16692.779
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 147
_Mol_residue_sequence
;
MDDRTEYDVYTDGSYVNGQY
AWAYAFVKDGKVHYEDADVG
KNPAAATMRNVAGEIAAALY
AVKKASQLGVKIRILHDYAG
IAFWATGEWKAKNEFTQAYA
KLMNQYRGIYSFEKVKAHSG
NEFNDYVDMKAKSALGIRDL
EHHHHHH
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ASP 3 ASP 4 ARG 5 THR
6 GLU 7 TYR 8 ASP 9 VAL 10 TYR
11 THR 12 ASP 13 GLY 14 SER 15 TYR
16 VAL 17 ASN 18 GLY 19 GLN 20 TYR
21 ALA 22 TRP 23 ALA 24 TYR 25 ALA
26 PHE 27 VAL 28 LYS 29 ASP 30 GLY
31 LYS 32 VAL 33 HIS 34 TYR 35 GLU
36 ASP 37 ALA 38 ASP 39 VAL 40 GLY
41 LYS 42 ASN 43 PRO 44 ALA 45 ALA
46 ALA 47 THR 48 MET 49 ARG 50 ASN
51 VAL 52 ALA 53 GLY 54 GLU 55 ILE
56 ALA 57 ALA 58 ALA 59 LEU 60 TYR
61 ALA 62 VAL 63 LYS 64 LYS 65 ALA
66 SER 67 GLN 68 LEU 69 GLY 70 VAL
71 LYS 72 ILE 73 ARG 74 ILE 75 LEU
76 HIS 77 ASP 78 TYR 79 ALA 80 GLY
81 ILE 82 ALA 83 PHE 84 TRP 85 ALA
86 THR 87 GLY 88 GLU 89 TRP 90 LYS
91 ALA 92 LYS 93 ASN 94 GLU 95 PHE
96 THR 97 GLN 98 ALA 99 TYR 100 ALA
101 LYS 102 LEU 103 MET 104 ASN 105 GLN
106 TYR 107 ARG 108 GLY 109 ILE 110 TYR
111 SER 112 PHE 113 GLU 114 LYS 115 VAL
116 LYS 117 ALA 118 HIS 119 SER 120 GLY
121 ASN 122 GLU 123 PHE 124 ASN 125 ASP
126 TYR 127 VAL 128 ASP 129 MET 130 LYS
131 ALA 132 LYS 133 SER 134 ALA 135 LEU
136 GLY 137 ILE 138 ARG 139 ASP 140 LEU
141 GLU 142 HIS 143 HIS 144 HIS 145 HIS
146 HIS 147 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-02-26
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 16807 DhR1A 100.00 147 100.00 100.00 4.87e-102
PDB 2KQ2 "Solution Nmr Structure Of The Apo Form Of A Ribonuclease H Domain Of Protein Dsy1790 From Desulfitobacterium Hafniense, Northea" 100.00 147 100.00 100.00 4.87e-102
PDB 2KW4 "Solution Nmr Structure Of The Holo Form Of A Ribonuclease H From D.Hafniense, Northeast Structural Genomics Consortium Dhr1a" 100.00 147 100.00 100.00 4.87e-102
DBJ BAE83579 "hypothetical protein [Desulfitobacterium hafniense Y51]" 93.88 206 100.00 100.00 2.30e-93
EMBL CDX01853 "Caulimovirus viroplasmin [Desulfitobacterium hafniense]" 93.88 206 100.00 100.00 2.30e-93
GB ACL20967 "ribonuclease H-related protein [Desulfitobacterium hafniense DCB-2]" 93.88 206 100.00 100.00 2.30e-93
GB EHL06967 "hypothetical protein HMPREF0322_02380 [Desulfitobacterium hafniense DP7]" 93.88 206 100.00 100.00 2.30e-93
REF WP_005812143 "double-stranded DNA-binding protein [Desulfitobacterium hafniense]" 93.88 206 100.00 100.00 2.30e-93
REF WP_018211583 "double-stranded DNA-binding protein [Desulfitobacterium hafniense]" 93.88 206 99.28 99.28 1.29e-92
REF WP_019850577 "ribonuclease [Desulfitobacterium sp. PCE1]" 89.80 203 96.97 99.24 5.97e-86
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity 'Desulfitobacterium hafniense' 49338 Eubacteria . Desulfitobacterium hafniense
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)+ Magic' 'pET 21-23C'
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_NC
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 0.89 mM '[U-99% 13C; U-99% 15N]'
D2O 10 v/v [U-2H]
H2O 90 v/v 'natural abundance'
MES 20 mM 'natural abundance'
'sodium chloride' 200 mM 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
DTT 10 mM 'natural abundance'
DSS 50 uM 'natural abundance'
'sodium azide' 0.02 w/v 'natural abundance'
stop_
save_
save_NC5
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 0.943 mM '[U-5% 13C; U-99% 15N]'
D2O 10 v/v [U-2H]
H2O 90 v/v 'natural abundance'
MES 20 mM 'natural abundance'
'sodium chloride' 200 mM 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
DTT 10 mM 'natural abundance'
DSS 50 uM 'natural abundance'
'sodium azide' 0.02 w/v 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_VNMRJ
_Saveframe_category software
_Name VNMRJ
_Version .
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRDraw
_Saveframe_category software
_Name NMRDraw
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_XEASY
_Saveframe_category software
_Name XEASY
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bartels et al.' . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
'peak picking'
stop_
_Details .
save_
save_SPSCAN
_Saveframe_category software
_Name SPSCAN
_Version .
loop_
_Vendor
_Address
_Electronic_address
Glaser . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_AutoAssign
_Saveframe_category software
_Name AutoAssign
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Zimmerman, Moseley, Kulikowski and Montelione' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_CSI
_Saveframe_category software
_Name CSI
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Wishart and Sykes' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Herrmann, Guntert and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_Molmol
_Saveframe_category software
_Name Molmol
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Koradi, Billeter and Wuthrich' . .
stop_
loop_
_Task
'data analysis'
refinement
stop_
_Details .
save_
save_PSVS
_Saveframe_category software
_Name PSVS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bhattacharya and Montelione' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model UnityPlus
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $NC
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $NC
save_
save_2D_1H-13C_HSQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $NC5
save_
save_3D_CBCA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $NC
save_
save_3D_HNCO_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $NC
save_
save_3D_HNCACB_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $NC
save_
save_3D_HBHA(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $NC
save_
save_3D_HCCH-COSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY'
_Sample_label $NC
save_
save_3D_simultaneous_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D simultaneous NOESY'
_Sample_label $NC
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' 430 . mM
pH 6.5 . 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_
_Software_label
$XEASY
stop_
loop_
_Experiment_label
'3D simultaneous NOESY'
stop_
loop_
_Sample_label
$NC
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name DSY1790
