data_15804
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution NMR Structure of M. thermoautotrophicum protein MTH_1000, Northeast Structural Genomics Consortium Target TR8
;
_BMRB_accession_number 15804
_BMRB_flat_file_name bmr15804.str
_Entry_type original
_Submission_date 2008-06-13
_Accession_date 2008-06-13
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Eletsky Alexander . .
2 Sukumaran Dinesh . .
3 Semesi Anthony . .
4 Guido Valerie . .
5 Yee Adelinda . .
6 Arrowsmith Cheryl . .
7 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" 801
"13C chemical shifts" 613
"15N chemical shifts" 136
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-06-02 update BMRB 'edit assembly name'
2008-06-23 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution NMR Structure of M. thermoautotrophicum protein MTH_1000, Northeast Structural Genomics Consortium Target TR8'
_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 Eletsky Alexander . .
2 Sukumaran Dinesh . .
3 Semesi Anthony . .
4 Guido Valerie . .
5 Yee Adelinda . .
6 Arrowsmith Cheryl . .
7 Szyperski Thomas . .
stop_
_Journal_abbreviation 'Proteins: Struct. Funct. Genet.'
_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 TR8_protein
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
TR8_protein $TR8_protein
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_TR8_protein
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common TR8_protein
_Molecular_mass 17284.062
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 153
_Mol_residue_sequence
;
MGSSHHHHHHSSGLVPRGSH
MWNDLAVYIIRCSGPGTRVV
EVGAGRFLYVSDYIRKHSKV
DLVLTDIKPSHGGIVRDDIT
SPRMEIYRGAALIYSIRPPA
EIHSSLMRVADAVGARLIIK
PLTGEDIVTERKMKLVNYGR
TYFYEYIAEVRSR
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLY 3 SER 4 SER 5 HIS
6 HIS 7 HIS 8 HIS 9 HIS 10 HIS
11 SER 12 SER 13 GLY 14 LEU 15 VAL
16 PRO 17 ARG 18 GLY 19 SER 20 HIS
21 MET 22 TRP 23 ASN 24 ASP 25 LEU
26 ALA 27 VAL 28 TYR 29 ILE 30 ILE
31 ARG 32 CYS 33 SER 34 GLY 35 PRO
36 GLY 37 THR 38 ARG 39 VAL 40 VAL
41 GLU 42 VAL 43 GLY 44 ALA 45 GLY
46 ARG 47 PHE 48 LEU 49 TYR 50 VAL
51 SER 52 ASP 53 TYR 54 ILE 55 ARG
56 LYS 57 HIS 58 SER 59 LYS 60 VAL
61 ASP 62 LEU 63 VAL 64 LEU 65 THR
66 ASP 67 ILE 68 LYS 69 PRO 70 SER
71 HIS 72 GLY 73 GLY 74 ILE 75 VAL
76 ARG 77 ASP 78 ASP 79 ILE 80 THR
81 SER 82 PRO 83 ARG 84 MET 85 GLU
86 ILE 87 TYR 88 ARG 89 GLY 90 ALA
91 ALA 92 LEU 93 ILE 94 TYR 95 SER
96 ILE 97 ARG 98 PRO 99 PRO 100 ALA
101 GLU 102 ILE 103 HIS 104 SER 105 SER
106 LEU 107 MET 108 ARG 109 VAL 110 ALA
111 ASP 112 ALA 113 VAL 114 GLY 115 ALA
116 ARG 117 LEU 118 ILE 119 ILE 120 LYS
121 PRO 122 LEU 123 THR 124 GLY 125 GLU
126 ASP 127 ILE 128 VAL 129 THR 130 GLU
131 ARG 132 LYS 133 MET 134 LYS 135 LEU
136 VAL 137 ASN 138 TYR 139 GLY 140 ARG
141 THR 142 TYR 143 PHE 144 TYR 145 GLU
146 TYR 147 ILE 148 ALA 149 GLU 150 VAL
151 ARG 152 SER 153 ARG
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-08-05
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 2K4M "Solution Nmr Structure Of M. Thermoautotrophicum Protein Mth_1000, Northeast Structural Genomics Consortium Target Tr8" 100.00 153 100.00 100.00 9.61e-105
GB AAB85479 "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" 86.93 133 100.00 100.00 4.88e-89
REF WP_010876631 "hypothetical protein [Methanothermobacter thermautotrophicus]" 86.93 133 100.00 100.00 4.88e-89
SP O27081 "RecName: Full=UPF0146 protein MTH_1000" 86.93 133 100.00 100.00 4.88e-89
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$TR8_protein 'Methanobacterium thermoautotrophicum' 145262 Archaea . Methanobacterium thermoautotrophicum
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
$TR8_protein 'recombinant technology' . Escherichia coli 'BL21 DE3 gold magic' pET15b
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
$TR8_protein 0.8 mM '[U-100% 13C; U-100% 15N]'
'sodium phosphate' 10 mM 'natural abundance'
'sodium chloride' 300 mM 'natural abundance'
benzamidine 1 mM 'natural abundance'
DTT 10 mM 'natural abundance'
stop_
save_
save_NC5
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$TR8_protein 0.8 mM '[U-5% 13C; U-100% 15N]'
'sodium phosphate' 10 mM 'natural abundance'
'sodium chloride' 450 mM 'natural abundance'
benzamidine 1 mM 'natural abundance'
DTT 10 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 1.3
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
processing
stop_
_Details .
save_
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_VNMRJ
_Saveframe_category software
_Name VNMRJ
_Version 2.1B
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_PROSA
_Saveframe_category software
_Name PROSA
_Version 6.0.2
loop_
_Vendor
_Address
_Electronic_address
Guntert . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_XEASY
_Saveframe_category software
_Name XEASY
_Version 1.3.13
loop_
_Vendor
_Address
_Electronic_address
'Bartels et al.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CARA
_Saveframe_category software
_Name CARA
_Version 1.8.4
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
'peak picking'
stop_
_Details .
save_
save_CSI
_Saveframe_category software
_Name CSI
_Version 2.0
loop_
_Vendor
_Address
_Electronic_address
'Wishart and Sykes' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version 2003.027.13.05
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_AutoStructure
_Saveframe_category software
_Name AutoStruct
_Version 2.2.1
loop_
_Vendor
_Address
_Electronic_address
'Huang, Tejero, Powers and Montelione' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_AutoAssign
_Saveframe_category software
_Name AutoAssign
_Version 1.15.1
loop_
_Vendor
_Address
_Electronic_address
'Zimmerman, Moseley, Kulikowski and Montelione' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.2
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_PSVS
_Saveframe_category software
_Name PSVS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bhattacharya and Montelione' . .
stop_
loop_
_Task
'structure validation'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_800
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
save_600
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
save_750
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 750
_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_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $NC
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $NC
save_
save_3D_HNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $NC
save_
save_3D_CBCA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_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_1H-15N,13Cali,13Caro_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N,13Cali,13Caro NOESY'
_Sample_label $NC
save_
save_3D_HCCH-COSY_aliphatic_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY aliphatic'
_Sample_label $NC
save_
save_3D_HCCH-TOCSY_aliphatic_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY aliphatic'
_Sample_label $NC
save_
save_3D_HCCH-COSY_aromatic_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY aromatic'
_Sample_label $NC
save_
save_2D_1H-13C_HSQC_methyl_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC methyl'
_Sample_label $NC5
save_
save_2D_LR_1H-15N_HSQC_(His)_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D LR 1H-15N HSQC (His)'
_Sample_label $NC5
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_NC
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 300 . mM
pH 6.5 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
save_sample_conditions_NC5
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 450 . 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 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 . 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
$CARA
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D HNCO'