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 3 3 ASP H H 8.390 0.020 1
2 3 3 ASP HA H 4.559 0.020 1
3 3 3 ASP HB2 H 2.632 0.020 2
4 3 3 ASP HB3 H 2.612 0.020 2
5 3 3 ASP CA C 53.932 0.400 1
6 3 3 ASP CB C 41.013 0.400 1
7 3 3 ASP N N 121.740 0.400 1
8 4 4 ARG H H 8.160 0.020 1
9 4 4 ARG HA H 4.337 0.020 1
10 4 4 ARG HB2 H 1.752 0.020 2
11 4 4 ARG HB3 H 1.742 0.020 2
12 4 4 ARG HD2 H 3.148 0.020 2
13 4 4 ARG HD3 H 3.144 0.020 2
14 4 4 ARG HG2 H 1.608 0.020 2
15 4 4 ARG HG3 H 1.580 0.020 2
16 4 4 ARG CA C 56.055 0.400 1
17 4 4 ARG CB C 30.901 0.400 1
18 4 4 ARG CD C 43.100 0.400 1
19 4 4 ARG CG C 26.772 0.400 1
20 4 4 ARG N N 120.325 0.400 1
21 5 5 THR H H 8.308 0.020 1
22 5 5 THR HA H 3.939 0.020 1
23 5 5 THR HB H 3.963 0.020 1
24 5 5 THR HG2 H 0.902 0.020 1
25 5 5 THR CA C 62.544 0.400 1
26 5 5 THR CB C 69.372 0.400 1
27 5 5 THR CG2 C 21.971 0.400 1
28 5 5 THR N N 117.007 0.400 1
29 6 6 GLU H H 8.210 0.020 1
30 6 6 GLU HA H 3.952 0.020 1
31 6 6 GLU HB2 H 1.622 0.020 2
32 6 6 GLU HB3 H 1.619 0.020 2
33 6 6 GLU HG2 H 1.745 0.020 2
34 6 6 GLU HG3 H 1.726 0.020 2
35 6 6 GLU CA C 54.957 0.400 1
36 6 6 GLU CB C 30.906 0.400 1
37 6 6 GLU CG C 36.402 0.400 1
38 6 6 GLU N N 124.883 0.400 1
39 7 7 TYR H H 7.727 0.020 1
40 7 7 TYR HA H 4.667 0.020 1
41 7 7 TYR HB2 H 2.849 0.020 2
42 7 7 TYR HB3 H 2.812 0.020 2
43 7 7 TYR HD1 H 6.905 0.020 1
44 7 7 TYR HD2 H 6.905 0.020 1
45 7 7 TYR HE1 H 6.537 0.020 1
46 7 7 TYR HE2 H 6.537 0.020 1
47 7 7 TYR CA C 57.057 0.400 1
48 7 7 TYR CB C 41.899 0.400 1
49 7 7 TYR CD1 C 132.690 0.400 1
50 7 7 TYR CE1 C 117.810 0.400 1
51 7 7 TYR N N 116.418 0.400 1
52 8 8 ASP H H 8.485 0.020 1
53 8 8 ASP HA H 5.203 0.020 1
54 8 8 ASP HB2 H 2.276 0.020 2
55 8 8 ASP HB3 H 2.275 0.020 2
56 8 8 ASP CA C 53.648 0.400 1
57 8 8 ASP CB C 42.048 0.400 1
58 8 8 ASP N N 122.331 0.400 1
59 9 9 VAL H H 9.411 0.020 1
60 9 9 VAL HA H 5.177 0.020 1
61 9 9 VAL HB H 1.527 0.020 1
62 9 9 VAL HG1 H 0.604 0.020 1
63 9 9 VAL HG2 H -0.169 0.020 1
64 9 9 VAL CA C 60.502 0.400 1
65 9 9 VAL CB C 32.968 0.400 1
66 9 9 VAL CG1 C 21.312 0.400 1
67 9 9 VAL CG2 C 21.957 0.400 1
68 9 9 VAL N N 123.663 0.400 1
69 10 10 TYR H H 8.891 0.020 1
70 10 10 TYR HA H 4.820 0.020 1
71 10 10 TYR HB2 H 3.062 0.020 2
72 10 10 TYR HB3 H 2.894 0.020 2
73 10 10 TYR HD1 H 7.109 0.020 1
74 10 10 TYR HD2 H 7.109 0.020 1
75 10 10 TYR HE1 H 6.659 0.020 1
76 10 10 TYR HE2 H 6.659 0.020 1
77 10 10 TYR CA C 57.962 0.400 1
78 10 10 TYR CB C 40.288 0.400 1
79 10 10 TYR CD1 C 132.682 0.400 1
80 10 10 TYR CE1 C 116.876 0.400 1
81 10 10 TYR N N 128.243 0.400 1
82 11 11 THR H H 8.501 0.020 1
83 11 11 THR N N 110.793 0.400 1
84 12 12 ASP H H 8.807 0.020 1
85 12 12 ASP HA H 4.356 0.020 1
86 12 12 ASP HB2 H 2.740 0.020 2
87 12 12 ASP HB3 H 2.700 0.020 2
88 12 12 ASP CA C 54.008 0.400 1
89 12 12 ASP CB C 45.048 0.400 1
90 12 12 ASP N N 117.437 0.400 1
91 15 15 TYR HA H 5.464 0.020 1
92 15 15 TYR HB2 H 2.822 0.020 2
93 15 15 TYR HB3 H 2.786 0.020 2
94 15 15 TYR HD1 H 6.926 0.020 1
95 15 15 TYR HD2 H 6.926 0.020 1
96 15 15 TYR CA C 57.554 0.400 1
97 15 15 TYR CB C 41.692 0.400 1
98 15 15 TYR CD1 C 133.372 0.400 1
99 16 16 VAL H H 8.206 0.020 1
100 16 16 VAL HA H 3.893 0.020 1
101 16 16 VAL HB H 2.062 0.020 1
102 16 16 VAL HG1 H 0.896 0.020 1
103 16 16 VAL HG2 H 0.778 0.020 1
104 16 16 VAL CA C 61.728 0.400 1
105 16 16 VAL CB C 34.537 0.400 1
106 16 16 VAL CG1 C 21.380 0.400 1
107 16 16 VAL CG2 C 20.260 0.400 1
108 16 16 VAL N N 125.294 0.400 1
109 17 17 ASN H H 9.030 0.020 1
110 17 17 ASN HA H 4.306 0.020 1
111 17 17 ASN HB2 H 2.990 0.020 2
112 17 17 ASN HB3 H 2.576 0.020 2
113 17 17 ASN HD21 H 7.612 0.020 1
114 17 17 ASN HD22 H 6.851 0.020 1
115 17 17 ASN CA C 53.601 0.400 1
116 17 17 ASN CB C 37.769 0.400 1
117 17 17 ASN N N 124.047 0.400 1
118 17 17 ASN ND2 N 112.461 0.400 1
119 18 18 GLY H H 7.001 0.020 1
120 18 18 GLY HA2 H 4.154 0.020 2
121 18 18 GLY HA3 H 3.837 0.020 2
122 18 18 GLY CA C 45.528 0.400 1
123 18 18 GLY N N 101.688 0.400 1
124 19 19 GLN H H 7.574 0.020 1
125 19 19 GLN HA H 4.786 0.020 1
126 19 19 GLN HB2 H 1.890 0.020 2
127 19 19 GLN HB3 H 1.794 0.020 2
128 19 19 GLN HE21 H 7.170 0.020 2
129 19 19 GLN HE22 H 7.070 0.020 2
130 19 19 GLN HG2 H 2.233 0.020 2
131 19 19 GLN HG3 H 2.096 0.020 2
132 19 19 GLN CA C 53.934 0.400 1
133 19 19 GLN CB C 32.278 0.400 1
134 19 19 GLN CG C 33.716 0.400 1
135 19 19 GLN N N 119.079 0.400 1
136 20 20 TYR H H 8.548 0.020 1
137 20 20 TYR HA H 5.871 0.020 1
138 20 20 TYR HB2 H 3.275 0.020 2
139 20 20 TYR HB3 H 2.909 0.020 2
140 20 20 TYR HD1 H 6.933 0.020 1
141 20 20 TYR HD2 H 6.933 0.020 1
142 20 20 TYR HE1 H 6.681 0.020 1
143 20 20 TYR HE2 H 6.681 0.020 1
144 20 20 TYR CA C 54.464 0.400 1
145 20 20 TYR CB C 42.448 0.400 1
146 20 20 TYR CD1 C 133.361 0.400 1
147 20 20 TYR CE1 C 117.810 0.400 1
148 20 20 TYR N N 117.009 0.400 1
149 21 21 ALA H H 8.880 0.020 1
150 21 21 ALA HA H 5.125 0.020 1
151 21 21 ALA HB H 1.221 0.020 1
152 21 21 ALA CA C 50.155 0.400 1
153 21 21 ALA CB C 24.713 0.400 1
154 21 21 ALA N N 120.546 0.400 1
155 22 22 TRP H H 8.547 0.020 1
156 22 22 TRP HA H 5.718 0.020 1
157 22 22 TRP HB2 H 3.686 0.020 2
158 22 22 TRP HB3 H 3.668 0.020 2
159 22 22 TRP HD1 H 6.706 0.020 1
160 22 22 TRP HE1 H 10.333 0.020 1
161 22 22 TRP HZ2 H 6.726 0.020 1
162 22 22 TRP CA C 52.266 0.400 1
163 22 22 TRP CB C 32.595 0.400 1
164 22 22 TRP CD1 C 125.931 0.400 1
165 22 22 TRP CZ2 C 115.516 0.400 1
166 22 22 TRP N N 118.189 0.400 1
167 22 22 TRP NE1 N 129.433 0.400 1
168 23 23 ALA H H 8.417 0.020 1
169 23 23 ALA HA H 5.144 0.020 1
170 23 23 ALA HB H 1.340 0.020 1
171 23 23 ALA CA C 52.222 0.400 1
172 23 23 ALA CB C 24.712 0.400 1
173 23 23 ALA N N 115.779 0.400 1
174 24 24 TYR H H 8.621 0.020 1
175 24 24 TYR HA H 6.291 0.020 1
176 24 24 TYR HB2 H 3.312 0.020 2
177 24 24 TYR HB3 H 3.284 0.020 2
178 24 24 TYR CA C 55.658 0.400 1
179 24 24 TYR CB C 42.594 0.400 1
180 24 24 TYR N N 113.719 0.400 1
181 25 25 ALA H H 8.886 0.020 1
182 25 25 ALA HA H 5.482 0.020 1
183 25 25 ALA HB H 1.525 0.020 1
184 25 25 ALA CA C 51.542 0.400 1
185 25 25 ALA CB C 21.844 0.400 1