'3D 1H-15N,13Cali,13Caro NOESY'
stop_
loop_
_Sample_label
$NC
stop_
_Sample_conditions_label $sample_conditions_NC
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name TR8_protein
_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 12 12 SER H H 8.498 0.020 1
2 12 12 SER HA H 4.490 0.020 1
3 12 12 SER HB2 H 3.924 0.020 2
4 12 12 SER HB3 H 3.924 0.020 2
5 12 12 SER C C 175.018 0.400 1
6 12 12 SER CA C 58.679 0.400 1
7 12 12 SER CB C 63.804 0.400 1
8 12 12 SER N N 118.192 0.400 1
9 13 13 GLY H H 8.418 0.020 1
10 13 13 GLY HA2 H 4.000 0.020 2
11 13 13 GLY HA3 H 4.000 0.020 2
12 13 13 GLY C C 173.899 0.400 1
13 13 13 GLY CA C 45.326 0.400 1
14 13 13 GLY N N 110.530 0.400 1
15 14 14 LEU H H 8.068 0.020 1
16 14 14 LEU HA H 4.391 0.020 1
17 14 14 LEU HB2 H 1.589 0.020 2
18 14 14 LEU HB3 H 1.650 0.020 2
19 14 14 LEU HD1 H 0.922 0.020 2
20 14 14 LEU HD2 H 0.872 0.020 2
21 14 14 LEU HG H 1.602 0.020 1
22 14 14 LEU C C 177.201 0.400 1
23 14 14 LEU CA C 55.097 0.400 1
24 14 14 LEU CB C 42.421 0.400 1
25 14 14 LEU CD1 C 24.949 0.400 1
26 14 14 LEU CD2 C 23.479 0.400 1
27 14 14 LEU CG C 27.046 0.400 1
28 14 14 LEU N N 121.537 0.400 1
29 15 15 VAL H H 8.136 0.020 1
30 15 15 VAL HA H 4.430 0.020 1
31 15 15 VAL HB H 2.094 0.020 1
32 15 15 VAL HG1 H 0.971 0.020 2
33 15 15 VAL HG2 H 0.971 0.020 2
34 15 15 VAL CA C 59.772 0.400 1
35 15 15 VAL CB C 32.641 0.400 1
36 15 15 VAL CG1 C 20.431 0.400 1
37 15 15 VAL CG2 C 20.431 0.400 1
38 15 15 VAL N N 122.532 0.400 1
39 16 16 PRO HA H 4.473 0.020 1
40 16 16 PRO HB2 H 1.904 0.020 2
41 16 16 PRO HB3 H 2.318 0.020 2
42 16 16 PRO HD2 H 3.813 0.020 2
43 16 16 PRO HD3 H 3.464 0.020 2
44 16 16 PRO HG2 H 1.852 0.020 2
45 16 16 PRO HG3 H 1.852 0.020 2
46 16 16 PRO C C 176.890 0.400 1
47 16 16 PRO CA C 63.079 0.400 1
48 16 16 PRO CB C 32.070 0.400 1
49 16 16 PRO CD C 50.935 0.400 1
50 16 16 PRO CG C 27.323 0.400 1
51 17 17 ARG H H 8.514 0.020 1
52 17 17 ARG HA H 4.325 0.020 1
53 17 17 ARG HB2 H 1.885 0.020 2
54 17 17 ARG HB3 H 1.885 0.020 2
55 17 17 ARG HD2 H 3.243 0.020 2
56 17 17 ARG HD3 H 3.243 0.020 2
57 17 17 ARG HG2 H 1.731 0.020 2
58 17 17 ARG HG3 H 1.731 0.020 2
59 17 17 ARG C C 177.341 0.400 1
60 17 17 ARG CA C 56.815 0.400 1
61 17 17 ARG CB C 30.754 0.400 1
62 17 17 ARG CD C 43.433 0.400 1
63 17 17 ARG CG C 27.165 0.400 1
64 17 17 ARG N N 121.633 0.400 1
65 18 18 GLY H H 8.658 0.020 1
66 18 18 GLY HA2 H 3.925 0.020 2
67 18 18 GLY HA3 H 3.925 0.020 2
68 18 18 GLY C C 174.795 0.400 1
69 18 18 GLY CA C 45.646 0.400 1
70 18 18 GLY N N 110.228 0.400 1
71 19 19 SER H H 8.008 0.020 1
72 19 19 SER HA H 4.292 0.020 1
73 19 19 SER HB2 H 3.919 0.020 2
74 19 19 SER HB3 H 3.919 0.020 2
75 19 19 SER CA C 59.975 0.400 1
76 19 19 SER CB C 63.335 0.400 1
77 19 19 SER N N 114.496 0.400 1
78 21 21 MET H H 7.949 0.020 1
79 21 21 MET HA H 3.923 0.020 1
80 21 21 MET C C 177.593 0.400 1
81 21 21 MET N N 117.673 0.400 1
82 22 22 TRP H H 7.267 0.020 1
83 22 22 TRP HA H 4.733 0.020 1
84 22 22 TRP HB2 H 3.479 0.020 2
85 22 22 TRP HB3 H 3.172 0.020 2
86 22 22 TRP HD1 H 7.144 0.020 1
87 22 22 TRP HE1 H 10.385 0.020 1
88 22 22 TRP HE3 H 7.599 0.020 1
89 22 22 TRP HH2 H 6.987 0.020 1
90 22 22 TRP HZ2 H 7.446 0.020 1
91 22 22 TRP HZ3 H 6.930 0.020 1
92 22 22 TRP C C 177.929 0.400 1
93 22 22 TRP CA C 58.501 0.400 1
94 22 22 TRP CB C 30.455 0.400 1
95 22 22 TRP CD1 C 128.001 0.400 1
96 22 22 TRP CE3 C 119.732 0.400 1
97 22 22 TRP CH2 C 123.786 0.400 1
98 22 22 TRP CZ2 C 116.011 0.400 1
99 22 22 TRP CZ3 C 120.909 0.400 1
100 22 22 TRP N N 119.847 0.400 1
101 22 22 TRP NE1 N 130.326 0.400 1
102 23 23 ASN H H 8.416 0.020 1
103 23 23 ASN HA H 3.773 0.020 1
104 23 23 ASN HB2 H 2.967 0.020 2
105 23 23 ASN HB3 H 2.633 0.020 2
106 23 23 ASN HD21 H 7.666 0.020 2
107 23 23 ASN HD22 H 6.924 0.020 2
108 23 23 ASN C C 176.754 0.400 1
109 23 23 ASN CA C 55.832 0.400 1
110 23 23 ASN CB C 36.866 0.400 1
111 23 23 ASN N N 119.813 0.400 1
112 23 23 ASN ND2 N 108.998 0.400 1
113 24 24 ASP H H 7.850 0.020 1
114 24 24 ASP HA H 4.553 0.020 1
115 24 24 ASP HB2 H 2.763 0.020 2
116 24 24 ASP HB3 H 2.836 0.020 2
117 24 24 ASP C C 177.733 0.400 1
118 24 24 ASP CA C 58.009 0.400 1
119 24 24 ASP CB C 40.035 0.400 1
120 24 24 ASP N N 118.397 0.400 1
121 25 25 LEU H H 7.137 0.020 1
122 25 25 LEU HA H 3.901 0.020 1
123 25 25 LEU HB2 H 1.542 0.020 1
124 25 25 LEU HB3 H 2.186 0.020 1
125 25 25 LEU HD1 H 0.329 0.020 1
126 25 25 LEU HD2 H 1.042 0.020 1
127 25 25 LEU HG H 1.348 0.020 1
128 25 25 LEU C C 177.061 0.400 1
129 25 25 LEU CA C 57.932 0.400 1
130 25 25 LEU CB C 41.620 0.400 1
131 25 25 LEU CD1 C 23.038 0.400 1
132 25 25 LEU CD2 C 26.687 0.400 1
133 25 25 LEU CG C 27.036 0.400 1
134 25 25 LEU N N 119.143 0.400 1
135 26 26 ALA H H 7.894 0.020 1
136 26 26 ALA HA H 3.652 0.020 1
137 26 26 ALA HB H 1.352 0.020 1
138 26 26 ALA C C 178.881 0.400 1
139 26 26 ALA CA C 55.449 0.400 1
140 26 26 ALA CB C 19.647 0.400 1
141 26 26 ALA N N 119.354 0.400 1
142 27 27 VAL H H 8.612 0.020 1
143 27 27 VAL HA H 3.508 0.020 1
144 27 27 VAL HB H 2.277 0.020 1
145 27 27 VAL HG1 H 1.056 0.020 1
146 27 27 VAL HG2 H 1.138 0.020 1
147 27 27 VAL C C 177.873 0.400 1
148 27 27 VAL CA C 67.115 0.400 1
149 27 27 VAL CB C 31.686 0.400 1
150 27 27 VAL CG1 C 21.585 0.400 1
151 27 27 VAL CG2 C 23.898 0.400 1
152 27 27 VAL N N 117.004 0.400 1
153 28 28 TYR H H 7.958 0.020 1
154 28 28 TYR HA H 3.334 0.020 1
155 28 28 TYR HB2 H 2.735 0.020 1
156 28 28 TYR HB3 H 2.559 0.020 1
157 28 28 TYR HD1 H 5.955 0.020 1
158 28 28 TYR HD2 H 5.955 0.020 1
159 28 28 TYR HE1 H 6.683 0.020 1
160 28 28 TYR HE2 H 6.683 0.020 1
161 28 28 TYR C C 177.649 0.400 1
162 28 28 TYR CA C 62.719 0.400 1
163 28 28 TYR CB C 37.709 0.400 1
164 28 28 TYR CD1 C 132.528 0.400 1
165 28 28 TYR CD2 C 132.528 0.400 1
166 28 28 TYR CE1 C 118.545 0.400 1
167 28 28 TYR CE2 C 118.545 0.400 1
168 28 28 TYR N N 121.890 0.400 1
169 29 29 ILE H H 7.891 0.020 1
170 29 29 ILE HA H 3.088 0.020 1
171 29 29 ILE HB H 1.753 0.020 1
172 29 29 ILE HD1 H -0.360 0.020 1
173 29 29 ILE HG12 H 1.437 0.020 2
174 29 29 ILE HG13 H 0.412 0.020 2
175 29 29 ILE HG2 H 0.602 0.020 1
176 29 29 ILE C C 178.993 0.400 1
177 29 29 ILE CA C 65.842 0.400 1
178 29 29 ILE CB C 37.587 0.400 1
179 29 29 ILE CD1 C 12.210 0.400 1
180 29 29 ILE CG1 C 30.092 0.400 1
181 29 29 ILE CG2 C 17.086 0.400 1
182 29 29 ILE N N 118.733 0.400 1
183 30 30 ILE H H 8.364 0.020 1
184 30 30 ILE HA H 3.334 0.020 1
185 30 30 ILE HB H 2.009 0.020 1
186 30 30 ILE HD1 H 1.018 0.020 1
187 30 30 ILE HG12 H 0.910 0.020 1
188 30 30 ILE HG13 H 1.953 0.020 1
189 30 30 ILE HG2 H 0.952 0.020 1
190 30 30 ILE C C 179.077 0.400 1
191 30 30 ILE CA C 66.133 0.400 1
192 30 30 ILE CB C 38.253 0.400 1
193 30 30 ILE CD1 C 14.202 0.400 1
194 30 30 ILE CG1 C 29.468 0.400 1
195 30 30 ILE CG2 C 17.373 0.400 1
196 30 30 ILE N N 121.701 0.400 1
197 31 31 ARG H H 8.509 0.020 1
198 31 31 ARG HA H 3.937 0.020 1
199 31 31 ARG HB2 H 1.747 0.020 2
200 31 31 ARG HB3 H 1.747 0.020 2
201 31 31 ARG HD2 H 2.917 0.020 2
202 31 31 ARG HD3 H 3.121 0.020 2
203 31 31 ARG HG2 H 1.759 0.020 1
204 31 31 ARG HG3 H 1.603 0.020 1
205 31 31 ARG C C 178.265 0.400 1
206 31 31 ARG CA C 58.905 0.400 1
207 31 31 ARG CB C 29.833 0.400 1
208 31 31 ARG CD C 43.584 0.400 1
209 31 31 ARG CG C 27.606 0.400 1
210 31 31 ARG N N 120.473 0.400 1
211 32 32 CYS H H 7.413 0.020 1
212 32 32 CYS HA H 4.208 0.020 1
213 32 32 CYS HB2 H 2.560 0.020 2
214 32 32 CYS HB3 H 2.560 0.020 2
215 32 32 CYS C C 173.647 0.400 1
216 32 32 CYS CA C 60.313 0.400 1
217 32 32 CYS CB C 28.085 0.400 1
218 32 32 CYS N N 113.752 0.400 1
219 33 33 SER H H 7.547 0.020 1
220 33 33 SER HA H 4.351 0.020 1
221 33 33 SER HB2 H 3.432 0.020 1
222 33 33 SER HB3 H 4.025 0.020 1
223 33 33 SER HG H 4.897 0.020 1
224 33 33 SER C C 173.955 0.400 1
225 33 33 SER CA C 57.669 0.400 1
226 33 33 SER CB C 63.552 0.400 1
227 33 33 SER N N 115.723 0.400 1
228 34 34 GLY H H 7.975 0.020 1
229 34 34 GLY HA2 H 4.414 0.020 2
230 34 34 GLY HA3 H 3.959 0.020 2
231 34 34 GLY CA C 44.359 0.400 1
232 34 34 GLY N N 110.379 0.400 1
233 35 35 PRO HA H 4.023 0.020 1
234 35 35 PRO HB2 H 1.995 0.020 2
235 35 35 PRO HB3 H 2.276 0.020 2
236 35 35 PRO HD2 H 3.663 0.020 2
237 35 35 PRO HD3 H 3.663 0.020 2
238 35 35 PRO HG2 H 2.161 0.020 2
239 35 35 PRO HG3 H 2.099 0.020 2
240 35 35 PRO C C 178.461 0.400 1
241 35 35 PRO CA C 63.746 0.400 1
242 35 35 PRO CB C 31.515 0.400 1
243 35 35 PRO CD C 49.647 0.400 1
244 35 35 PRO CG C 27.592 0.400 1
245 36 36 GLY H H 8.517 0.020 1
246 36 36 GLY HA2 H 4.171 0.020 2
247 36 36 GLY HA3 H 3.837 0.020 2
248 36 36 GLY C C 174.235 0.400 1
249 36 36 GLY CA C 45.624 0.400 1
250 36 36 GLY N N 111.340 0.400 1
251 37 37 THR H H 7.658 0.020 1
252 37 37 THR HA H 4.444 0.020 1
253 37 37 THR HB H 4.111 0.020 1
254 37 37 THR HG2 H 1.088 0.020 1
255 37 37 THR C C 172.779 0.400 1
256 37 37 THR CA C 61.660 0.400 1
257 37 37 THR CB C 70.747 0.400 1
258 37 37 THR CG2 C 22.193 0.400 1
259 37 37 THR N N 112.327 0.400 1
260 38 38 ARG H H 8.806 0.020 1
261 38 38 ARG HA H 5.423 0.020 1
262 38 38 ARG HB2 H 1.950 0.020 2
263 38 38 ARG HB3 H 1.769 0.020 2
264 38 38 ARG HD2 H 3.224 0.020 2
265 38 38 ARG HD3 H 3.224 0.020 2
266 38 38 ARG HG2 H 1.554 0.020 2
267 38 38 ARG HG3 H 1.554 0.020 2
268 38 38 ARG C C 174.543 0.400 1
269 38 38 ARG CA C 54.708 0.400 1
270 38 38 ARG CB C 31.035 0.400 1
271 38 38 ARG CD C 43.443 0.400 1
272 38 38 ARG CG C 27.417 0.400 1
273 38 38 ARG N N 123.306 0.400 1
274 39 39 VAL H H 8.652 0.020 1
275 39 39 VAL HA H 5.138 0.020 1
276 39 39 VAL HB H 1.691 0.020 1
277 39 39 VAL HG1 H 1.047 0.020 1
278 39 39 VAL HG2 H 1.031 0.020 1
279 39 39 VAL C C 173.815 0.400 1
280 39 39 VAL CA C 59.962 0.400 1
281 39 39 VAL CB C 35.944 0.400 1
282 39 39 VAL CG1 C 22.116 0.400 1
283 39 39 VAL CG2 C 23.024 0.400 1
284 39 39 VAL N N 128.163 0.400 1
285 40 40 VAL H H 8.312 0.020 1
286 40 40 VAL HA H 5.315 0.020 1
287 40 40 VAL HB H 1.953 0.020 1
288 40 40 VAL HG1 H 0.810 0.020 1
289 40 40 VAL HG2 H 0.774 0.020 1
290 40 40 VAL C C 174.403 0.400 1
291 40 40 VAL CA C 59.536 0.400 1
292 40 40 VAL CB C 35.518 0.400 1
293 40 40 VAL CG1 C 21.591 0.400 1
294 40 40 VAL CG2 C 20.741 0.400 1
295 40 40 VAL N N 124.945 0.400 1
296 41 41 GLU H H 9.181 0.020 1
297 41 41 GLU HA H 4.333 0.020 1
298 41 41 GLU HB2 H 1.783 0.020 2
299 41 41 GLU HB3 H 1.291 0.020 2
300 41 41 GLU C C 175.522 0.400 1
301 41 41 GLU CA C 53.658 0.400 1
302 41 41 GLU CB C 29.561 0.400 1
303 41 41 GLU N N 127.190 0.400 1
304 42 42 VAL H H 8.431 0.020 1
305 42 42 VAL HA H 5.036 0.020 1
306 42 42 VAL HB H 1.457 0.020 1
307 42 42 VAL HG1 H 0.683 0.020 1
308 42 42 VAL HG2 H 0.959 0.020 1
309 42 42 VAL C C 178.993 0.400 1
310 42 42 VAL CA C 60.146 0.400 1
311 42 42 VAL CB C 33.677 0.400 1
312 42 42 VAL CG1 C 19.686 0.400 1
313 42 42 VAL CG2 C 22.003 0.400 1
314 42 42 VAL N N 125.800 0.400 1
315 43 43 GLY H H 8.528 0.020 1
316 43 43 GLY HA2 H 4.627 0.020 1
317 43 43 GLY HA3 H 3.942 0.020 1
318 43 43 GLY C C 177.117 0.400 1
319 43 43 GLY CA C 47.411 0.400 1
320 43 43 GLY N N 121.706 0.400 1
321 44 44 ALA H H 8.169 0.020 1
322 44 44 ALA HA H 4.294 0.020 1
323 44 44 ALA HB H 1.210 0.020 1
324 44 44 ALA C C 177.062 0.400 1
325 44 44 ALA CA C 54.255 0.400 1
326 44 44 ALA CB C 19.527 0.400 1
327 44 44 ALA N N 122.749 0.400 1
328 45 45 GLY H H 8.692 0.020 1
329 45 45 GLY HA2 H 3.737 0.020 2
330 45 45 GLY HA3 H 3.912 0.020 2
331 45 45 GLY C C 174.962 0.400 1
332 45 45 GLY CA C 47.926 0.400 1
333 45 45 GLY N N 103.886 0.400 1
334 46 46 ARG H H 9.300 0.020 1
335 46 46 ARG HA H 4.444 0.020 1
336 46 46 ARG HB2 H 2.217 0.020 2
337 46 46 ARG HB3 H 1.703 0.020 2
338 46 46 ARG HD2 H 3.298 0.020 2
339 46 46 ARG HD3 H 3.298 0.020 2
340 46 46 ARG HG2 H 1.640 0.020 2
341 46 46 ARG HG3 H 1.640 0.020 2
342 46 46 ARG C C 175.326 0.400 1
343 46 46 ARG CA C 54.708 0.400 1
344 46 46 ARG CB C 30.849 0.400 1
345 46 46 ARG CD C 43.507 0.400 1
346 46 46 ARG CG C 27.864 0.400 1
347 46 46 ARG N N 125.450 0.400 1
348 47 47 PHE H H 7.947 0.020 1
349 47 47 PHE HA H 5.229 0.020 1
350 47 47 PHE HB2 H 3.006 0.020 2
351 47 47 PHE HB3 H 2.842 0.020 2
352 47 47 PHE HD1 H 7.338 0.020 1
353 47 47 PHE HD2 H 7.338 0.020 1
354 47 47 PHE HE1 H 6.326 0.020 1
355 47 47 PHE HE2 H 6.326 0.020 1
356 47 47 PHE C C 174.179 0.400 1
357 47 47 PHE CA C 55.737 0.400 1
358 47 47 PHE CB C 38.813 0.400 1
359 47 47 PHE CD1 C 131.268 0.400 1
360 47 47 PHE CD2 C 131.268 0.400 1
361 47 47 PHE CE1 C 131.120 0.400 1
362 47 47 PHE CE2 C 131.120 0.400 1
363 47 47 PHE N N 122.286 0.400 1
364 48 48 LEU H H 8.449 0.020 1
365 48 48 LEU HA H 4.322 0.020 1
366 48 48 LEU HB2 H 1.687 0.020 2
367 48 48 LEU HB3 H 1.485 0.020 2
368 48 48 LEU HD1 H 0.828 0.020 1
369 48 48 LEU HD2 H 0.581 0.020 1
370 48 48 LEU HG H 1.357 0.020 1
371 48 48 LEU C C 175.690 0.400 1
372 48 48 LEU CA C 54.057 0.400 1
373 48 48 LEU CB C 40.448 0.400 1
374 48 48 LEU CD1 C 24.941 0.400 1
375 48 48 LEU CD2 C 21.804 0.400 1
376 48 48 LEU CG C 27.185 0.400 1
377 48 48 LEU N N 127.033 0.400 1
378 49 49 TYR H H 6.310 0.020 1
379 49 49 TYR HA H 3.838 0.020 1
380 49 49 TYR HB2 H 1.916 0.020 2
381 49 49 TYR HB3 H 2.907 0.020 2
382 49 49 TYR HD1 H 6.907 0.020 1
383 49 49 TYR HD2 H 6.907 0.020 1
384 49 49 TYR HE1 H 7.002 0.020 1
385 49 49 TYR HE2 H 7.002 0.020 1
386 49 49 TYR C C 177.089 0.400 1
387 49 49 TYR CA C 62.393 0.400 1
388 49 49 TYR CB C 40.116 0.400 1
389 49 49 TYR CD1 C 132.914 0.400 1
390 49 49 TYR CD2 C 132.914 0.400 1
391 49 49 TYR CE1 C 117.975 0.400 1
392 49 49 TYR CE2 C 117.975 0.400 1
393 49 49 TYR N N 118.171 0.400 1
394 50 50 VAL H H 6.837 0.020 1
395 50 50 VAL HA H 3.396 0.020 1
396 50 50 VAL HB H 2.028 0.020 1
397 50 50 VAL HG1 H 0.815 0.020 1
398 50 50 VAL HG2 H 1.254 0.020 1
399 50 50 VAL C C 176.642 0.400 1
400 50 50 VAL CA C 66.923 0.400 1
401 50 50 VAL CB C 31.553 0.400 1
402 50 50 VAL CG1 C 20.216 0.400 1
403 50 50 VAL CG2 C 25.173 0.400 1
404 50 50 VAL N N 116.300 0.400 1
405 51 51 SER H H 8.312 0.020 1
406 51 51 SER HA H 3.999 0.020 1
407 51 51 SER HB2 H 3.779 0.020 2
408 51 51 SER HB3 H 4.157 0.020 2
409 51 51 SER HG H 5.305 0.020 1
410 51 51 SER C C 176.698 0.400 1
411 51 51 SER CA C 61.205 0.400 1
412 51 51 SER CB C 62.917 0.400 1
413 51 51 SER N N 114.657 0.400 1
414 52 52 ASP H H 8.439 0.020 1
415 52 52 ASP HA H 4.298 0.020 1
416 52 52 ASP HB2 H 2.372 0.020 2
417 52 52 ASP HB3 H 2.671 0.020 2
418 52 52 ASP C C 178.405 0.400 1
419 52 52 ASP CA C 57.377 0.400 1
420 52 52 ASP CB C 40.237 0.400 1
421 52 52 ASP N N 122.538 0.400 1
422 53 53 TYR H H 7.984 0.020 1
423 53 53 TYR HA H 3.831 0.020 1
424 53 53 TYR HB2 H 3.158 0.020 2
425 53 53 TYR HB3 H 2.591 0.020 2
426 53 53 TYR HD1 H 6.728 0.020 1
427 53 53 TYR HD2 H 6.728 0.020 1
428 53 53 TYR HE1 H 6.402 0.020 1
429 53 53 TYR HE2 H 6.402 0.020 1
430 53 53 TYR C C 179.636 0.400 1
431 53 53 TYR CA C 62.350 0.400 1
432 53 53 TYR CB C 38.012 0.400 1
433 53 53 TYR CD1 C 133.355 0.400 1
434 53 53 TYR CD2 C 133.355 0.400 1
435 53 53 TYR CE1 C 117.294 0.400 1
436 53 53 TYR CE2 C 117.294 0.400 1
437 53 53 TYR N N 121.692 0.400 1
438 54 54 ILE H H 8.608 0.020 1
439 54 54 ILE HA H 3.554 0.020 1
440 54 54 ILE HB H 1.962 0.020 1
441 54 54 ILE HD1 H 0.766 0.020 1
442 54 54 ILE HG12 H 0.872 0.020 2
443 54 54 ILE HG13 H 2.088 0.020 2
444 54 54 ILE HG2 H 0.780 0.020 1
445 54 54 ILE C C 178.629 0.400 1
446 54 54 ILE CA C 66.632 0.400 1
447 54 54 ILE CB C 37.960 0.400 1
448 54 54 ILE CD1 C 14.832 0.400 1
449 54 54 ILE CG1 C 29.573 0.400 1
450 54 54 ILE CG2 C 17.325 0.400 1
451 54 54 ILE N N 120.337 0.400 1
452 55 55 ARG H H 8.386 0.020 1
453 55 55 ARG HA H 4.298 0.020 1
454 55 55 ARG HB2 H 1.881 0.020 2