186 25 25 ALA N N 118.668 0.400 1
187 26 26 PHE H H 10.187 0.020 1
188 26 26 PHE HA H 5.335 0.020 1
189 26 26 PHE HD1 H 7.221 0.020 1
190 26 26 PHE HD2 H 7.221 0.020 1
191 26 26 PHE HE1 H 7.008 0.020 1
192 26 26 PHE HE2 H 7.008 0.020 1
193 26 26 PHE HZ H 6.920 0.020 1
194 26 26 PHE CA C 56.336 0.400 1
195 26 26 PHE CD1 C 131.380 0.400 1
196 26 26 PHE CE1 C 130.480 0.400 1
197 26 26 PHE CZ C 129.110 0.400 1
198 26 26 PHE N N 125.289 0.400 1
199 27 27 VAL H H 10.336 0.020 1
200 27 27 VAL HA H 5.129 0.020 1
201 27 27 VAL HB H 1.917 0.020 1
202 27 27 VAL HG1 H 0.394 0.020 1
203 27 27 VAL HG2 H 0.196 0.020 1
204 27 27 VAL CA C 61.144 0.400 1
205 27 27 VAL CB C 34.372 0.400 1
206 27 27 VAL CG1 C 21.380 0.400 1
207 27 27 VAL CG2 C 19.885 0.400 1
208 27 27 VAL N N 126.557 0.400 1
209 28 28 LYS H H 8.608 0.020 1
210 28 28 LYS HA H 4.513 0.020 1
211 28 28 LYS HB2 H 1.699 0.020 2
212 28 28 LYS HB3 H 1.241 0.020 2
213 28 28 LYS HD2 H 1.522 0.020 2
214 28 28 LYS HD3 H 1.522 0.020 2
215 28 28 LYS HE2 H 2.840 0.020 2
216 28 28 LYS HE3 H 2.835 0.020 2
217 28 28 LYS HG2 H 1.107 0.020 2
218 28 28 LYS HG3 H 1.110 0.020 2
219 28 28 LYS CA C 56.288 0.400 1
220 28 28 LYS CB C 35.710 0.400 1
221 28 28 LYS CD C 29.047 0.400 1
222 28 28 LYS CE C 41.780 0.400 1
223 28 28 LYS CG C 24.060 0.400 1
224 28 28 LYS N N 126.533 0.400 1
225 29 29 ASP H H 9.547 0.020 1
226 29 29 ASP HA H 4.338 0.020 1
227 29 29 ASP HB2 H 2.957 0.020 2
228 29 29 ASP HB3 H 2.839 0.020 2
229 29 29 ASP CA C 55.591 0.400 1
230 29 29 ASP CB C 39.568 0.400 1
231 29 29 ASP N N 126.736 0.400 1
232 30 30 GLY H H 8.695 0.020 1
233 30 30 GLY HA2 H 4.121 0.020 2
234 30 30 GLY HA3 H 3.635 0.020 2
235 30 30 GLY CA C 46.090 0.400 1
236 30 30 GLY N N 102.511 0.400 1
237 31 31 LYS H H 7.681 0.020 1
238 31 31 LYS HA H 4.723 0.020 1
239 31 31 LYS HB2 H 1.671 0.020 2
240 31 31 LYS HB3 H 1.664 0.020 2
241 31 31 LYS HD2 H 1.575 0.020 2
242 31 31 LYS HD3 H 1.570 0.020 2
243 31 31 LYS HE2 H 2.851 0.020 2
244 31 31 LYS HE3 H 2.847 0.020 2
245 31 31 LYS HG2 H 1.266 0.020 2
246 31 31 LYS HG3 H 1.239 0.020 2
247 31 31 LYS CA C 54.016 0.400 1
248 31 31 LYS CB C 35.715 0.400 1
249 31 31 LYS CD C 28.780 0.400 1
250 31 31 LYS CE C 41.780 0.400 1
251 31 31 LYS CG C 24.023 0.400 1
252 31 31 LYS N N 118.786 0.400 1
253 32 32 VAL H H 8.634 0.020 1
254 32 32 VAL HA H 4.272 0.020 1
255 32 32 VAL HB H 1.841 0.020 1
256 32 32 VAL HG1 H 0.880 0.020 2
257 32 32 VAL HG2 H 0.592 0.020 2
258 32 32 VAL CA C 62.621 0.400 1
259 32 32 VAL CB C 31.608 0.400 1
260 32 32 VAL CG1 C 21.952 0.400 1
261 32 32 VAL CG2 C 21.310 0.400 1
262 32 32 VAL N N 122.417 0.400 1
263 33 33 HIS H H 9.352 0.020 1
264 33 33 HIS HA H 4.290 0.020 1
265 33 33 HIS HB2 H 2.687 0.020 2
266 33 33 HIS HB3 H 2.659 0.020 2
267 33 33 HIS HD2 H 7.080 0.020 1
268 33 33 HIS HE1 H 8.080 0.020 1
269 33 33 HIS CA C 57.718 0.400 1
270 33 33 HIS CB C 34.342 0.400 1
271 33 33 HIS CD2 C 119.620 0.400 1
272 33 33 HIS CE1 C 136.050 0.400 1
273 33 33 HIS N N 127.367 0.400 1
274 34 34 TYR H H 7.221 0.020 1
275 34 34 TYR HA H 4.856 0.020 1
276 34 34 TYR HB2 H 2.876 0.020 2
277 34 34 TYR HB3 H 1.888 0.020 2
278 34 34 TYR HD1 H 6.559 0.020 1
279 34 34 TYR HD2 H 6.559 0.020 1
280 34 34 TYR HE1 H 6.570 0.020 1
281 34 34 TYR HE2 H 6.570 0.020 1
282 34 34 TYR CA C 56.417 0.400 1
283 34 34 TYR CB C 41.229 0.400 1
284 34 34 TYR CD1 C 132.742 0.400 1
285 34 34 TYR CE1 C 117.556 0.400 1
286 34 34 TYR N N 112.453 0.400 1
287 35 35 GLU H H 8.966 0.020 1
288 35 35 GLU HA H 4.785 0.020 1
289 35 35 GLU HB2 H 2.217 0.020 2
290 35 35 GLU HB3 H 1.889 0.020 2
291 35 35 GLU HG2 H 2.108 0.020 2
292 35 35 GLU HG3 H 2.103 0.020 2
293 35 35 GLU CA C 56.351 0.400 1
294 35 35 GLU CB C 33.654 0.400 1
295 35 35 GLU CG C 33.723 0.400 1
296 35 35 GLU N N 118.671 0.400 1
297 36 36 ASP H H 8.330 0.020 1
298 36 36 ASP HA H 4.565 0.020 1
299 36 36 ASP HB2 H 2.701 0.020 2
300 36 36 ASP HB3 H 2.438 0.020 2
301 36 36 ASP CA C 52.894 0.400 1
302 36 36 ASP CB C 42.568 0.400 1
303 36 36 ASP N N 120.730 0.400 1
304 37 37 ALA H H 8.336 0.020 1
305 37 37 ALA HA H 3.713 0.020 1
306 37 37 ALA HB H 0.984 0.020 1
307 37 37 ALA CA C 51.559 0.400 1
308 37 37 ALA CB C 21.967 0.400 1
309 37 37 ALA N N 121.147 0.400 1
310 38 38 ASP H H 6.542 0.020 1
311 38 38 ASP HA H 4.198 0.020 1
312 38 38 ASP HB2 H 2.535 0.020 2
313 38 38 ASP HB3 H 2.336 0.020 2
314 38 38 ASP CA C 52.317 0.400 1
315 38 38 ASP CB C 43.292 0.400 1
316 38 38 ASP N N 115.819 0.400 1
317 39 39 VAL H H 8.807 0.020 1
318 39 39 VAL HA H 4.525 0.020 1
319 39 39 VAL HB H 1.839 0.020 1
320 39 39 VAL HG1 H 0.792 0.020 1
321 39 39 VAL HG2 H 0.746 0.020 1
322 39 39 VAL CA C 60.138 0.400 1
323 39 39 VAL CB C 33.681 0.400 1
324 39 39 VAL CG1 C 21.270 0.400 1
325 39 39 VAL CG2 C 20.576 0.400 1
326 39 39 VAL N N 113.683 0.400 1
327 40 40 GLY H H 8.743 0.020 1
328 40 40 GLY HA2 H 4.083 0.020 2
329 40 40 GLY HA3 H 2.832 0.020 2
330 40 40 GLY CA C 44.654 0.400 1
331 40 40 GLY N N 112.041 0.400 1
332 41 41 LYS H H 8.363 0.020 1
333 41 41 LYS HA H 4.583 0.020 1
334 41 41 LYS HB2 H 1.991 0.020 2
335 41 41 LYS HB3 H 1.716 0.020 2
336 41 41 LYS HD2 H 1.651 0.020 2
337 41 41 LYS HD3 H 1.649 0.020 2
338 41 41 LYS HE2 H 2.952 0.020 2
339 41 41 LYS HE3 H 2.951 0.020 2
340 41 41 LYS HG2 H 1.441 0.020 2
341 41 41 LYS HG3 H 1.437 0.020 2
342 41 41 LYS CA C 55.466 0.400 1
343 41 41 LYS CB C 34.356 0.400 1
344 41 41 LYS CD C 28.780 0.400 1
345 41 41 LYS CE C 41.905 0.400 1
346 41 41 LYS CG C 24.717 0.400 1
347 41 41 LYS N N 117.840 0.400 1
348 42 42 ASN H H 8.079 0.020 1
349 42 42 ASN HA H 5.117 0.020 1
350 42 42 ASN HB2 H 2.990 0.020 2
351 42 42 ASN HB3 H 2.781 0.020 2
352 42 42 ASN CA C 51.530 0.400 1
353 42 42 ASN CB C 40.507 0.400 1
354 42 42 ASN N N 119.906 0.400 1
355 43 43 PRO HA H 4.443 0.020 1
356 43 43 PRO HB2 H 2.422 0.020 2
357 43 43 PRO HB3 H 2.017 0.020 2
358 43 43 PRO HD2 H 4.037 0.020 2
359 43 43 PRO HD3 H 3.843 0.020 2
360 43 43 PRO HG2 H 2.118 0.020 2
361 43 43 PRO HG3 H 2.050 0.020 2
362 43 43 PRO CA C 64.627 0.400 1
363 43 43 PRO CB C 31.619 0.400 1
364 43 43 PRO CD C 50.847 0.400 1
365 43 43 PRO CG C 27.140 0.400 1