455 55 55 ARG HB3 H 1.881 0.020 2
456 55 55 ARG HD2 H 3.270 0.020 2
457 55 55 ARG HD3 H 3.270 0.020 2
458 55 55 ARG HG2 H 1.742 0.020 2
459 55 55 ARG HG3 H 1.904 0.020 2
460 55 55 ARG C C 177.957 0.400 1
461 55 55 ARG CA C 58.873 0.400 1
462 55 55 ARG CB C 30.122 0.400 1
463 55 55 ARG CD C 43.437 0.400 1
464 55 55 ARG CG C 28.095 0.400 1
465 55 55 ARG N N 119.662 0.400 1
466 56 56 LYS H H 7.700 0.020 1
467 56 56 LYS HA H 4.058 0.020 1
468 56 56 LYS HB2 H 1.505 0.020 1
469 56 56 LYS HB3 H 1.293 0.020 1
470 56 56 LYS HD2 H 1.426 0.020 2
471 56 56 LYS HD3 H 1.426 0.020 2
472 56 56 LYS HE2 H 2.802 0.020 2
473 56 56 LYS HE3 H 2.802 0.020 2
474 56 56 LYS HG2 H 1.148 0.020 2
475 56 56 LYS HG3 H 0.905 0.020 2
476 56 56 LYS C C 177.985 0.400 1
477 56 56 LYS CA C 57.588 0.400 1
478 56 56 LYS CB C 33.178 0.400 1
479 56 56 LYS CD C 28.927 0.400 1
480 56 56 LYS CE C 42.022 0.400 1
481 56 56 LYS CG C 25.152 0.400 1
482 56 56 LYS N N 115.472 0.400 1
483 57 57 HIS H H 7.657 0.020 1
484 57 57 HIS HA H 4.724 0.020 1
485 57 57 HIS HB2 H 2.465 0.020 2
486 57 57 HIS HB3 H 3.423 0.020 2
487 57 57 HIS HD2 H 6.214 0.020 1
488 57 57 HIS C C 173.283 0.400 1
489 57 57 HIS CA C 56.183 0.400 1
490 57 57 HIS CB C 29.579 0.400 1
491 57 57 HIS CD2 C 120.764 0.400 1
492 57 57 HIS N N 112.975 0.400 1
493 58 58 SER H H 7.918 0.020 1
494 58 58 SER HA H 4.984 0.020 1
495 58 58 SER HB2 H 4.062 0.020 2
496 58 58 SER HB3 H 3.860 0.020 2
497 58 58 SER C C 172.919 0.400 1
498 58 58 SER CA C 58.276 0.400 1
499 58 58 SER CB C 67.788 0.400 1
500 58 58 SER N N 116.091 0.400 1
501 59 59 LYS H H 8.997 0.020 1
502 59 59 LYS HA H 4.753 0.020 1
503 59 59 LYS HB2 H 2.278 0.020 2
504 59 59 LYS HB3 H 1.508 0.020 2
505 59 59 LYS HD2 H 1.739 0.020 2
506 59 59 LYS HD3 H 1.739 0.020 2
507 59 59 LYS HE2 H 3.038 0.020 2
508 59 59 LYS HE3 H 3.038 0.020 2
509 59 59 LYS HG2 H 1.421 0.020 2
510 59 59 LYS HG3 H 1.523 0.020 2
511 59 59 LYS C C 177.509 0.400 1
512 59 59 LYS CA C 54.286 0.400 1
513 59 59 LYS CB C 31.625 0.400 1
514 59 59 LYS CD C 28.848 0.400 1
515 59 59 LYS CE C 42.246 0.400 1
516 59 59 LYS CG C 24.737 0.400 1
517 59 59 LYS N N 119.165 0.400 1
518 60 60 VAL H H 7.629 0.020 1
519 60 60 VAL HA H 3.985 0.020 1
520 60 60 VAL HB H 1.961 0.020 1
521 60 60 VAL HG1 H 0.858 0.020 2
522 60 60 VAL HG2 H 0.858 0.020 2
523 60 60 VAL C C 175.270 0.400 1
524 60 60 VAL CA C 63.101 0.400 1
525 60 60 VAL CB C 32.934 0.400 1
526 60 60 VAL CG1 C 21.396 0.400 1
527 60 60 VAL CG2 C 21.396 0.400 1
528 60 60 VAL N N 120.517 0.400 1
529 61 61 ASP H H 8.636 0.020 1
530 61 61 ASP HA H 4.781 0.020 1
531 61 61 ASP HB2 H 2.493 0.020 2
532 61 61 ASP HB3 H 2.718 0.020 2
533 61 61 ASP C C 173.395 0.400 1
534 61 61 ASP CA C 53.303 0.400 1
535 61 61 ASP CB C 40.776 0.400 1
536 61 61 ASP N N 126.150 0.400 1
537 62 62 LEU H H 7.804 0.020 1
538 62 62 LEU HA H 5.284 0.020 1
539 62 62 LEU HB2 H 1.106 0.020 2
540 62 62 LEU HB3 H 1.800 0.020 2
541 62 62 LEU HD1 H 0.980 0.020 2
542 62 62 LEU HD2 H 0.980 0.020 2
543 62 62 LEU HG H 1.356 0.020 1
544 62 62 LEU C C 176.054 0.400 1
545 62 62 LEU CA C 53.868 0.400 1
546 62 62 LEU CB C 44.839 0.400 1
547 62 62 LEU CD1 C 24.508 0.400 1
548 62 62 LEU CD2 C 24.508 0.400 1
549 62 62 LEU CG C 27.469 0.400 1
550 62 62 LEU N N 126.849 0.400 1
551 63 63 VAL H H 9.010 0.020 1
552 63 63 VAL HA H 4.184 0.020 1
553 63 63 VAL HB H 1.810 0.020 1
554 63 63 VAL HG1 H 0.785 0.020 1
555 63 63 VAL HG2 H 0.866 0.020 1
556 63 63 VAL C C 172.611 0.400 1
557 63 63 VAL CA C 61.417 0.400 1
558 63 63 VAL CB C 35.293 0.400 1
559 63 63 VAL CG1 C 20.728 0.400 1
560 63 63 VAL CG2 C 20.886 0.400 1
561 63 63 VAL N N 130.108 0.400 1
562 64 64 LEU H H 8.840 0.020 1
563 64 64 LEU HA H 5.374 0.020 1
564 64 64 LEU HB2 H 1.728 0.020 2
565 64 64 LEU HB3 H 1.385 0.020 2
566 64 64 LEU HD1 H 0.851 0.020 1
567 64 64 LEU HD2 H 0.845 0.020 1
568 64 64 LEU HG H 1.743 0.020 1
569 64 64 LEU C C 176.306 0.400 1
570 64 64 LEU CA C 53.462 0.400 1
571 64 64 LEU CB C 45.841 0.400 1
572 64 64 LEU CD1 C 24.523 0.400 1
573 64 64 LEU CD2 C 25.723 0.400 1
574 64 64 LEU CG C 29.179 0.400 1
575 64 64 LEU N N 127.329 0.400 1
576 65 65 THR H H 9.253 0.020 1
577 65 65 THR HA H 6.053 0.020 1
578 65 65 THR HB H 4.315 0.020 1
579 65 65 THR HG2 H 0.987 0.020 1
580 65 65 THR C C 176.334 0.400 1
581 65 65 THR CA C 59.320 0.400 1
582 65 65 THR CB C 72.401 0.400 1
583 65 65 THR CG2 C 21.374 0.400 1
584 65 65 THR N N 110.432 0.400 1
585 66 66 ASP H H 8.803 0.020 1
586 66 66 ASP HA H 4.699 0.020 1
587 66 66 ASP HB2 H 3.171 0.020 2
588 66 66 ASP HB3 H 1.936 0.020 2
589 66 66 ASP C C 174.179 0.400 1
590 66 66 ASP CA C 55.270 0.400 1
591 66 66 ASP CB C 45.499 0.400 1
592 66 66 ASP N N 116.088 0.400 1
593 67 67 ILE H H 6.651 0.020 1
594 67 67 ILE HA H 3.797 0.020 1
595 67 67 ILE HB H 0.493 0.020 1
596 67 67 ILE HD1 H 0.564 0.020 1
597 67 67 ILE HG12 H 1.059 0.020 2
598 67 67 ILE HG13 H 0.569 0.020 2
599 67 67 ILE HG2 H 0.017 0.020 1
600 67 67 ILE C C 174.627 0.400 1
601 67 67 ILE CA C 63.570 0.400 1
602 67 67 ILE CB C 38.306 0.400 1
603 67 67 ILE CD1 C 14.108 0.400 1
604 67 67 ILE CG1 C 28.966 0.400 1
605 67 67 ILE CG2 C 15.665 0.400 1
606 67 67 ILE N N 125.112 0.400 1
607 68 68 LYS H H 9.410 0.020 1
608 68 68 LYS HA H 4.554 0.020 1
609 68 68 LYS HB2 H 1.696 0.020 2
610 68 68 LYS HB3 H 1.368 0.020 2
611 68 68 LYS HD2 H 1.618 0.020 2
612 68 68 LYS HD3 H 1.618 0.020 2
613 68 68 LYS HE2 H 2.926 0.020 2
614 68 68 LYS HE3 H 2.926 0.020 2
615 68 68 LYS HG2 H 1.181 0.020 2
616 68 68 LYS HG3 H 1.241 0.020 2
617 68 68 LYS CA C 53.022 0.400 1
618 68 68 LYS CB C 33.382 0.400 1
619 68 68 LYS CD C 29.270 0.400 1
620 68 68 LYS CE C 42.136 0.400 1
621 68 68 LYS CG C 24.743 0.400 1
622 68 68 LYS N N 123.326 0.400 1
623 69 69 PRO HA H 4.117 0.020 1
624 69 69 PRO HB2 H 2.261 0.020 1
625 69 69 PRO HB3 H 1.856 0.020 1
626 69 69 PRO HD2 H 3.512 0.020 1
627 69 69 PRO HD3 H 3.357 0.020 1
628 69 69 PRO HG2 H 2.071 0.020 2
629 69 69 PRO HG3 H 1.655 0.020 2
630 69 69 PRO C C 178.685 0.400 1
631 69 69 PRO CA C 63.152 0.400 1
632 69 69 PRO CB C 33.039 0.400 1
633 69 69 PRO CD C 49.754 0.400 1
634 69 69 PRO CG C 27.957 0.400 1
635 70 70 SER H H 9.245 0.020 1
636 70 70 SER HA H 4.297 0.020 1
637 70 70 SER HB2 H 3.860 0.020 2
638 70 70 SER HB3 H 3.860 0.020 2
639 70 70 SER C C 173.563 0.400 1
640 70 70 SER CA C 59.124 0.400 1
641 70 70 SER CB C 63.681 0.400 1
642 70 70 SER N N 120.375 0.400 1
643 71 71 HIS H H 7.344 0.020 1
644 71 71 HIS HB2 H 3.204 0.020 2
645 71 71 HIS HB3 H 3.204 0.020 2
646 71 71 HIS HD2 H 6.981 0.020 1
647 71 71 HIS C C 175.326 0.400 1
648 71 71 HIS CA C 55.551 0.400 1
649 71 71 HIS CB C 32.432 0.400 1
650 71 71 HIS CD2 C 119.439 0.400 1
651 71 71 HIS N N 115.995 0.400 1
652 72 72 GLY H H 8.770 0.020 1
653 72 72 GLY HA2 H 4.096 0.020 2
654 72 72 GLY HA3 H 3.912 0.020 2
655 72 72 GLY C C 174.878 0.400 1
656 72 72 GLY CA C 46.559 0.400 1
657 72 72 GLY N N 106.679 0.400 1
658 73 73 GLY H H 9.684 0.020 1
659 73 73 GLY HA2 H 3.872 0.020 2
660 73 73 GLY HA3 H 4.240 0.020 2
661 73 73 GLY C C 173.339 0.400 1
662 73 73 GLY CA C 44.952 0.400 1
663 73 73 GLY N N 111.130 0.400 1
664 74 74 ILE H H 7.334 0.020 1
665 74 74 ILE HA H 3.974 0.020 1
666 74 74 ILE HB H 1.699 0.020 1
667 74 74 ILE HD1 H 0.681 0.020 1
668 74 74 ILE HG12 H 0.967 0.020 2
669 74 74 ILE HG13 H 1.490 0.020 2
670 74 74 ILE HG2 H 0.739 0.020 1
671 74 74 ILE C C 173.955 0.400 1
672 74 74 ILE CA C 60.822 0.400 1
673 74 74 ILE CB C 38.982 0.400 1
674 74 74 ILE CD1 C 14.234 0.400 1
675 74 74 ILE CG1 C 27.981 0.400 1
676 74 74 ILE CG2 C 16.827 0.400 1
677 74 74 ILE N N 123.086 0.400 1
678 75 75 VAL H H 9.100 0.020 1
679 75 75 VAL HA H 3.751 0.020 1
680 75 75 VAL HB H 1.972 0.020 1
681 75 75 VAL HG1 H 0.826 0.020 1
682 75 75 VAL HG2 H 0.988 0.020 1
683 75 75 VAL C C 175.466 0.400 1
684 75 75 VAL CA C 62.805 0.400 1