366 44 44 ALA H H 8.171 0.020 1
367 44 44 ALA HA H 4.220 0.020 1
368 44 44 ALA HB H 1.335 0.020 1
369 44 44 ALA CA C 53.647 0.400 1
370 44 44 ALA CB C 18.142 0.400 1
371 44 44 ALA N N 119.511 0.400 1
372 45 45 ALA H H 7.690 0.020 1
373 45 45 ALA HA H 3.407 0.020 1
374 45 45 ALA HB H 0.655 0.020 1
375 45 45 ALA CA C 53.404 0.400 1
376 45 45 ALA CB C 17.808 0.400 1
377 45 45 ALA N N 119.499 0.400 1
378 46 46 ALA H H 7.442 0.020 1
379 46 46 ALA HA H 3.802 0.020 1
380 46 46 ALA HB H 1.582 0.020 1
381 46 46 ALA CA C 54.994 0.400 1
382 46 46 ALA CB C 17.887 0.400 1
383 46 46 ALA N N 118.246 0.400 1
384 47 47 THR H H 7.233 0.020 1
385 47 47 THR HA H 4.113 0.020 1
386 47 47 THR HB H 4.173 0.020 1
387 47 47 THR HG2 H 1.239 0.020 1
388 47 47 THR CA C 63.232 0.400 1
389 47 47 THR CB C 68.719 0.400 1
390 47 47 THR CG2 C 21.283 0.400 1
391 47 47 THR N N 107.898 0.400 1
392 48 48 MET H H 7.793 0.020 1
393 48 48 MET HA H 4.207 0.020 1
394 48 48 MET HB2 H 2.411 0.020 2
395 48 48 MET HB3 H 2.276 0.020 2
396 48 48 MET HE H 1.825 0.020 1
397 48 48 MET HG2 H 2.410 0.020 2
398 48 48 MET HG3 H 2.405 0.020 2
399 48 48 MET CA C 55.688 0.400 1
400 48 48 MET CB C 31.602 0.400 1
401 48 48 MET CE C 17.145 0.400 1
402 48 48 MET CG C 32.070 0.400 1
403 48 48 MET N N 118.254 0.400 1
404 49 49 ARG H H 8.025 0.020 1
405 49 49 ARG HD2 H 3.130 0.020 2
406 49 49 ARG HD3 H 3.130 0.020 2
407 49 49 ARG N N 117.010 0.400 1
408 51 51 VAL H H 7.465 0.020 1
409 51 51 VAL HA H 3.702 0.020 1
410 51 51 VAL HB H 1.941 0.020 1
411 51 51 VAL HG1 H 0.829 0.020 1
412 51 51 VAL HG2 H 0.531 0.020 1
413 51 51 VAL CA C 64.612 0.400 1
414 51 51 VAL CB C 31.328 0.400 1
415 51 51 VAL CG1 C 21.960 0.400 1
416 51 51 VAL CG2 C 21.958 0.400 1
417 51 51 VAL N N 118.179 0.400 1
418 52 52 ALA H H 6.965 0.020 1
419 52 52 ALA HA H 3.754 0.020 1
420 52 52 ALA HB H 0.524 0.020 1
421 52 52 ALA CA C 54.965 0.400 1
422 52 52 ALA CB C 17.154 0.400 1
423 52 52 ALA N N 120.329 0.400 1
424 53 53 GLY H H 7.228 0.020 1
425 53 53 GLY HA2 H 4.397 0.020 2
426 53 53 GLY HA3 H 4.090 0.020 2
427 53 53 GLY CA C 47.729 0.400 1
428 53 53 GLY N N 100.036 0.400 1
429 54 54 GLU H H 7.856 0.020 1
430 54 54 GLU HA H 3.962 0.020 1
431 54 54 GLU HB2 H 1.602 0.020 2
432 54 54 GLU HB3 H 1.607 0.020 2
433 54 54 GLU CA C 60.806 0.400 1
434 54 54 GLU CB C 29.568 0.400 1
435 54 54 GLU N N 122.935 0.400 1
436 55 55 ILE H H 8.036 0.020 1
437 55 55 ILE HA H 3.196 0.020 1
438 55 55 ILE HB H 1.770 0.020 1
439 55 55 ILE HD1 H 0.451 0.020 1
440 55 55 ILE HG12 H 1.611 0.020 2
441 55 55 ILE HG13 H 1.607 0.020 2
442 55 55 ILE HG2 H 0.007 0.020 1
443 55 55 ILE CA C 64.615 0.400 1
444 55 55 ILE CB C 37.094 0.400 1
445 55 55 ILE CD1 C 14.402 0.400 1
446 55 55 ILE CG1 C 28.862 0.400 1
447 55 55 ILE CG2 C 16.461 0.400 1
448 55 55 ILE N N 118.780 0.400 1
449 56 56 ALA H H 7.671 0.020 1
450 56 56 ALA HA H 3.651 0.020 1
451 56 56 ALA HB H 1.456 0.020 1
452 56 56 ALA CA C 54.883 0.400 1
453 56 56 ALA CB C 17.808 0.400 1
454 56 56 ALA N N 120.308 0.400 1
455 57 57 ALA H H 8.675 0.020 1
456 57 57 ALA HA H 4.086 0.020 1
457 57 57 ALA HB H 2.095 0.020 1
458 57 57 ALA CA C 55.607 0.400 1
459 57 57 ALA CB C 20.488 0.400 1
460 57 57 ALA N N 117.841 0.400 1
461 58 58 ALA H H 7.652 0.020 1
462 58 58 ALA HA H 3.770 0.020 1
463 58 58 ALA HB H 1.586 0.020 1
464 58 58 ALA CA C 54.970 0.400 1
465 58 58 ALA CB C 17.896 0.400 1
466 58 58 ALA N N 117.463 0.400 1
467 59 59 LEU H H 8.028 0.020 1
468 59 59 LEU HA H 3.898 0.020 1
469 59 59 LEU HB2 H 1.584 0.020 2
470 59 59 LEU HB3 H 1.389 0.020 2
471 59 59 LEU HD1 H 0.627 0.020 2
472 59 59 LEU HD2 H 0.625 0.020 2
473 59 59 LEU HG H 1.470 0.020 1
474 59 59 LEU CA C 57.722 0.400 1
475 59 59 LEU CB C 41.908 0.400 1
476 59 59 LEU CD1 C 24.730 0.400 1
477 59 59 LEU CD2 C 24.712 0.400 1
478 59 59 LEU CG C 26.770 0.400 1
479 59 59 LEU N N 117.419 0.400 1
480 60 60 TYR H H 8.664 0.020 1
481 60 60 TYR HA H 4.003 0.020 1
482 60 60 TYR HB2 H 2.882 0.020 2
483 60 60 TYR HB3 H 2.875 0.020 2
484 60 60 TYR HD1 H 6.163 0.020 1
485 60 60 TYR HD2 H 6.163 0.020 1
486 60 60 TYR HE1 H 6.461 0.020 1
487 60 60 TYR HE2 H 6.461 0.020 1
488 60 60 TYR CA C 61.296 0.400 1
489 60 60 TYR CB C 35.744 0.400 1
490 60 60 TYR CD1 C 132.682 0.400 1
491 60 60 TYR CE1 C 116.184 0.400 1
492 60 60 TYR N N 117.008 0.400 1
493 61 61 ALA H H 8.265 0.020 1
494 61 61 ALA HA H 3.162 0.020 1
495 61 61 ALA HB H 0.958 0.020 1
496 61 61 ALA CA C 55.013 0.400 1
497 61 61 ALA CB C 18.534 0.400 1
498 61 61 ALA N N 124.462 0.400 1
499 62 62 VAL H H 8.025 0.020 1
500 62 62 VAL HA H 3.256 0.020 1
501 62 62 VAL HB H 1.885 0.020 1
502 62 62 VAL HG1 H 0.344 0.020 1
503 62 62 VAL HG2 H 0.625 0.020 1
504 62 62 VAL CA C 66.678 0.400 1
505 62 62 VAL CB C 30.937 0.400 1
506 62 62 VAL CG1 C 25.330 0.400 1
507 62 62 VAL CG2 C 25.397 0.400 1
508 62 62 VAL N N 119.376 0.400 1
509 63 63 LYS H H 7.904 0.020 1
510 63 63 LYS HA H 3.433 0.020 1
511 63 63 LYS HB2 H 1.787 0.020 2
512 63 63 LYS HB3 H 1.731 0.020 2
513 63 63 LYS HD2 H 1.557 0.020 2
514 63 63 LYS HD3 H 1.552 0.020 2
515 63 63 LYS HE2 H 2.838 0.020 2
516 63 63 LYS HE3 H 2.847 0.020 2
517 63 63 LYS HG2 H 1.473 0.020 2
518 63 63 LYS HG3 H 1.232 0.020 2
519 63 63 LYS CA C 59.994 0.400 1
520 63 63 LYS CB C 31.761 0.400 1
521 63 63 LYS CD C 29.523 0.400 1
522 63 63 LYS CE C 41.780 0.400 1
523 63 63 LYS CG C 25.400 0.400 1
524 63 63 LYS N N 119.363 0.400 1
525 64 64 LYS H H 7.827 0.020 1
526 64 64 LYS HA H 4.028 0.020 1
527 64 64 LYS HB2 H 1.733 0.020 2
528 64 64 LYS HB3 H 1.670 0.020 2
529 64 64 LYS CA C 57.371 0.400 1
530 64 64 LYS CB C 30.805 0.400 1
531 64 64 LYS N N 121.153 0.400 1
532 65 65 ALA H H 8.761 0.020 1
533 65 65 ALA HA H 3.836 0.020 1
534 65 65 ALA HB H 1.506 0.020 1
535 65 65 ALA CA C 55.248 0.400 1
536 65 65 ALA CB C 18.411 0.400 1
537 65 65 ALA N N 121.974 0.400 1
538 66 66 SER H H 8.371 0.020 1
539 66 66 SER HA H 4.154 0.020 1
540 66 66 SER HB2 H 3.834 0.020 2
541 66 66 SER HB3 H 3.813 0.020 2
542 66 66 SER CA C 60.481 0.400 1
543 66 66 SER CB C 62.544 0.400 1
544 66 66 SER N N 112.039 0.400 1
545 67 67 GLN H H 7.617 0.020 1
546 67 67 GLN HA H 4.046 0.020 1
547 67 67 GLN HB2 H 2.246 0.020 2
548 67 67 GLN HB3 H 2.166 0.020 2
549 67 67 GLN HE21 H 7.423 0.020 2
550 67 67 GLN HE22 H 6.838 0.020 2
551 67 67 GLN HG2 H 2.539 0.020 2
552 67 67 GLN HG3 H 2.315 0.020 2
553 67 67 GLN CA C 58.405 0.400 1
554 67 67 GLN CB C 28.162 0.400 1
555 67 67 GLN CG C 33.659 0.400 1
556 67 67 GLN N N 121.559 0.400 1
557 67 67 GLN NE2 N 111.241 0.400 1
558 68 68 LEU H H 8.075 0.020 1
559 68 68 LEU HA H 4.066 0.020 1
560 68 68 LEU HB2 H 1.678 0.020 2
561 68 68 LEU HB3 H 1.314 0.020 2
562 68 68 LEU HD1 H 0.511 0.020 1
563 68 68 LEU HD2 H -0.395 0.020 1
564 68 68 LEU HG H 0.988 0.020 1
565 68 68 LEU CA C 54.973 0.400 1
566 68 68 LEU CB C 44.730 0.400 1
567 68 68 LEU CD1 C 21.274 0.400 1
568 68 68 LEU CD2 C 24.874 0.400 1
569 68 68 LEU N N 117.015 0.400 1
570 69 69 GLY H H 8.111 0.020 1
571 69 69 GLY HA2 H 4.035 0.020 2
572 69 69 GLY HA3 H 3.961 0.020 2
573 69 69 GLY CA C 46.342 0.400 1
574 69 69 GLY N N 108.709 0.400 1
575 70 70 VAL H H 7.536 0.020 1
576 70 70 VAL HA H 4.857 0.020 1
577 70 70 VAL HB H 2.571 0.020 1
578 70 70 VAL HG1 H 0.993 0.020 2
579 70 70 VAL HG2 H 0.851 0.020 2
580 70 70 VAL CA C 58.361 0.400 1
581 70 70 VAL CB C 33.639 0.400 1
582 70 70 VAL CG1 C 21.274 0.400 1
583 70 70 VAL CG2 C 17.846 0.400 1
584 70 70 VAL N N 110.398 0.400 1
585 71 71 LYS H H 8.309 0.020 1
586 71 71 LYS HA H 5.179 0.020 1
587 71 71 LYS HB2 H 1.635 0.020 2
588 71 71 LYS HB3 H 1.635 0.020 2
589 71 71 LYS HD2 H 1.577 0.020 2
590 71 71 LYS HD3 H 1.573 0.020 2
591 71 71 LYS HE2 H 2.839 0.020 2
592 71 71 LYS HE3 H 2.838 0.020 2
593 71 71 LYS HG2 H 1.366 0.020 2
594 71 71 LYS HG3 H 1.259 0.020 2
595 71 71 LYS CA C 54.275 0.400 1
596 71 71 LYS CB C 35.018 0.400 1
597 71 71 LYS CD C 28.839 0.400 1
598 71 71 LYS CE C 41.780 0.400 1
599 71 71 LYS CG C 24.781 0.400 1
600 71 71 LYS N N 118.243 0.400 1
601 72 72 ILE H H 8.409 0.020 1
602 72 72 ILE HA H 5.423 0.020 1
603 72 72 ILE HB H 1.354 0.020 1
604 72 72 ILE HD1 H 0.354 0.020 1
605 72 72 ILE HG12 H 1.376 0.020 2
606 72 72 ILE HG13 H 1.375 0.020 2
607 72 72 ILE HG2 H 0.456 0.020 1
608 72 72 ILE CA C 58.414 0.400 1
609 72 72 ILE CB C 42.728 0.400 1
610 72 72 ILE CD1 C 13.370 0.400 1
611 72 72 ILE CG1 C 28.154 0.400 1
612 72 72 ILE CG2 C 20.596 0.400 1
613 72 72 ILE N N 111.205 0.400 1
614 73 73 ARG H H 8.469 0.020 1
615 73 73 ARG HA H 4.536 0.020 1
616 73 73 ARG HB2 H 1.995 0.020 2
617 73 73 ARG HB3 H 1.400 0.020 2
618 73 73 ARG HD2 H 3.095 0.020 2
619 73 73 ARG HD3 H 3.097 0.020 2
620 73 73 ARG HG2 H 1.237 0.020 2
621 73 73 ARG HG3 H 1.043 0.020 2
622 73 73 ARG CA C 54.194 0.400 1
623 73 73 ARG CB C 31.648 0.400 1
624 73 73 ARG CD C 43.280 0.400 1
625 73 73 ARG CG C 26.690 0.400 1
626 73 73 ARG N N 125.708 0.400 1
627 74 74 ILE H H 9.099 0.020 1
628 74 74 ILE HA H 4.104 0.020 1
629 74 74 ILE HB H 1.818 0.020 1
630 74 74 ILE HG2 H 0.824 0.020 1
631 74 74 ILE CA C 61.869 0.400 1
632 74 74 ILE CB C 37.768 0.400 1
633 74 74 ILE CG2 C 17.360 0.400 1
634 74 74 ILE N N 126.966 0.400 1
635 75 75 LEU H H 9.025 0.020 1
636 75 75 LEU HA H 4.105 0.020 1
637 75 75 LEU HB2 H 1.630 0.020 2
638 75 75 LEU HB3 H 1.570 0.020 2
639 75 75 LEU CA C 54.008 0.400 1
640 75 75 LEU CB C 40.168 0.400 1
641 75 75 LEU N N 133.577 0.400 1
642 79 79 ALA HA H 3.380 0.020 1
643 79 79 ALA HB H 0.788 0.020 1
644 79 79 ALA CA C 54.284 0.400 1
645 79 79 ALA CB C 17.849 0.400 1
646 80 80 GLY H H 5.481 0.020 1
647 80 80 GLY HA2 H 3.930 0.020 2
648 80 80 GLY HA3 H 3.951 0.020 2
649 80 80 GLY CA C 46.248 0.400 1
650 80 80 GLY N N 99.207 0.400 1
651 82 82 ALA H H 5.295 0.020 1
652 82 82 ALA HA H 2.187 0.020 1
653 82 82 ALA HB H 0.192 0.020 1
654 82 82 ALA CA C 52.210 0.400 1
655 82 82 ALA CB C 19.222 0.400 1
656 82 82 ALA N N 116.195 0.400 1
657 83 83 PHE H H 6.319 0.020 1
658 83 83 PHE HA H 4.489 0.020 1
659 83 83 PHE HD1 H 6.910 0.020 1
660 83 83 PHE HD2 H 6.910 0.020 1
661 83 83 PHE HE1 H 6.950 0.020 1
662 83 83 PHE HE2 H 6.950 0.020 1
663 83 83 PHE HZ H 6.920 0.020 1
664 83 83 PHE CA C 57.213 0.400 1
665 83 83 PHE N N 113.697 0.400 1
666 84 84 TRP H H 9.425 0.020 1
667 84 84 TRP HA H 5.054 0.020 1
668 84 84 TRP HB2 H 3.532 0.020 2
669 84 84 TRP HB3 H 3.200 0.020 2
670 84 84 TRP HD1 H 7.174 0.020 1
671 84 84 TRP HE1 H 10.556 0.020 1
672 84 84 TRP HE3 H 6.839 0.020 1
673 84 84 TRP HH2 H 7.375 0.020 1
674 84 84 TRP HZ2 H 7.858 0.020 1
675 84 84 TRP HZ3 H 7.344 0.020 1
676 84 84 TRP CA C 60.469 0.400 1
677 84 84 TRP CB C 27.639 0.400 1
678 84 84 TRP CD1 C 125.105 0.400 1
679 84 84 TRP CE3 C 120.380 0.400 1
680 84 84 TRP CH2 C 125.131 0.400 1
681 84 84 TRP CZ2 C 114.806 0.400 1
682 84 84 TRP CZ3 C 125.132 0.400 1
683 84 84 TRP N N 117.837 0.400 1
684 84 84 TRP NE1 N 130.053 0.400 1
685 85 85 ALA H H 6.927 0.020 1
686 85 85 ALA HA H 3.926 0.020 1
687 85 85 ALA HB H 1.623 0.020 1
688 85 85 ALA CA C 54.925 0.400 1
689 85 85 ALA CB C 19.213 0.400 1
690 85 85 ALA N N 118.665 0.400 1
691 86 86 THR H H 8.403 0.020 1
692 86 86 THR HA H 4.364 0.020 1
693 86 86 THR HB H 4.546 0.020 1
694 86 86 THR HG2 H 1.414 0.020 1
695 86 86 THR CA C 62.456 0.400 1
696 86 86 THR CB C 69.928 0.400 1
697 86 86 THR CG2 C 21.276 0.400 1
698 86 86 THR N N 106.235 0.400 1
699 87 87 GLY H H 7.472 0.020 1
700 87 87 GLY HA2 H 4.386 0.020 2
701 87 87 GLY HA3 H 3.916 0.020 2
702 87 87 GLY CA C 44.935 0.400 1
703 87 87 GLY N N 108.311 0.400 1
704 88 88 GLU H H 8.240 0.020 1
705 88 88 GLU HA H 3.901 0.020 1
706 88 88 GLU HB2 H 1.657 0.020 2
707 88 88 GLU HB3 H 1.470 0.020 2
708 88 88 GLU HG2 H 2.031 0.020 2
709 88 88 GLU HG3 H 1.770 0.020 2
710 88 88 GLU CA C 59.097 0.400 1
711 88 88 GLU CB C 29.552 0.400 1
712 88 88 GLU CG C 36.399 0.400 1
713 88 88 GLU N N 122.834 0.400 1
714 89 89 TRP H H 7.427 0.020 1
715 89 89 TRP HA H 5.077 0.020 1
716 89 89 TRP HB2 H 3.013 0.020 2
717 89 89 TRP HB3 H 2.363 0.020 2
718 89 89 TRP HD1 H 6.807 0.020 1
719 89 89 TRP HE1 H 9.775 0.020 1
720 89 89 TRP HE3 H 6.130 0.020 1
721 89 89 TRP HH2 H 6.879 0.020 1
722 89 89 TRP HZ2 H 7.327 0.020 1
723 89 89 TRP HZ3 H 6.436 0.020 1
724 89 89 TRP CA C 52.368 0.400 1
725 89 89 TRP CB C 31.124 0.400 1
726 89 89 TRP CD1 C 123.070 0.400 1