685 75 75 VAL CB C 33.011 0.400 1
686 75 75 VAL CG1 C 21.184 0.400 1
687 75 75 VAL CG2 C 21.765 0.400 1
688 75 75 VAL N N 129.205 0.400 1
689 76 76 ARG H H 8.562 0.020 1
690 76 76 ARG HA H 5.002 0.020 1
691 76 76 ARG HB2 H 1.625 0.020 2
692 76 76 ARG HB3 H 1.973 0.020 2
693 76 76 ARG HD2 H 3.233 0.020 2
694 76 76 ARG HD3 H 3.233 0.020 2
695 76 76 ARG HG2 H 1.559 0.020 2
696 76 76 ARG HG3 H 1.436 0.020 2
697 76 76 ARG C C 175.858 0.400 1
698 76 76 ARG CA C 55.151 0.400 1
699 76 76 ARG CB C 29.881 0.400 1
700 76 76 ARG CD C 43.466 0.400 1
701 76 76 ARG CG C 27.372 0.400 1
702 76 76 ARG N N 127.541 0.400 1
703 77 77 ASP H H 7.747 0.020 1
704 77 77 ASP HA H 4.624 0.020 1
705 77 77 ASP HB2 H 2.215 0.020 2
706 77 77 ASP HB3 H 2.696 0.020 2
707 77 77 ASP C C 173.311 0.400 1
708 77 77 ASP CA C 56.464 0.400 1
709 77 77 ASP CB C 45.645 0.400 1
710 77 77 ASP N N 127.051 0.400 1
711 78 78 ASP H H 8.583 0.020 1
712 78 78 ASP HA H 4.948 0.020 1
713 78 78 ASP HB2 H 2.416 0.020 2
714 78 78 ASP HB3 H 2.979 0.020 2
715 78 78 ASP C C 177.145 0.400 1
716 78 78 ASP CA C 51.266 0.400 1
717 78 78 ASP CB C 41.582 0.400 1
718 78 78 ASP N N 127.081 0.400 1
719 79 79 ILE H H 9.916 0.020 1
720 79 79 ILE HA H 4.084 0.020 1
721 79 79 ILE HB H 1.999 0.020 1
722 79 79 ILE HD1 H 0.676 0.020 1
723 79 79 ILE HG12 H 1.427 0.020 2
724 79 79 ILE HG13 H 0.964 0.020 2
725 79 79 ILE HG2 H 0.816 0.020 1
726 79 79 ILE C C 174.571 0.400 1
727 79 79 ILE CA C 59.538 0.400 1
728 79 79 ILE CB C 38.745 0.400 1
729 79 79 ILE CD1 C 15.038 0.400 1
730 79 79 ILE CG1 C 29.126 0.400 1
731 79 79 ILE CG2 C 20.935 0.400 1
732 79 79 ILE N N 128.857 0.400 1
733 80 80 THR H H 8.748 0.020 1
734 80 80 THR HA H 4.376 0.020 1
735 80 80 THR HB H 4.310 0.020 1
736 80 80 THR HG2 H 1.346 0.020 1
737 80 80 THR C C 176.082 0.400 1
738 80 80 THR CA C 62.935 0.400 1
739 80 80 THR CB C 69.409 0.400 1
740 80 80 THR CG2 C 21.789 0.400 1
741 80 80 THR N N 111.200 0.400 1
742 81 81 SER H H 7.594 0.020 1
743 81 81 SER HA H 4.615 0.020 1
744 81 81 SER HB2 H 3.803 0.020 2
745 81 81 SER HB3 H 3.597 0.020 2
746 81 81 SER CA C 55.621 0.400 1
747 81 81 SER CB C 62.869 0.400 1
748 81 81 SER N N 117.266 0.400 1
749 82 82 PRO HA H 4.835 0.020 1
750 82 82 PRO HB2 H 1.819 0.020 2
751 82 82 PRO HB3 H 2.041 0.020 2
752 82 82 PRO HD2 H 3.502 0.020 2
753 82 82 PRO HD3 H 3.389 0.020 2
754 82 82 PRO HG2 H 1.754 0.020 2
755 82 82 PRO HG3 H 1.913 0.020 2
756 82 82 PRO C C 177.801 0.400 1
757 82 82 PRO CA C 63.423 0.400 1
758 82 82 PRO CB C 34.197 0.400 1
759 82 82 PRO CD C 49.420 0.400 1
760 82 82 PRO CG C 27.058 0.400 1
761 83 83 ARG H H 9.537 0.020 1
762 83 83 ARG HA H 4.586 0.020 1
763 83 83 ARG HB2 H 1.848 0.020 2
764 83 83 ARG HB3 H 2.078 0.020 2
765 83 83 ARG HD2 H 3.418 0.020 2
766 83 83 ARG HD3 H 3.310 0.020 2
767 83 83 ARG HE H 7.554 0.020 1
768 83 83 ARG HG2 H 1.853 0.020 2
769 83 83 ARG HG3 H 1.641 0.020 2
770 83 83 ARG C C 176.586 0.400 1
771 83 83 ARG CA C 55.832 0.400 1
772 83 83 ARG CB C 29.058 0.400 1
773 83 83 ARG CD C 44.036 0.400 1
774 83 83 ARG CG C 27.923 0.400 1
775 83 83 ARG N N 124.284 0.400 1
776 83 83 ARG NE N 84.669 0.400 1
777 84 84 MET H H 8.480 0.020 1
778 84 84 MET HA H 4.601 0.020 1
779 84 84 MET HB2 H 2.171 0.020 2
780 84 84 MET HB3 H 2.047 0.020 2
781 84 84 MET HE H 1.992 0.020 1
782 84 84 MET HG2 H 2.894 0.020 2
783 84 84 MET HG3 H 2.613 0.020 2
784 84 84 MET C C 178.069 0.400 1
785 84 84 MET CA C 57.026 0.400 1
786 84 84 MET CB C 29.595 0.400 1
787 84 84 MET CE C 15.470 0.400 1
788 84 84 MET CG C 32.161 0.400 1
789 84 84 MET N N 124.328 0.400 1
790 85 85 GLU H H 9.432 0.020 1
791 85 85 GLU HA H 4.046 0.020 1
792 85 85 GLU HB2 H 2.033 0.020 2
793 85 85 GLU HB3 H 2.033 0.020 2
794 85 85 GLU HG2 H 2.291 0.020 2
795 85 85 GLU HG3 H 2.291 0.020 2
796 85 85 GLU C C 177.845 0.400 1
797 85 85 GLU CA C 59.232 0.400 1
798 85 85 GLU CB C 28.707 0.400 1
799 85 85 GLU CG C 35.906 0.400 1
800 85 85 GLU N N 118.642 0.400 1
801 86 86 ILE H H 7.800 0.020 1
802 86 86 ILE HA H 3.419 0.020 1
803 86 86 ILE HB H 1.173 0.020 1
804 86 86 ILE HD1 H 0.812 0.020 1
805 86 86 ILE HG12 H 0.889 0.020 1
806 86 86 ILE HG13 H 1.344 0.020 1
807 86 86 ILE HG2 H 0.053 0.020 1
808 86 86 ILE C C 175.774 0.400 1
809 86 86 ILE CA C 64.120 0.400 1
810 86 86 ILE CB C 37.842 0.400 1
811 86 86 ILE CD1 C 14.192 0.400 1
812 86 86 ILE CG1 C 28.418 0.400 1
813 86 86 ILE CG2 C 16.294 0.400 1
814 86 86 ILE N N 118.674 0.400 1
815 87 87 TYR H H 6.748 0.020 1
816 87 87 TYR HA H 3.972 0.020 1
817 87 87 TYR HB2 H 2.540 0.020 1
818 87 87 TYR HB3 H 2.982 0.020 1
819 87 87 TYR HD1 H 6.791 0.020 1
820 87 87 TYR HD2 H 6.791 0.020 1
821 87 87 TYR HE1 H 6.655 0.020 1
822 87 87 TYR HE2 H 6.655 0.020 1
823 87 87 TYR HH H 11.231 0.020 1
824 87 87 TYR C C 175.186 0.400 1
825 87 87 TYR CA C 58.268 0.400 1
826 87 87 TYR CB C 40.321 0.400 1
827 87 87 TYR CD1 C 132.307 0.400 1
828 87 87 TYR CD2 C 132.307 0.400 1
829 87 87 TYR CE1 C 118.617 0.400 1
830 87 87 TYR CE2 C 118.617 0.400 1
831 87 87 TYR N N 115.249 0.400 1
832 88 88 ARG H H 7.654 0.020 1
833 88 88 ARG HA H 3.874 0.020 1
834 88 88 ARG HB2 H 1.787 0.020 2
835 88 88 ARG HB3 H 1.787 0.020 2
836 88 88 ARG HD2 H 3.225 0.020 2
837 88 88 ARG HD3 H 3.225 0.020 2
838 88 88 ARG HG2 H 1.637 0.020 1
839 88 88 ARG HG3 H 1.779 0.020 1
840 88 88 ARG C C 177.173 0.400 1
841 88 88 ARG CA C 58.596 0.400 1
842 88 88 ARG CB C 29.797 0.400 1
843 88 88 ARG CD C 43.391 0.400 1
844 88 88 ARG CG C 27.486 0.400 1
845 88 88 ARG N N 118.190 0.400 1
846 89 89 GLY H H 8.999 0.020 1
847 89 89 GLY HA2 H 3.783 0.020 2
848 89 89 GLY HA3 H 4.177 0.020 2
849 89 89 GLY C C 174.403 0.400 1
850 89 89 GLY CA C 45.163 0.400 1
851 89 89 GLY N N 113.242 0.400 1
852 90 90 ALA H H 8.130 0.020 1
853 90 90 ALA HA H 4.240 0.020 1
854 90 90 ALA HB H 1.336 0.020 1
855 90 90 ALA C C 176.894 0.400 1
856 90 90 ALA CA C 52.367 0.400 1
857 90 90 ALA CB C 18.295 0.400 1
858 90 90 ALA N N 122.413 0.400 1
859 91 91 ALA H H 9.160 0.020 1
860 91 91 ALA HA H 4.552 0.020 1
861 91 91 ALA HB H 1.525 0.020 1
862 91 91 ALA C C 179.189 0.400 1
863 91 91 ALA CA C 52.747 0.400 1
864 91 91 ALA CB C 19.515 0.400 1
865 91 91 ALA N N 124.109 0.400 1
866 92 92 LEU H H 7.423 0.020 1
867 92 92 LEU HA H 5.483 0.020 1
868 92 92 LEU HB2 H 1.636 0.020 1
869 92 92 LEU HB3 H 1.702 0.020 1
870 92 92 LEU HD1 H 0.912 0.020 1
871 92 92 LEU HD2 H 0.954 0.020 1
872 92 92 LEU HG H 1.784 0.020 1
873 92 92 LEU C C 173.703 0.400 1
874 92 92 LEU CA C 54.692 0.400 1
875 92 92 LEU CB C 46.148 0.400 1
876 92 92 LEU CD1 C 27.966 0.400 1
877 92 92 LEU CD2 C 27.267 0.400 1
878 92 92 LEU CG C 28.028 0.400 1
879 92 92 LEU N N 119.088 0.400 1
880 93 93 ILE H H 9.504 0.020 1
881 93 93 ILE HA H 5.400 0.020 1
882 93 93 ILE HB H 1.534 0.020 1
883 93 93 ILE HD1 H 0.766 0.020 1
884 93 93 ILE HG12 H 1.559 0.020 1
885 93 93 ILE HG13 H 0.990 0.020 1
886 93 93 ILE HG2 H 0.774 0.020 1
887 93 93 ILE C C 174.039 0.400 1
888 93 93 ILE CA C 59.117 0.400 1
889 93 93 ILE CB C 41.816 0.400 1
890 93 93 ILE CD1 C 14.591 0.400 1
891 93 93 ILE CG1 C 27.744 0.400 1
892 93 93 ILE CG2 C 17.132 0.400 1
893 93 93 ILE N N 127.551 0.400 1
894 94 94 TYR H H 9.526 0.020 1
895 94 94 TYR HA H 6.469 0.020 1
896 94 94 TYR HB2 H 2.766 0.020 1
897 94 94 TYR HB3 H 2.697 0.020 1
898 94 94 TYR HD1 H 6.604 0.020 1
899 94 94 TYR HD2 H 6.604 0.020 1
900 94 94 TYR HE1 H 6.494 0.020 1
901 94 94 TYR HE2 H 6.494 0.020 1
902 94 94 TYR HH H 8.428 0.020 1
903 94 94 TYR C C 173.171 0.400 1
904 94 94 TYR CA C 54.427 0.400 1
905 94 94 TYR CB C 42.820 0.400 1
906 94 94 TYR CD1 C 131.946 0.400 1
907 94 94 TYR CD2 C 131.946 0.400 1
908 94 94 TYR CE1 C 121.494 0.400 1
909 94 94 TYR CE2 C 121.494 0.400 1
910 94 94 TYR N N 123.241 0.400 1
911 95 95 SER H H 8.339 0.020 1
912 95 95 SER HA H 4.786 0.020 1
913 95 95 SER HB2 H 3.255 0.020 2