727 89 89 TRP CE3 C 119.621 0.400 1
728 89 89 TRP CH2 C 123.752 0.400 1
729 89 89 TRP CZ2 C 114.805 0.400 1
730 89 89 TRP CZ3 C 121.002 0.400 1
731 89 89 TRP N N 114.152 0.400 1
732 89 89 TRP NE1 N 128.603 0.400 1
733 90 90 LYS H H 8.719 0.020 1
734 90 90 LYS HA H 4.315 0.020 1
735 90 90 LYS HB2 H 1.742 0.020 2
736 90 90 LYS HB3 H 1.729 0.020 2
737 90 90 LYS HD2 H 1.583 0.020 2
738 90 90 LYS HD3 H 1.578 0.020 2
739 90 90 LYS HE2 H 2.976 0.020 2
740 90 90 LYS HE3 H 2.972 0.020 2
741 90 90 LYS HG2 H 1.497 0.020 2
742 90 90 LYS HG3 H 1.417 0.020 2
743 90 90 LYS CA C 55.482 0.400 1
744 90 90 LYS CB C 32.276 0.400 1
745 90 90 LYS CD C 28.780 0.400 1
746 90 90 LYS CE C 41.780 0.400 1
747 90 90 LYS CG C 24.712 0.400 1
748 90 90 LYS N N 122.390 0.400 1
749 91 91 ALA H H 8.760 0.020 1
750 91 91 ALA HA H 4.120 0.020 1
751 91 91 ALA HB H 1.243 0.020 1
752 91 91 ALA CA C 52.229 0.400 1
753 91 91 ALA CB C 17.837 0.400 1
754 91 91 ALA N N 128.246 0.400 1
755 95 95 PHE HA H 4.344 0.020 1
756 95 95 PHE HB2 H 3.011 0.020 2
757 95 95 PHE HB3 H 2.781 0.020 2
758 95 95 PHE HD1 H 6.910 0.020 1
759 95 95 PHE HD2 H 6.910 0.020 1
760 95 95 PHE HE1 H 6.950 0.020 1
761 95 95 PHE HE2 H 6.950 0.020 1
762 95 95 PHE HZ H 6.920 0.020 1
763 95 95 PHE CA C 61.093 0.400 1
764 95 95 PHE CB C 39.528 0.400 1
765 95 95 PHE CD1 C 131.380 0.400 1
766 95 95 PHE CE1 C 130.480 0.400 1
767 95 95 PHE CZ C 129.110 0.400 1
768 96 96 THR H H 8.308 0.020 1
769 96 96 THR HA H 3.458 0.020 1
770 96 96 THR HB H 3.027 0.020 1
771 96 96 THR HG2 H 0.090 0.020 1
772 96 96 THR CA C 64.733 0.400 1
773 96 96 THR CB C 67.923 0.400 1
774 96 96 THR CG2 C 21.959 0.400 1
775 96 96 THR N N 111.100 0.400 1
776 97 97 GLN H H 8.432 0.020 1
777 97 97 GLN HA H 3.832 0.020 1
778 97 97 GLN HB2 H 2.014 0.020 2
779 97 97 GLN HB3 H 1.910 0.020 2
780 97 97 GLN HE21 H 7.119 0.020 2
781 97 97 GLN HE22 H 6.952 0.020 2
782 97 97 GLN HG2 H 2.289 0.020 2
783 97 97 GLN HG3 H 2.240 0.020 2
784 97 97 GLN CA C 58.520 0.400 1
785 97 97 GLN CB C 27.466 0.400 1
786 97 97 GLN CG C 33.662 0.400 1
787 97 97 GLN N N 122.815 0.400 1
788 98 98 ALA H H 7.851 0.020 1
789 98 98 ALA HA H 4.037 0.020 1
790 98 98 ALA HB H 1.389 0.020 1
791 98 98 ALA CA C 54.970 0.400 1
792 98 98 ALA CB C 17.152 0.400 1
793 98 98 ALA N N 122.806 0.400 1
794 99 99 TYR H H 7.262 0.020 1
795 99 99 TYR HA H 4.550 0.020 1
796 99 99 TYR HB2 H 2.818 0.020 2
797 99 99 TYR HB3 H 2.664 0.020 2
798 99 99 TYR HD1 H 6.708 0.020 1
799 99 99 TYR HD2 H 6.708 0.020 1
800 99 99 TYR HE1 H 6.714 0.020 1
801 99 99 TYR HE2 H 6.714 0.020 1
802 99 99 TYR CA C 60.495 0.400 1
803 99 99 TYR CB C 37.775 0.400 1
804 99 99 TYR CD1 C 132.540 0.400 1
805 99 99 TYR CE1 C 117.810 0.400 1
806 99 99 TYR N N 118.253 0.400 1
807 100 100 ALA H H 8.296 0.020 1
808 100 100 ALA HA H 3.497 0.020 1
809 100 100 ALA HB H 1.509 0.020 1
810 100 100 ALA CA C 55.654 0.400 1
811 100 100 ALA CB C 17.889 0.400 1
812 100 100 ALA N N 120.744 0.400 1
813 101 101 LYS H H 8.016 0.020 1
814 101 101 LYS N N 117.613 0.400 1
815 103 103 MET H H 8.593 0.020 1
816 103 103 MET HA H 4.370 0.020 1
817 103 103 MET HB2 H 2.057 0.020 2
818 103 103 MET HB3 H 1.773 0.020 2
819 103 103 MET HG2 H 2.440 0.020 2
820 103 103 MET HG3 H 2.410 0.020 2
821 103 103 MET CA C 57.069 0.400 1
822 103 103 MET CB C 31.148 0.400 1
823 103 103 MET CG C 32.070 0.400 1
824 103 103 MET N N 115.768 0.400 1
825 104 104 ASN H H 8.055 0.020 1
826 104 104 ASN HA H 4.540 0.020 1
827 104 104 ASN HB2 H 2.984 0.020 2
828 104 104 ASN HB3 H 2.841 0.020 2
829 104 104 ASN CA C 57.648 0.400 1
830 104 104 ASN CB C 39.151 0.400 1
831 104 104 ASN N N 120.736 0.400 1
832 105 105 GLN H H 7.628 0.020 1
833 105 105 GLN HA H 3.978 0.020 1
834 105 105 GLN HB2 H 2.007 0.020 2
835 105 105 GLN HB3 H 1.884 0.020 2
836 105 105 GLN HE21 H 6.981 0.020 2
837 105 105 GLN HE22 H 6.647 0.020 2
838 105 105 GLN HG2 H 2.208 0.020 2
839 105 105 GLN HG3 H 1.959 0.020 2
840 105 105 GLN CA C 58.164 0.400 1
841 105 105 GLN CB C 27.888 0.400 1
842 105 105 GLN CG C 32.967 0.400 1
843 105 105 GLN N N 119.643 0.400 1
844 105 105 GLN NE2 N 110.369 0.400 1
845 106 106 TYR H H 7.393 0.020 1
846 106 106 TYR HA H 4.712 0.020 1
847 106 106 TYR HB2 H 3.555 0.020 2
848 106 106 TYR HB3 H 2.554 0.020 2
849 106 106 TYR HD1 H 7.120 0.020 1
850 106 106 TYR HD2 H 7.120 0.020 1
851 106 106 TYR HE1 H 6.673 0.020 1
852 106 106 TYR HE2 H 6.673 0.020 1
853 106 106 TYR CA C 57.444 0.400 1
854 106 106 TYR CB C 39.168 0.400 1
855 106 106 TYR CD1 C 132.697 0.400 1
856 106 106 TYR CE1 C 117.810 0.400 1
857 106 106 TYR N N 115.807 0.400 1
858 107 107 ARG H H 7.041 0.020 1
859 107 107 ARG HA H 3.657 0.020 1
860 107 107 ARG HB2 H 1.905 0.020 2
861 107 107 ARG HB3 H 1.768 0.020 2
862 107 107 ARG HD2 H 3.271 0.020 2
863 107 107 ARG HD3 H 3.222 0.020 2
864 107 107 ARG HG2 H 1.650 0.020 2
865 107 107 ARG HG3 H 1.647 0.020 2
866 107 107 ARG CA C 58.414 0.400 1
867 107 107 ARG CB C 29.529 0.400 1
868 107 107 ARG CD C 43.100 0.400 1
869 107 107 ARG CG C 26.778 0.400 1
870 107 107 ARG N N 119.080 0.400 1
871 108 108 GLY H H 8.723 0.020 1
872 108 108 GLY HA2 H 4.397 0.020 2
873 108 108 GLY HA3 H 3.543 0.020 2
874 108 108 GLY CA C 44.311 0.400 1
875 108 108 GLY N N 112.166 0.400 1
876 109 109 ILE H H 7.472 0.020 1
877 109 109 ILE HA H 4.332 0.020 1
878 109 109 ILE HB H 2.351 0.020 1
879 109 109 ILE HD1 H 0.943 0.020 1
880 109 109 ILE HG12 H 1.647 0.020 2
881 109 109 ILE HG13 H 1.502 0.020 2
882 109 109 ILE HG2 H 0.960 0.020 1
883 109 109 ILE CA C 61.719 0.400 1
884 109 109 ILE CB C 38.568 0.400 1
885 109 109 ILE CD1 C 13.410 0.400 1
886 109 109 ILE CG1 C 27.650 0.400 1
887 109 109 ILE CG2 C 17.360 0.400 1
888 109 109 ILE N N 114.051 0.400 1
889 110 110 TYR H H 6.219 0.020 1
890 110 110 TYR HA H 6.020 0.020 1
891 110 110 TYR HB2 H 2.428 0.020 2
892 110 110 TYR HB3 H 2.268 0.020 2
893 110 110 TYR HD1 H 6.158 0.020 1
894 110 110 TYR HD2 H 6.158 0.020 1
895 110 110 TYR CA C 52.936 0.400 1
896 110 110 TYR CB C 42.596 0.400 1
897 110 110 TYR CD1 C 132.540 0.400 1
898 110 110 TYR N N 110.810 0.400 1
899 111 111 SER H H 8.128 0.020 1
900 111 111 SER HA H 4.359 0.020 1
901 111 111 SER HB2 H 3.868 0.020 2
902 111 111 SER HB3 H 3.743 0.020 2
903 111 111 SER CA C 56.362 0.400 1
904 111 111 SER CB C 65.290 0.400 1
905 111 111 SER N N 114.948 0.400 1
906 112 112 PHE H H 8.815 0.020 1
907 112 112 PHE HA H 5.591 0.020 1
908 112 112 PHE HB2 H 3.443 0.020 2
909 112 112 PHE HB3 H 3.439 0.020 2
910 112 112 PHE HD1 H 7.031 0.020 1
911 112 112 PHE HD2 H 7.031 0.020 1
912 112 112 PHE HE1 H 6.949 0.020 1
913 112 112 PHE HE2 H 6.949 0.020 1
914 112 112 PHE HZ H 6.843 0.020 1
915 112 112 PHE CA C 57.808 0.400 1
916 112 112 PHE CB C 43.483 0.400 1
917 112 112 PHE CD1 C 131.296 0.400 1
918 112 112 PHE CE1 C 130.617 0.400 1
919 112 112 PHE CZ C 129.110 0.400 1
920 112 112 PHE N N 117.599 0.400 1
921 113 113 GLU H H 9.162 0.020 1
922 113 113 GLU HA H 4.402 0.020 1
923 113 113 GLU HB2 H 1.800 0.020 2
924 113 113 GLU HB3 H 1.669 0.020 2
925 113 113 GLU HG2 H 2.042 0.020 2
926 113 113 GLU HG3 H 1.989 0.020 2
927 113 113 GLU CA C 55.672 0.400 1
928 113 113 GLU CB C 32.280 0.400 1
929 113 113 GLU CG C 35.700 0.400 1
930 113 113 GLU N N 122.812 0.400 1
931 114 114 LYS H H 8.151 0.020 1
932 114 114 LYS HA H 3.629 0.020 1
933 114 114 LYS HB2 H 1.539 0.020 2
934 114 114 LYS HB3 H 1.319 0.020 2
935 114 114 LYS HD2 H 1.457 0.020 2
936 114 114 LYS HD3 H 1.451 0.020 2
937 114 114 LYS HE2 H 2.895 0.020 2
938 114 114 LYS HE3 H 2.894 0.020 2
939 114 114 LYS HG2 H 1.171 0.020 2
940 114 114 LYS HG3 H 1.028 0.020 2
941 114 114 LYS CA C 54.976 0.400 1
942 114 114 LYS CB C 32.266 0.400 1
943 114 114 LYS CD C 28.780 0.400 1
944 114 114 LYS CE C 41.780 0.400 1
945 114 114 LYS CG C 24.019 0.400 1
946 114 114 LYS N N 128.191 0.400 1
947 115 115 VAL H H 8.557 0.020 1
948 115 115 VAL HA H 3.958 0.020 1
949 115 115 VAL HB H 1.880 0.020 1
950 115 115 VAL HG1 H 0.838 0.020 2
951 115 115 VAL HG2 H 0.834 0.020 2
952 115 115 VAL CA C 61.993 0.400 1
953 115 115 VAL CB C 32.808 0.400 1
954 115 115 VAL CG1 C 20.589 0.400 1
955 115 115 VAL CG2 C 20.591 0.400 1
956 115 115 VAL N N 126.471 0.400 1
957 116 116 LYS H H 8.404 0.020 1
958 116 116 LYS HA H 4.276 0.020 1
959 116 116 LYS HB2 H 1.765 0.020 2
960 116 116 LYS HB3 H 1.675 0.020 2
961 116 116 LYS HD2 H 1.661 0.020 2
962 116 116 LYS HD3 H 1.659 0.020 2
963 116 116 LYS HE2 H 2.991 0.020 2
964 116 116 LYS HE3 H 2.988 0.020 2
965 116 116 LYS HG2 H 1.486 0.020 2
966 116 116 LYS HG3 H 1.417 0.020 2
967 116 116 LYS CA C 55.830 0.400 1
968 116 116 LYS CB C 32.812 0.400 1
969 116 116 LYS CD C 28.839 0.400 1
970 116 116 LYS CE C 41.901 0.400 1
971 116 116 LYS CG C 24.714 0.400 1
972 116 116 LYS N N 125.881 0.400 1
973 117 117 ALA H H 8.441 0.020 1
974 117 117 ALA HA H 4.078 0.020 1
975 117 117 ALA HB H 1.241 0.020 1
976 117 117 ALA CA C 52.929 0.400 1
977 117 117 ALA CB C 18.533 0.400 1
978 117 117 ALA N N 125.712 0.400 1
979 118 118 HIS H H 8.251 0.020 1
980 118 118 HIS HA H 4.534 0.020 1
981 118 118 HIS HB2 H 3.283 0.020 2
982 118 118 HIS HB3 H 3.282 0.020 2
983 118 118 HIS HD2 H 7.107 0.020 1
984 118 118 HIS CA C 56.105 0.400 1
985 118 118 HIS CB C 28.158 0.400 1
986 118 118 HIS CD2 C 119.660 0.400 1
987 118 118 HIS N N 119.440 0.400 1
988 119 119 SER H H 7.970 0.020 1
989 119 119 SER HA H 4.605 0.020 1
990 119 119 SER HB2 H 3.875 0.020 2
991 119 119 SER HB3 H 3.794 0.020 2
992 119 119 SER CA C 57.921 0.400 1
993 119 119 SER CB C 64.048 0.400 1
994 119 119 SER N N 114.111 0.400 1
995 120 120 GLY H H 8.534 0.020 1
996 120 120 GLY HA2 H 3.972 0.020 2
997 120 120 GLY HA3 H 3.917 0.020 2
998 120 120 GLY CA C 45.465 0.400 1
999 120 120 GLY N N 111.208 0.400 1
1000 121 121 ASN H H 8.656 0.020 1
1001 121 121 ASN HA H 4.784 0.020 1
1002 121 121 ASN HB2 H 3.038 0.020 2
1003 121 121 ASN HB3 H 2.943 0.020 2
1004 121 121 ASN CA C 52.348 0.400 1
1005 121 121 ASN CB C 39.732 0.400 1
1006 121 121 ASN N N 119.906 0.400 1
1007 122 122 GLU H H 9.060 0.020 1
1008 122 122 GLU HA H 4.016 0.020 1
1009 122 122 GLU HB2 H 1.625 0.020 2
1010 122 122 GLU HB3 H 1.608 0.020 2
1011 122 122 GLU HG2 H 1.337 0.020 2
1012 122 122 GLU HG3 H 1.334 0.020 2
1013 122 122 GLU CA C 58.417 0.400 1
1014 122 122 GLU CB C 28.747 0.400 1
1015 122 122 GLU CG C 34.342 0.400 1
1016 122 122 GLU N N 120.320 0.400 1
1017 123 123 PHE H H 7.969 0.020 1
1018 123 123 PHE HA H 4.154 0.020 1
1019 123 123 PHE HB2 H 1.933 0.020 2
1020 123 123 PHE HB3 H 1.651 0.020 2
1021 123 123 PHE HD1 H 6.755 0.020 1
1022 123 123 PHE HD2 H 6.755 0.020 1
1023 123 123 PHE HE1 H 7.061 0.020 1
1024 123 123 PHE HE2 H 7.061 0.020 1
1025 123 123 PHE HZ H 6.947 0.020 1
1026 123 123 PHE CA C 60.514 0.400 1
1027 123 123 PHE CB C 35.332 0.400 1
1028 123 123 PHE CD1 C 130.623 0.400 1
1029 123 123 PHE CE1 C 131.322 0.400 1
1030 123 123 PHE CZ C 129.256 0.400 1
1031 123 123 PHE N N 121.560 0.400 1
1032 124 124 ASN H H 7.716 0.020 1
1033 124 124 ASN HA H 4.584 0.020 1
1034 124 124 ASN HB2 H 3.010 0.020 2
1035 124 124 ASN HB3 H 2.838 0.020 2
1036 124 124 ASN CA C 57.778 0.400 1
1037 124 124 ASN CB C 39.208 0.400 1
1038 124 124 ASN N N 118.664 0.400 1
1039 125 125 ASP H H 7.819 0.020 1
1040 125 125 ASP HA H 4.325 0.020 1
1041 125 125 ASP HB2 H 2.647 0.020 2
1042 125 125 ASP HB3 H 2.633 0.020 2
1043 125 125 ASP CA C 57.354 0.400 1
1044 125 125 ASP CB C 39.868 0.400 1
1045 125 125 ASP N N 118.764 0.400 1
1046 126 126 TYR H H 7.860 0.020 1
1047 126 126 TYR HA H 4.121 0.020 1
1048 126 126 TYR HB2 H 3.225 0.020 2
1049 126 126 TYR HB3 H 3.161 0.020 2
1050 126 126 TYR HD1 H 6.913 0.020 1
1051 126 126 TYR HD2 H 6.913 0.020 1
1052 126 126 TYR HE1 H 6.714 0.020 1
1053 126 126 TYR HE2 H 6.714 0.020 1
1054 126 126 TYR CA C 61.993 0.400 1
1055 126 126 TYR CB C 38.480 0.400 1
1056 126 126 TYR CD1 C 132.019 0.400 1
1057 126 126 TYR CE1 C 117.570 0.400 1
1058 126 126 TYR N N 120.561 0.400 1
1059 127 127 VAL H H 7.868 0.020 1
1060 127 127 VAL HA H 3.737 0.020 1
1061 127 127 VAL HB H 2.101 0.020 1
1062 127 127 VAL HG1 H 1.347 0.020 1
1063 127 127 VAL HG2 H 1.141 0.020 1
1064 127 127 VAL CA C 65.528 0.400 1
1065 127 127 VAL CB C 30.909 0.400 1
1066 127 127 VAL CG1 C 21.279 0.400 1
1067 127 127 VAL CG2 C 24.064 0.400 1
1068 127 127 VAL N N 111.213 0.400 1
1069 128 128 ASP H H 7.760 0.020 1