914 95 95 SER HB3 H 3.568 0.020 2
915 95 95 SER C C 173.212 0.400 1
916 95 95 SER CA C 58.220 0.400 1
917 95 95 SER CB C 67.141 0.400 1
918 95 95 SER N N 112.079 0.400 1
919 96 96 ILE H H 10.723 0.020 1
920 96 96 ILE HA H 4.533 0.020 1
921 96 96 ILE HB H 2.132 0.020 1
922 96 96 ILE HD1 H 1.220 0.020 1
923 96 96 ILE HG12 H 1.175 0.020 2
924 96 96 ILE HG13 H 1.958 0.020 2
925 96 96 ILE HG2 H 1.282 0.020 1
926 96 96 ILE C C 175.035 0.400 1
927 96 96 ILE CA C 61.489 0.400 1
928 96 96 ILE CB C 38.593 0.400 1
929 96 96 ILE CD1 C 14.286 0.400 1
930 96 96 ILE CG1 C 28.523 0.400 1
931 96 96 ILE CG2 C 19.659 0.400 1
932 96 96 ILE N N 132.070 0.400 1
933 97 97 ARG H H 10.175 0.020 1
934 97 97 ARG HA H 3.867 0.020 1
935 97 97 ARG CA C 58.063 0.400 1
936 97 97 ARG N N 126.178 0.400 1
937 98 98 PRO HA H 4.985 0.020 1
938 98 98 PRO HD2 H 3.628 0.020 2
939 98 98 PRO HD3 H 3.380 0.020 2
940 98 98 PRO HG2 H 1.602 0.020 2
941 98 98 PRO HG3 H 1.602 0.020 2
942 98 98 PRO CA C 62.064 0.400 1
943 98 98 PRO CD C 50.667 0.400 1
944 98 98 PRO CG C 28.326 0.400 1
945 99 99 PRO HA H 4.546 0.020 1
946 99 99 PRO HB2 H 2.161 0.020 1
947 99 99 PRO HB3 H 2.419 0.020 1
948 99 99 PRO HD2 H 3.195 0.020 2
949 99 99 PRO HD3 H 3.570 0.020 2
950 99 99 PRO HG2 H 1.923 0.020 2
951 99 99 PRO HG3 H 2.205 0.020 2
952 99 99 PRO C C 176.978 0.400 1
953 99 99 PRO CA C 62.087 0.400 1
954 99 99 PRO CB C 31.689 0.400 1
955 99 99 PRO CD C 49.633 0.400 1
956 99 99 PRO CG C 27.677 0.400 1
957 100 100 ALA H H 8.647 0.020 1
958 100 100 ALA HA H 1.985 0.020 1
959 100 100 ALA HB H 1.222 0.020 1
960 100 100 ALA C C 179.412 0.400 1
961 100 100 ALA CA C 53.923 0.400 1
962 100 100 ALA CB C 18.291 0.400 1
963 100 100 ALA N N 125.192 0.400 1
964 101 101 GLU H H 9.027 0.020 1
965 101 101 GLU HA H 4.100 0.020 1
966 101 101 GLU HB2 H 2.042 0.020 2
967 101 101 GLU HB3 H 2.042 0.020 2
968 101 101 GLU HG2 H 2.298 0.020 2
969 101 101 GLU HG3 H 2.298 0.020 2
970 101 101 GLU C C 178.013 0.400 1
971 101 101 GLU CA C 59.097 0.400 1
972 101 101 GLU CB C 28.956 0.400 1
973 101 101 GLU CG C 36.433 0.400 1
974 101 101 GLU N N 114.192 0.400 1
975 102 102 ILE H H 7.721 0.020 1
976 102 102 ILE HA H 4.733 0.020 1
977 102 102 ILE HB H 2.041 0.020 1
978 102 102 ILE HD1 H -0.040 0.020 1
979 102 102 ILE HG12 H 1.272 0.020 2
980 102 102 ILE HG13 H 0.943 0.020 2
981 102 102 ILE HG2 H 0.686 0.020 1
982 102 102 ILE C C 176.530 0.400 1
983 102 102 ILE CA C 61.030 0.400 1
984 102 102 ILE CB C 38.045 0.400 1
985 102 102 ILE CD1 C 12.072 0.400 1
986 102 102 ILE CG1 C 25.470 0.400 1
987 102 102 ILE CG2 C 17.125 0.400 1
988 102 102 ILE N N 109.246 0.400 1
989 103 103 HIS H H 7.820 0.020 1
990 103 103 HIS HA H 4.167 0.020 1
991 103 103 HIS HB2 H 2.777 0.020 2
992 103 103 HIS HB3 H 3.349 0.020 2
993 103 103 HIS HE1 H 7.891 0.020 1
994 103 103 HIS C C 177.621 0.400 1
995 103 103 HIS CA C 59.330 0.400 1
996 103 103 HIS CB C 31.222 0.400 1
997 103 103 HIS CE1 C 138.975 0.400 1
998 103 103 HIS N N 124.026 0.400 1
999 104 104 SER H H 9.157 0.020 1
1000 104 104 SER HA H 4.175 0.020 1
1001 104 104 SER HB2 H 3.967 0.020 2
1002 104 104 SER HB3 H 4.024 0.020 2
1003 104 104 SER C C 177.509 0.400 1
1004 104 104 SER CA C 61.504 0.400 1
1005 104 104 SER CB C 62.074 0.400 1
1006 104 104 SER N N 112.786 0.400 1
1007 105 105 SER H H 7.619 0.020 1
1008 105 105 SER HA H 4.204 0.020 1
1009 105 105 SER HB2 H 3.787 0.020 2
1010 105 105 SER HB3 H 3.787 0.020 2
1011 105 105 SER C C 175.522 0.400 1
1012 105 105 SER CA C 62.745 0.400 1
1013 105 105 SER CB C 62.783 0.400 1
1014 105 105 SER N N 120.398 0.400 1
1015 106 106 LEU H H 7.906 0.020 1
1016 106 106 LEU HA H 3.672 0.020 1
1017 106 106 LEU HB2 H 1.330 0.020 1
1018 106 106 LEU HB3 H 2.228 0.020 1
1019 106 106 LEU HD1 H 0.780 0.020 1
1020 106 106 LEU HD2 H 0.674 0.020 1
1021 106 106 LEU HG H 1.513 0.020 1
1022 106 106 LEU C C 177.509 0.400 1
1023 106 106 LEU CA C 58.401 0.400 1
1024 106 106 LEU CB C 41.593 0.400 1
1025 106 106 LEU CD1 C 25.692 0.400 1
1026 106 106 LEU CD2 C 23.696 0.400 1
1027 106 106 LEU CG C 27.420 0.400 1
1028 106 106 LEU N N 122.510 0.400 1
1029 107 107 MET H H 7.411 0.020 1
1030 107 107 MET HA H 3.767 0.020 1
1031 107 107 MET HB2 H 1.953 0.020 2
1032 107 107 MET HB3 H 1.727 0.020 2
1033 107 107 MET HE H 1.313 0.020 1
1034 107 107 MET C C 176.502 0.400 1
1035 107 107 MET CA C 59.431 0.400 1
1036 107 107 MET CB C 32.205 0.400 1
1037 107 107 MET CE C 16.299 0.400 1
1038 107 107 MET N N 117.092 0.400 1
1039 108 108 ARG H H 8.123 0.020 1
1040 108 108 ARG HA H 4.148 0.020 1
1041 108 108 ARG HB2 H 1.953 0.020 2
1042 108 108 ARG HB3 H 1.953 0.020 2
1043 108 108 ARG HD2 H 3.232 0.020 2
1044 108 108 ARG HD3 H 3.232 0.020 2
1045 108 108 ARG HG2 H 1.647 0.020 2
1046 108 108 ARG HG3 H 1.819 0.020 2
1047 108 108 ARG C C 180.168 0.400 1
1048 108 108 ARG CA C 59.586 0.400 1
1049 108 108 ARG CB C 30.322 0.400 1
1050 108 108 ARG CD C 43.437 0.400 1
1051 108 108 ARG CG C 27.744 0.400 1
1052 108 108 ARG N N 118.859 0.400 1
1053 109 109 VAL H H 8.015 0.020 1
1054 109 109 VAL HA H 3.556 0.020 1
1055 109 109 VAL HB H 1.757 0.020 1
1056 109 109 VAL HG1 H 0.359 0.020 1
1057 109 109 VAL HG2 H 0.787 0.020 1
1058 109 109 VAL C C 177.006 0.400 1
1059 109 109 VAL CA C 66.995 0.400 1
1060 109 109 VAL CB C 31.165 0.400 1
1061 109 109 VAL CG1 C 20.918 0.400 1
1062 109 109 VAL CG2 C 23.596 0.400 1
1063 109 109 VAL N N 120.324 0.400 1
1064 110 110 ALA H H 8.069 0.020 1
1065 110 110 ALA HA H 3.958 0.020 1
1066 110 110 ALA HB H 1.647 0.020 1
1067 110 110 ALA C C 180.140 0.400 1
1068 110 110 ALA CA C 56.534 0.400 1
1069 110 110 ALA CB C 17.776 0.400 1
1070 110 110 ALA N N 121.550 0.400 1
1071 111 111 ASP H H 8.713 0.020 1
1072 111 111 ASP HA H 4.645 0.020 1
1073 111 111 ASP HB2 H 2.692 0.020 1
1074 111 111 ASP HB3 H 2.884 0.020 1
1075 111 111 ASP C C 178.489 0.400 1
1076 111 111 ASP CA C 57.307 0.400 1
1077 111 111 ASP CB C 40.990 0.400 1
1078 111 111 ASP N N 116.766 0.400 1
1079 112 112 ALA H H 7.970 0.020 1
1080 112 112 ALA HA H 4.228 0.020 1
1081 112 112 ALA HB H 1.608 0.020 1
1082 112 112 ALA C C 180.280 0.400 1
1083 112 112 ALA CA C 54.800 0.400 1
1084 112 112 ALA CB C 18.813 0.400 1
1085 112 112 ALA N N 121.301 0.400 1
1086 113 113 VAL H H 7.858 0.020 1
1087 113 113 VAL HA H 4.687 0.020 1
1088 113 113 VAL HB H 2.660 0.020 1
1089 113 113 VAL HG1 H 0.915 0.020 1
1090 113 113 VAL HG2 H 1.099 0.020 1
1091 113 113 VAL C C 176.894 0.400 1
1092 113 113 VAL CA C 60.362 0.400 1
1093 113 113 VAL CB C 33.039 0.400 1
1094 113 113 VAL CG1 C 21.247 0.400 1
1095 113 113 VAL CG2 C 18.636 0.400 1
1096 113 113 VAL N N 106.423 0.400 1
1097 114 114 GLY H H 8.205 0.020 1
1098 114 114 GLY HA2 H 3.789 0.020 1
1099 114 114 GLY HA3 H 4.157 0.020 1
1100 114 114 GLY C C 174.123 0.400 1
1101 114 114 GLY CA C 46.677 0.400 1
1102 114 114 GLY N N 113.366 0.400 1
1103 115 115 ALA H H 7.919 0.020 1
1104 115 115 ALA HA H 4.463 0.020 1
1105 115 115 ALA HB H 1.219 0.020 1
1106 115 115 ALA C C 176.362 0.400 1
1107 115 115 ALA CA C 51.344 0.400 1
1108 115 115 ALA CB C 21.572 0.400 1
1109 115 115 ALA N N 122.765 0.400 1
1110 116 116 ARG H H 7.448 0.020 1
1111 116 116 ARG HA H 4.690 0.020 1
1112 116 116 ARG HB2 H 2.133 0.020 1
1113 116 116 ARG HB3 H 1.844 0.020 1
1114 116 116 ARG HD2 H 3.804 0.020 2
1115 116 116 ARG HD3 H 3.037 0.020 2
1116 116 116 ARG HE H 7.729 0.020 1
1117 116 116 ARG HG2 H 1.749 0.020 1
1118 116 116 ARG HG3 H 1.495 0.020 1
1119 116 116 ARG C C 173.955 0.400 1
1120 116 116 ARG CA C 55.972 0.400 1
1121 116 116 ARG CB C 32.240 0.400 1
1122 116 116 ARG CD C 43.473 0.400 1
1123 116 116 ARG CG C 28.340 0.400 1
1124 116 116 ARG N N 119.093 0.400 1
1125 116 116 ARG NE N 81.838 0.400 1
1126 117 117 LEU H H 9.575 0.020 1
1127 117 117 LEU HA H 5.928 0.020 1
1128 117 117 LEU HB2 H 1.293 0.020 1
1129 117 117 LEU HB3 H 2.153 0.020 1
1130 117 117 LEU HD1 H 0.843 0.020 1
1131 117 117 LEU HD2 H 0.770 0.020 1
1132 117 117 LEU HG H 1.400 0.020 1
1133 117 117 LEU C C 175.130 0.400 1
1134 117 117 LEU CA C 52.672 0.400 1
1135 117 117 LEU CB C 45.828 0.400 1
1136 117 117 LEU CD1 C 23.256 0.400 1
1137 117 117 LEU CD2 C 26.003 0.400 1
1138 117 117 LEU CG C 28.361 0.400 1
1139 117 117 LEU N N 128.597 0.400 1
1140 118 118 ILE H H 8.902 0.020 1
1141 118 118 ILE HA H 5.437 0.020 1
1142 118 118 ILE HB H 1.651 0.020 1
1143 118 118 ILE HD1 H 0.838 0.020 1
1144 118 118 ILE HG12 H 1.304 0.020 1
1145 118 118 ILE HG13 H 1.610 0.020 1
1146 118 118 ILE HG2 H 0.613 0.020 1
1147 118 118 ILE C C 175.578 0.400 1
1148 118 118 ILE CA C 59.084 0.400 1
1149 118 118 ILE CB C 42.001 0.400 1
1150 118 118 ILE CD1 C 14.552 0.400 1
1151 118 118 ILE CG1 C 27.918 0.400 1
1152 118 118 ILE CG2 C 16.185 0.400 1
1153 118 118 ILE N N 126.134 0.400 1
1154 119 119 ILE H H 9.098 0.020 1
1155 119 119 ILE HA H 5.008 0.020 1
1156 119 119 ILE HB H 1.437 0.020 1
1157 119 119 ILE HD1 H 0.554 0.020 1
1158 119 119 ILE HG12 H 1.519 0.020 2
1159 119 119 ILE HG13 H 0.794 0.020 2
1160 119 119 ILE HG2 H 0.467 0.020 1
1161 119 119 ILE C C 175.270 0.400 1
1162 119 119 ILE CA C 60.046 0.400 1
1163 119 119 ILE CB C 42.665 0.400 1
1164 119 119 ILE CD1 C 13.371 0.400 1
1165 119 119 ILE CG1 C 27.894 0.400 1
1166 119 119 ILE CG2 C 16.737 0.400 1
1167 119 119 ILE N N 123.819 0.400 1
1168 120 120 LYS H H 8.629 0.020 1
1169 120 120 LYS HA H 5.459 0.020 1
1170 120 120 LYS HB2 H 1.682 0.020 2
1171 120 120 LYS HB3 H 2.518 0.020 2
1172 120 120 LYS CA C 51.108 0.400 1
1173 120 120 LYS CB C 34.305 0.400 1
1174 120 120 LYS N N 129.761 0.400 1
1175 121 121 PRO HA H 4.876 0.020 1
1176 121 121 PRO HB2 H 2.568 0.020 2
1177 121 121 PRO HB3 H 2.080 0.020 2
1178 121 121 PRO HD2 H 4.230 0.020 1
1179 121 121 PRO HD3 H 4.130 0.020 1
1180 121 121 PRO HG2 H 2.080 0.020 2
1181 121 121 PRO HG3 H 2.292 0.020 2
1182 121 121 PRO C C 176.792 0.400 1
1183 121 121 PRO CA C 62.887 0.400 1
1184 121 121 PRO CB C 32.987 0.400 1
1185 121 121 PRO CD C 51.351 0.400 1
1186 121 121 PRO CG C 26.857 0.400 1
1187 122 122 LEU H H 8.954 0.020 1
1188 122 122 LEU HA H 4.268 0.020 1
1189 122 122 LEU HB2 H 1.574 0.020 1
1190 122 122 LEU HB3 H 1.671 0.020 1
1191 122 122 LEU HD1 H 0.997 0.020 2
1192 122 122 LEU HD2 H 0.997 0.020 2
1193 122 122 LEU C C 177.201 0.400 1
1194 122 122 LEU CA C 56.537 0.400 1
1195 122 122 LEU CB C 42.501 0.400 1
1196 122 122 LEU CD1 C 24.593 0.400 1
1197 122 122 LEU CD2 C 24.593 0.400 1
1198 122 122 LEU N N 121.797 0.400 1
1199 123 123 THR H H 8.376 0.020 1
1200 123 123 THR HA H 4.138 0.020 1
1201 123 123 THR HB H 4.160 0.020 1
1202 123 123 THR HG2 H 1.313 0.020 1
1203 123 123 THR C C 175.588 0.400 1
1204 123 123 THR CA C 64.422 0.400 1
1205 123 123 THR CB C 69.245 0.400 1
1206 123 123 THR CG2 C 21.717 0.400 1
1207 123 123 THR N N 118.168 0.400 1
1208 124 124 GLY H H 8.833 0.020 1
1209 124 124 GLY HA2 H 4.147 0.020 2
1210 124 124 GLY HA3 H 3.803 0.020 2
1211 124 124 GLY C C 173.993 0.400 1
1212 124 124 GLY CA C 45.556 0.400 1
1213 124 124 GLY N N 114.432 0.400 1
1214 125 125 GLU H H 7.979 0.020 1
1215 125 125 GLU HA H 4.484 0.020 1
1216 125 125 GLU HB2 H 2.232 0.020 2
1217 125 125 GLU HB3 H 1.969 0.020 2
1218 125 125 GLU HG2 H 2.246 0.020 2
1219 125 125 GLU HG3 H 2.246 0.020 2
1220 125 125 GLU C C 175.550 0.400 1
1221 125 125 GLU CA C 55.972 0.400 1
1222 125 125 GLU CB C 31.053 0.400 1
1223 125 125 GLU CG C 36.560 0.400 1
1224 125 125 GLU N N 120.323 0.400 1
1225 126 126 ASP H H 8.217 0.020 1
1226 126 126 ASP HA H 4.661 0.020 1
1227 126 126 ASP HB2 H 2.500 0.020 1
1228 126 126 ASP HB3 H 2.632 0.020 1
1229 126 126 ASP C C 175.550 0.400 1
1230 126 126 ASP CA C 53.668 0.400 1
1231 126 126 ASP CB C 42.031 0.400 1
1232 126 126 ASP N N 121.935 0.400 1
1233 127 127 ILE H H 7.815 0.020 1
1234 127 127 ILE HA H 5.379 0.020 1
1235 127 127 ILE HB H 1.527 0.020 1
1236 127 127 ILE HD1 H 0.268 0.020 1
1237 127 127 ILE HG12 H 0.646 0.020 2
1238 127 127 ILE HG13 H 0.772 0.020 2
1239 127 127 ILE HG2 H 0.649 0.020 1
1240 127 127 ILE CA C 59.526 0.400 1
1241 127 127 ILE CB C 37.072 0.400 1
1242 127 127 ILE CD1 C 11.874 0.400 1
1243 127 127 ILE CG1 C 26.213 0.400 1
1244 127 127 ILE CG2 C 18.466 0.400 1
1245 127 127 ILE N N 119.361 0.400 1
1246 128 128 VAL HA H 4.251 0.020 1
1247 128 128 VAL HB H 2.068 0.020 1
1248 128 128 VAL HG1 H 0.846 0.020 2
1249 128 128 VAL HG2 H 0.846 0.020 2
1250 128 128 VAL CA C 61.878 0.400 1
1251 128 128 VAL CB C 30.859 0.400 1
1252 128 128 VAL CG1 C 21.286 0.400 1
1253 128 128 VAL CG2 C 21.286 0.400 1
1254 129 129 THR H H 7.426 0.020 1
1255 129 129 THR HA H 4.160 0.020 1
1256 129 129 THR HB H 4.330 0.020 1
1257 129 129 THR HG2 H 0.954 0.020 1
1258 129 129 THR CA C 62.261 0.400 1
1259 129 129 THR CB C 70.476 0.400 1
1260 129 129 THR CG2 C 22.613 0.400 1
1261 129 129 THR N N 113.434 0.400 1
1262 131 131 ARG HB2 H 1.943 0.020 2
1263 131 131 ARG HB3 H 1.943 0.020 2
1264 131 131 ARG HD2 H 3.091 0.020 2
1265 131 131 ARG HD3 H 3.091 0.020 2
1266 131 131 ARG HE H 6.839 0.020 1
1267 131 131 ARG HG2 H 1.576 0.020 2
1268 131 131 ARG HG3 H 1.576 0.020 2
1269 131 131 ARG CB C 30.175 0.400 1
1270 131 131 ARG CD C 42.861 0.400 1
1271 131 131 ARG CG C 27.307 0.400 1
1272 131 131 ARG NE N 82.086 0.400 1
1273 132 132 LYS HA H 4.206 0.020 1
1274 132 132 LYS HB2 H 1.789 0.020 2
1275 132 132 LYS HB3 H 1.892 0.020 2
1276 132 132 LYS HD2 H 1.739 0.020 2
1277 132 132 LYS HD3 H 1.739 0.020 2
1278 132 132 LYS HE2 H 3.040 0.020 2
1279 132 132 LYS HE3 H 3.040 0.020 2
1280 132 132 LYS HG2 H 1.501 0.020 2
1281 132 132 LYS HG3 H 1.550 0.020 2
1282 132 132 LYS CA C 56.913 0.400 1
1283 132 132 LYS CB C 32.958 0.400 1
1284 132 132 LYS CD C 28.965 0.400 1
1285 132 132 LYS CE C 42.250 0.400 1
1286 132 132 LYS CG C 25.131 0.400 1
1287 133 133 MET H H 8.532 0.020 1
1288 133 133 MET HA H 4.703 0.020 1
1289 133 133 MET HB2 H 1.892 0.020 2
1290 133 133 MET HB3 H 1.892 0.020 2
1291 133 133 MET HE H 1.830 0.020 1
1292 133 133 MET HG2 H 2.232 0.020 1
1293 133 133 MET HG3 H 2.518 0.020 1
1294 133 133 MET C C 174.546 0.400 1
1295 133 133 MET CA C 55.554 0.400 1
1296 133 133 MET CB C 34.998 0.400 1
1297 133 133 MET CE C 16.617 0.400 1
1298 133 133 MET CG C 32.748 0.400 1
1299 133 133 MET N N 120.545 0.400 1
1300 134 134 LYS H H 8.926 0.020 1
1301 134 134 LYS HA H 4.643 0.020 1
1302 134 134 LYS HB2 H 1.910 0.020 2
1303 134 134 LYS HB3 H 1.910 0.020 2
1304 134 134 LYS HD2 H 1.747 0.020 2
1305 134 134 LYS HD3 H 1.747 0.020 2
1306 134 134 LYS HE2 H 3.043 0.020 2
1307 134 134 LYS HE3 H 3.043 0.020 2
1308 134 134 LYS HG2 H 1.556 0.020 1
1309 134 134 LYS HG3 H 1.452 0.020 1
1310 134 134 LYS C C 175.494 0.400 1
1311 134 134 LYS CA C 55.551 0.400 1
1312 134 134 LYS CB C 34.919 0.400 1
1313 134 134 LYS CD C 29.179 0.400 1
1314 134 134 LYS CE C 42.251 0.400 1
1315 134 134 LYS CG C 24.830 0.400 1
1316 134 134 LYS N N 122.258 0.400 1
1317 135 135 LEU H H 8.552 0.020 1
1318 135 135 LEU HA H 3.837 0.020 1
1319 135 135 LEU HB2 H 1.214 0.020 1
1320 135 135 LEU HB3 H 1.629 0.020 1
1321 135 135 LEU HD1 H 0.380 0.020 1
1322 135 135 LEU HD2 H 0.639 0.020 1
1323 135 135 LEU HG H 1.047 0.020 1
1324 135 135 LEU C C 175.606 0.400 1
1325 135 135 LEU CA C 55.378 0.400 1
1326 135 135 LEU CB C 41.646 0.400 1
1327 135 135 LEU CD1 C 23.106 0.400 1
1328 135 135 LEU CD2 C 25.509 0.400 1
1329 135 135 LEU CG C 27.055 0.400 1
1330 135 135 LEU N N 127.240 0.400 1
1331 136 136 VAL H H 8.951 0.020 1
1332 136 136 VAL HA H 3.863 0.020 1
1333 136 136 VAL HB H 0.736 0.020 1
1334 136 136 VAL HG1 H 0.361 0.020 1
1335 136 136 VAL HG2 H 0.646 0.020 1
1336 136 136 VAL C C 173.255 0.400 1
1337 136 136 VAL CA C 61.425 0.400 1
1338 136 136 VAL CB C 33.881 0.400 1
1339 136 136 VAL CG1 C 21.357 0.400 1
1340 136 136 VAL CG2 C 21.266 0.400 1