1070 128 128 ASP HA H 4.361 0.020 1
1071 128 128 ASP HB2 H 2.919 0.020 2
1072 128 128 ASP HB3 H 2.758 0.020 2
1073 128 128 ASP CA C 57.613 0.400 1
1074 128 128 ASP CB C 42.328 0.400 1
1075 128 128 ASP N N 122.787 0.400 1
1076 129 129 MET H H 7.925 0.020 1
1077 129 129 MET HA H 3.923 0.020 1
1078 129 129 MET HB2 H 2.090 0.020 2
1079 129 129 MET HB3 H 2.083 0.020 2
1080 129 129 MET HE H 1.879 0.020 1
1081 129 129 MET HG2 H 2.383 0.020 2
1082 129 129 MET HG3 H 2.371 0.020 2
1083 129 129 MET CA C 58.448 0.400 1
1084 129 129 MET CB C 30.915 0.400 1
1085 129 129 MET CE C 16.457 0.400 1
1086 129 129 MET CG C 31.593 0.400 1
1087 129 129 MET N N 117.003 0.400 1
1088 130 130 LYS H H 8.066 0.020 1
1089 130 130 LYS HA H 3.650 0.020 1
1090 130 130 LYS HB2 H 1.529 0.020 2
1091 130 130 LYS HB3 H 1.328 0.020 2
1092 130 130 LYS HD2 H 1.614 0.020 2
1093 130 130 LYS HD3 H 1.336 0.020 2
1094 130 130 LYS HE2 H 2.894 0.020 2
1095 130 130 LYS HE3 H 2.892 0.020 2
1096 130 130 LYS HG2 H 1.156 0.020 2
1097 130 130 LYS HG3 H 0.910 0.020 2
1098 130 130 LYS CA C 58.450 0.400 1
1099 130 130 LYS CB C 31.760 0.400 1
1100 130 130 LYS CD C 28.780 0.400 1
1101 130 130 LYS CE C 41.780 0.400 1
1102 130 130 LYS CG C 23.344 0.400 1
1103 130 130 LYS N N 121.142 0.400 1
1104 131 131 ALA H H 8.081 0.020 1
1105 131 131 ALA HA H 3.630 0.020 1
1106 131 131 ALA HB H 1.272 0.020 1
1107 131 131 ALA CA C 55.016 0.400 1
1108 131 131 ALA CB C 16.472 0.400 1
1109 131 131 ALA N N 122.402 0.400 1
1110 132 132 LYS H H 7.853 0.020 1
1111 132 132 LYS HA H 3.700 0.020 1
1112 132 132 LYS HB2 H 1.666 0.020 2
1113 132 132 LYS HB3 H 1.636 0.020 2
1114 132 132 LYS HD2 H 1.478 0.020 2
1115 132 132 LYS HD3 H 1.471 0.020 2
1116 132 132 LYS HE2 H 2.931 0.020 2
1117 132 132 LYS HE3 H 2.931 0.020 2
1118 132 132 LYS HG2 H 1.224 0.020 2
1119 132 132 LYS HG3 H 1.215 0.020 2
1120 132 132 LYS CA C 59.816 0.400 1
1121 132 132 LYS CB C 26.846 0.400 1
1122 132 132 LYS CD C 28.780 0.400 1
1123 132 132 LYS CE C 41.780 0.400 1
1124 132 132 LYS CG C 26.811 0.400 1
1125 132 132 LYS N N 116.172 0.400 1
1126 133 133 SER H H 8.438 0.020 1
1127 133 133 SER HA H 4.081 0.020 1
1128 133 133 SER HB2 H 3.831 0.020 2
1129 133 133 SER HB3 H 3.783 0.020 2
1130 133 133 SER CA C 61.313 0.400 1
1131 133 133 SER CB C 62.531 0.400 1
1132 133 133 SER N N 115.225 0.400 1
1133 134 134 ALA H H 7.359 0.020 1
1134 134 134 ALA HA H 3.919 0.020 1
1135 134 134 ALA HB H 1.091 0.020 1
1136 134 134 ALA CA C 54.250 0.400 1
1137 134 134 ALA CB C 16.490 0.400 1
1138 134 134 ALA N N 124.474 0.400 1
1139 135 135 LEU H H 6.842 0.020 1
1140 135 135 LEU HA H 4.064 0.020 1
1141 135 135 LEU HB2 H 1.589 0.020 2
1142 135 135 LEU HB3 H 1.566 0.020 2
1143 135 135 LEU HD1 H 0.750 0.020 1
1144 135 135 LEU HD2 H 0.628 0.020 1
1145 135 135 LEU HG H 1.464 0.020 1
1146 135 135 LEU CA C 54.291 0.400 1
1147 135 135 LEU CB C 41.904 0.400 1
1148 135 135 LEU CD1 C 20.586 0.400 1
1149 135 135 LEU CD2 C 23.339 0.400 1
1150 135 135 LEU CG C 26.770 0.400 1
1151 135 135 LEU N N 114.515 0.400 1
1152 136 136 GLY H H 7.705 0.020 1
1153 136 136 GLY HA2 H 3.937 0.020 2
1154 136 136 GLY HA3 H 3.707 0.020 2
1155 136 136 GLY CA C 45.367 0.400 1
1156 136 136 GLY N N 107.076 0.400 1
1157 137 137 ILE H H 7.565 0.020 1
1158 137 137 ILE HA H 3.967 0.020 1
1159 137 137 ILE HB H 1.648 0.020 1
1160 137 137 ILE HD1 H 0.765 0.020 1
1161 137 137 ILE HG12 H 1.309 0.020 2
1162 137 137 ILE HG13 H 0.992 0.020 2
1163 137 137 ILE HG2 H 0.778 0.020 1
1164 137 137 ILE CA C 61.328 0.400 1
1165 137 137 ILE CB C 37.996 0.400 1
1166 137 137 ILE CD1 C 13.019 0.400 1
1167 137 137 ILE CG1 C 27.650 0.400 1
1168 137 137 ILE CG2 C 17.360 0.400 1
1169 137 137 ILE N N 119.376 0.400 1
1170 138 138 ARG H H 8.211 0.020 1
1171 138 138 ARG HA H 4.256 0.020 1
1172 138 138 ARG HB2 H 1.751 0.020 2
1173 138 138 ARG HB3 H 1.620 0.020 2
1174 138 138 ARG HD2 H 3.079 0.020 2
1175 138 138 ARG HD3 H 3.078 0.020 2
1176 138 138 ARG HG2 H 1.499 0.020 2
1177 138 138 ARG HG3 H 1.498 0.020 2
1178 138 138 ARG CA C 55.448 0.400 1
1179 138 138 ARG CB C 30.992 0.400 1
1180 138 138 ARG CD C 42.603 0.400 1
1181 138 138 ARG CG C 26.781 0.400 1
1182 138 138 ARG N N 124.877 0.400 1
1183 139 139 ASP H H 8.248 0.020 1
1184 139 139 ASP HA H 4.540 0.020 1
1185 139 139 ASP HB2 H 2.675 0.020 2
1186 139 139 ASP HB3 H 2.528 0.020 2
1187 139 139 ASP CA C 53.924 0.400 1
1188 139 139 ASP CB C 40.799 0.400 1
1189 139 139 ASP N N 121.147 0.400 1
1190 140 140 LEU H H 8.195 0.020 1
1191 140 140 LEU HA H 4.164 0.020 1
1192 140 140 LEU HB2 H 1.520 0.020 2
1193 140 140 LEU HB3 H 1.496 0.020 2
1194 140 140 LEU HD1 H 0.746 0.020 1
1195 140 140 LEU HD2 H 0.743 0.020 1
1196 140 140 LEU HG H 1.540 0.020 1
1197 140 140 LEU CA C 54.980 0.400 1
1198 140 140 LEU CB C 42.074 0.400 1
1199 140 140 LEU CD1 C 22.647 0.400 1
1200 140 140 LEU CD2 C 23.308 0.400 1
1201 140 140 LEU CG C 26.770 0.400 1
1202 140 140 LEU N N 122.330 0.400 1
1203 141 141 GLU H H 8.257 0.020 1
1204 141 141 GLU HA H 4.091 0.020 1
1205 141 141 GLU HB2 H 1.822 0.020 2
1206 141 141 GLU HB3 H 1.816 0.020 2
1207 141 141 GLU HG2 H 2.310 0.020 2
1208 141 141 GLU HG3 H 2.310 0.020 2
1209 141 141 GLU CA C 56.692 0.400 1
1210 141 141 GLU CB C 30.000 0.400 1
1211 141 141 GLU CG C 36.010 0.400 1
1212 141 141 GLU N N 119.941 0.400 1
1213 142 142 HIS H H 8.127 0.020 1
1214 142 142 HIS HA H 4.568 0.020 1
1215 142 142 HIS HB2 H 3.086 0.020 2
1216 142 142 HIS HB3 H 3.067 0.020 2
1217 142 142 HIS HD2 H 7.080 0.020 1
1218 142 142 HIS HE1 H 8.080 0.020 1
1219 142 142 HIS CA C 55.848 0.400 1
1220 142 142 HIS CB C 30.012 0.400 1
1221 142 142 HIS CD2 C 119.840 0.400 1
1222 142 142 HIS CE1 C 136.050 0.400 1
1223 142 142 HIS N N 118.466 0.400 1
1224 143 143 HIS H H 8.106 0.020 1
1225 143 143 HIS HA H 4.620 0.020 1
1226 143 143 HIS HB2 H 3.120 0.020 2
1227 143 143 HIS HB3 H 3.110 0.020 2
1228 143 143 HIS HD2 H 7.080 0.020 1
1229 143 143 HIS HE1 H 8.080 0.020 1
1230 143 143 HIS CA C 57.128 0.400 1
1231 143 143 HIS CB C 30.000 0.400 1
1232 143 143 HIS CD2 C 119.840 0.400 1
1233 143 143 HIS CE1 C 136.050 0.400 1
1234 143 143 HIS N N 125.216 0.400 1
stop_
save_