1341 136 136 VAL N N 130.420 0.400 1
1342 137 137 ASN H H 7.996 0.020 1
1343 137 137 ASN HA H 4.807 0.020 1
1344 137 137 ASN HB2 H 2.405 0.020 2
1345 137 137 ASN HB3 H 2.405 0.020 2
1346 137 137 ASN HD21 H 7.017 0.020 2
1347 137 137 ASN HD22 H 6.392 0.020 2
1348 137 137 ASN C C 173.927 0.400 1
1349 137 137 ASN CA C 52.038 0.400 1
1350 137 137 ASN CB C 40.818 0.400 1
1351 137 137 ASN N N 122.170 0.400 1
1352 137 137 ASN ND2 N 111.499 0.400 1
1353 138 138 TYR H H 7.832 0.020 1
1354 138 138 TYR HA H 4.427 0.020 1
1355 138 138 TYR HB2 H 2.636 0.020 1
1356 138 138 TYR HB3 H 2.478 0.020 1
1357 138 138 TYR HD1 H 7.159 0.020 1
1358 138 138 TYR HD2 H 7.159 0.020 1
1359 138 138 TYR HE1 H 6.945 0.020 1
1360 138 138 TYR HE2 H 6.945 0.020 1
1361 138 138 TYR C C 174.039 0.400 1
1362 138 138 TYR CA C 58.290 0.400 1
1363 138 138 TYR CB C 41.193 0.400 1
1364 138 138 TYR CD1 C 133.550 0.400 1
1365 138 138 TYR CD2 C 133.550 0.400 1
1366 138 138 TYR CE1 C 118.496 0.400 1
1367 138 138 TYR CE2 C 118.496 0.400 1
1368 138 138 TYR N N 124.253 0.400 1
1369 139 139 GLY H H 8.315 0.020 1
1370 139 139 GLY HA2 H 3.279 0.020 2
1371 139 139 GLY HA3 H 3.445 0.020 2
1372 139 139 GLY C C 175.578 0.400 1
1373 139 139 GLY CA C 46.704 0.400 1
1374 139 139 GLY N N 116.405 0.400 1
1375 140 140 ARG H H 9.879 0.020 1
1376 140 140 ARG HA H 4.370 0.020 1
1377 140 140 ARG HB2 H 2.133 0.020 2
1378 140 140 ARG HB3 H 1.548 0.020 2
1379 140 140 ARG HD2 H 2.970 0.020 2
1380 140 140 ARG HD3 H 3.124 0.020 2
1381 140 140 ARG HG2 H 1.570 0.020 2
1382 140 140 ARG HG3 H 1.689 0.020 2
1383 140 140 ARG C C 175.578 0.400 1
1384 140 140 ARG CA C 55.378 0.400 1
1385 140 140 ARG CB C 30.122 0.400 1
1386 140 140 ARG CD C 43.169 0.400 1
1387 140 140 ARG CG C 27.087 0.400 1
1388 140 140 ARG N N 128.153 0.400 1
1389 141 141 THR H H 8.356 0.020 1
1390 141 141 THR HA H 4.913 0.020 1
1391 141 141 THR HB H 4.011 0.020 1
1392 141 141 THR HG2 H 1.381 0.020 1
1393 141 141 THR C C 172.388 0.400 1
1394 141 141 THR CA C 60.187 0.400 1
1395 141 141 THR CB C 71.373 0.400 1
1396 141 141 THR CG2 C 19.699 0.400 1
1397 141 141 THR N N 115.225 0.400 1
1398 142 142 TYR H H 7.973 0.020 1
1399 142 142 TYR HA H 5.327 0.020 1
1400 142 142 TYR HB2 H 2.680 0.020 1
1401 142 142 TYR HB3 H 2.905 0.020 1
1402 142 142 TYR HD1 H 6.807 0.020 1
1403 142 142 TYR HD2 H 6.807 0.020 1
1404 142 142 TYR HE1 H 6.809 0.020 1
1405 142 142 TYR HE2 H 6.809 0.020 1
1406 142 142 TYR C C 174.011 0.400 1
1407 142 142 TYR CA C 55.952 0.400 1
1408 142 142 TYR CB C 40.434 0.400 1
1409 142 142 TYR CD1 C 133.254 0.400 1
1410 142 142 TYR CD2 C 133.254 0.400 1
1411 142 142 TYR CE1 C 117.921 0.400 1
1412 142 142 TYR CE2 C 117.921 0.400 1
1413 142 142 TYR N N 119.185 0.400 1
1414 143 143 PHE H H 8.274 0.020 1
1415 143 143 PHE HA H 4.562 0.020 1
1416 143 143 PHE HB2 H 3.025 0.020 2
1417 143 143 PHE HB3 H 3.269 0.020 2
1418 143 143 PHE HD1 H 6.623 0.020 1
1419 143 143 PHE HD2 H 6.623 0.020 1
1420 143 143 PHE HE1 H 6.530 0.020 1
1421 143 143 PHE HE2 H 6.530 0.020 1
1422 143 143 PHE C C 170.708 0.400 1
1423 143 143 PHE CA C 56.253 0.400 1
1424 143 143 PHE CB C 38.200 0.400 1
1425 143 143 PHE CD1 C 131.717 0.400 1
1426 143 143 PHE CD2 C 131.717 0.400 1
1427 143 143 PHE CE1 C 129.809 0.400 1
1428 143 143 PHE CE2 C 129.809 0.400 1
1429 143 143 PHE N N 117.029 0.400 1
1430 144 144 TYR H H 8.923 0.020 1
1431 144 144 TYR HA H 5.628 0.020 1
1432 144 144 TYR HB2 H 2.836 0.020 2
1433 144 144 TYR HB3 H 2.836 0.020 2
1434 144 144 TYR HD1 H 6.827 0.020 1
1435 144 144 TYR HD2 H 6.827 0.020 1
1436 144 144 TYR HE1 H 6.877 0.020 1
1437 144 144 TYR HE2 H 6.877 0.020 1
1438 144 144 TYR C C 175.242 0.400 1
1439 144 144 TYR CA C 57.334 0.400 1
1440 144 144 TYR CB C 41.719 0.400 1
1441 144 144 TYR CD1 C 132.319 0.400 1
1442 144 144 TYR CD2 C 132.319 0.400 1
1443 144 144 TYR CE1 C 118.201 0.400 1
1444 144 144 TYR CE2 C 118.201 0.400 1
1445 144 144 TYR N N 117.027 0.400 1
1446 145 145 GLU H H 9.783 0.020 1
1447 145 145 GLU HA H 5.881 0.020 1
1448 145 145 GLU HB2 H 2.149 0.020 1
1449 145 145 GLU HB3 H 2.023 0.020 1
1450 145 145 GLU HG2 H 2.143 0.020 1
1451 145 145 GLU HG3 H 2.235 0.020 1
1452 145 145 GLU C C 174.515 0.400 1
1453 145 145 GLU CA C 54.562 0.400 1
1454 145 145 GLU CB C 36.612 0.400 1
1455 145 145 GLU CG C 38.256 0.400 1
1456 145 145 GLU N N 123.857 0.400 1
1457 146 146 TYR H H 9.452 0.020 1
1458 146 146 TYR HA H 5.081 0.020 1
1459 146 146 TYR HB2 H 3.167 0.020 1
1460 146 146 TYR HB3 H 2.762 0.020 1
1461 146 146 TYR HD1 H 6.984 0.020 1
1462 146 146 TYR HD2 H 6.984 0.020 1
1463 146 146 TYR HE1 H 6.838 0.020 1
1464 146 146 TYR HE2 H 6.838 0.020 1
1465 146 146 TYR C C 172.360 0.400 1
1466 146 146 TYR CA C 56.603 0.400 1
1467 146 146 TYR CB C 43.714 0.400 1
1468 146 146 TYR CD1 C 132.551 0.400 1
1469 146 146 TYR CD2 C 132.551 0.400 1
1470 146 146 TYR CE1 C 118.276 0.400 1
1471 146 146 TYR CE2 C 118.276 0.400 1
1472 146 146 TYR N N 128.172 0.400 1
1473 147 147 ILE H H 7.953 0.020 1
1474 147 147 ILE HA H 3.977 0.020 1
1475 147 147 ILE HB H 1.640 0.020 1
1476 147 147 ILE HD1 H 0.856 0.020 1
1477 147 147 ILE HG12 H 1.488 0.020 1
1478 147 147 ILE HG13 H 0.968 0.020 1
1479 147 147 ILE HG2 H 0.792 0.020 1
1480 147 147 ILE C C 173.703 0.400 1
1481 147 147 ILE CA C 60.195 0.400 1
1482 147 147 ILE CB C 38.990 0.400 1
1483 147 147 ILE CD1 C 13.139 0.400 1
1484 147 147 ILE CG1 C 28.022 0.400 1
1485 147 147 ILE CG2 C 17.295 0.400 1
1486 147 147 ILE N N 128.252 0.400 1
1487 148 148 ALA H H 7.167 0.020 1
1488 148 148 ALA HA H 3.987 0.020 1
1489 148 148 ALA HB H 1.440 0.020 1
1490 148 148 ALA C C 177.509 0.400 1
1491 148 148 ALA CA C 52.511 0.400 1
1492 148 148 ALA CB C 20.097 0.400 1
1493 148 148 ALA N N 128.557 0.400 1
1494 149 149 GLU H H 8.305 0.020 1
1495 149 149 GLU HA H 4.219 0.020 1
1496 149 149 GLU HB2 H 1.962 0.020 2
1497 149 149 GLU HB3 H 1.962 0.020 2
1498 149 149 GLU HG2 H 2.222 0.020 2
1499 149 149 GLU HG3 H 2.320 0.020 2
1500 149 149 GLU C C 176.362 0.400 1
1501 149 149 GLU CA C 56.397 0.400 1
1502 149 149 GLU CB C 30.651 0.400 1
1503 149 149 GLU CG C 36.252 0.400 1
1504 149 149 GLU N N 121.116 0.400 1
1505 150 150 VAL H H 8.269 0.020 1
1506 150 150 VAL HA H 4.094 0.020 1
1507 150 150 VAL HB H 2.076 0.020 1
1508 150 150 VAL HG1 H 0.961 0.020 1
1509 150 150 VAL HG2 H 0.991 0.020 1
1510 150 150 VAL C C 176.194 0.400 1
1511 150 150 VAL CA C 62.533 0.400 1
1512 150 150 VAL CB C 32.370 0.400 1
1513 150 150 VAL CG1 C 21.144 0.400 1
1514 150 150 VAL CG2 C 20.730 0.400 1
1515 150 150 VAL N N 122.604 0.400 1
1516 151 151 ARG H H 8.469 0.020 1
1517 151 151 ARG HA H 4.481 0.020 1
1518 151 151 ARG HB2 H 1.914 0.020 2
1519 151 151 ARG HB3 H 1.792 0.020 2
1520 151 151 ARG HD2 H 3.228 0.020 2
1521 151 151 ARG HD3 H 3.228 0.020 2
1522 151 151 ARG HG2 H 1.648 0.020 2
1523 151 151 ARG HG3 H 1.648 0.020 2
1524 151 151 ARG C C 176.138 0.400 1
1525 151 151 ARG CA C 55.691 0.400 1
1526 151 151 ARG CB C 31.039 0.400 1
1527 151 151 ARG CD C 43.416 0.400 1
1528 151 151 ARG CG C 27.096 0.400 1
1529 151 151 ARG N N 125.215 0.400 1
1530 152 152 SER H H 8.373 0.020 1
1531 152 152 SER HA H 4.462 0.020 1
1532 152 152 SER HB2 H 3.896 0.020 2
1533 152 152 SER HB3 H 3.896 0.020 2
1534 152 152 SER C C 173.479 0.400 1
1535 152 152 SER CA C 58.425 0.400 1
1536 152 152 SER CB C 63.839 0.400 1
1537 152 152 SER N N 117.594 0.400 1
1538 153 153 ARG H H 8.004 0.020 1
1539 153 153 ARG HA H 4.224 0.020 1
1540 153 153 ARG HB2 H 1.751 0.020 2
1541 153 153 ARG HB3 H 1.890 0.020 2
1542 153 153 ARG HD2 H 3.226 0.020 2
1543 153 153 ARG HD3 H 3.226 0.020 2
1544 153 153 ARG HG2 H 1.627 0.020 2
1545 153 153 ARG HG3 H 1.627 0.020 2
1546 153 153 ARG CA C 57.473 0.400 1
1547 153 153 ARG CB C 31.495 0.400 1
1548 153 153 ARG CD C 43.472 0.400 1
1549 153 153 ARG CG C 27.285 0.400 1
1550 153 153 ARG N N 127.899 0.400 1
stop_
save_