data_17045
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
KSR1 CA1 domain
;
_BMRB_accession_number 17045
_BMRB_flat_file_name bmr17045.str
_Entry_type original
_Submission_date 2010-07-06
_Accession_date 2010-07-06
_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 Koveal Dorothy . .
2 Pinheiro Anderson . .
3 Peti Wolfgang . .
4 Page Rebecca . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 885
"13C chemical shifts" 621
"15N chemical shifts" 159
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-03-24 update BMRB 'update entry citation'
2010-09-08 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Backbone and side chain (1)H, (15)N and (13)C assignments of the KSR1 CA1 domain.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 20737253
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Koveal Dorothy . .
2 Pinheiro Anderson S. .
3 Peti Wolfgang . .
4 Page Rebecca . .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_name_full 'Biomolecular NMR assignments'
_Journal_volume 5
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 39
_Page_last 41
_Year 2011
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'KSR1 CA1 monomer'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'KSR1 CA1 monomer' $KSR1_CA1
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_KSR1_CA1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common KSR1_CA1
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 149
_Mol_residue_sequence
;
GHMDGGAGAAVSRALQQCGQ
LQKLIDISIGSLRGLRTKCS
VSNDLTQQEIRTLEAKLVKY
ICKQQQSKLSVTPSDRTAEL
NSYPRFSDWLYIFNVRPEVV
QEIPQELTLDALLEMDEAKA
KEMLRRWGASTEECSRLQQA
LTCLRKVTG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 HIS 3 MET 4 ASP 5 GLY
6 GLY 7 ALA 8 GLY 9 ALA 10 ALA
11 VAL 12 SER 13 ARG 14 ALA 15 LEU
16 GLN 17 GLN 18 CYS 19 GLY 20 GLN
21 LEU 22 GLN 23 LYS 24 LEU 25 ILE
26 ASP 27 ILE 28 SER 29 ILE 30 GLY
31 SER 32 LEU 33 ARG 34 GLY 35 LEU
36 ARG 37 THR 38 LYS 39 CYS 40 SER
41 VAL 42 SER 43 ASN 44 ASP 45 LEU
46 THR 47 GLN 48 GLN 49 GLU 50 ILE
51 ARG 52 THR 53 LEU 54 GLU 55 ALA
56 LYS 57 LEU 58 VAL 59 LYS 60 TYR
61 ILE 62 CYS 63 LYS 64 GLN 65 GLN
66 GLN 67 SER 68 LYS 69 LEU 70 SER
71 VAL 72 THR 73 PRO 74 SER 75 ASP
76 ARG 77 THR 78 ALA 79 GLU 80 LEU
81 ASN 82 SER 83 TYR 84 PRO 85 ARG
86 PHE 87 SER 88 ASP 89 TRP 90 LEU
91 TYR 92 ILE 93 PHE 94 ASN 95 VAL
96 ARG 97 PRO 98 GLU 99 VAL 100 VAL
101 GLN 102 GLU 103 ILE 104 PRO 105 GLN
106 GLU 107 LEU 108 THR 109 LEU 110 ASP
111 ALA 112 LEU 113 LEU 114 GLU 115 MET
116 ASP 117 GLU 118 ALA 119 LYS 120 ALA
121 LYS 122 GLU 123 MET 124 LEU 125 ARG
126 ARG 127 TRP 128 GLY 129 ALA 130 SER
131 THR 132 GLU 133 GLU 134 CYS 135 SER
136 ARG 137 LEU 138 GLN 139 GLN 140 ALA
141 LEU 142 THR 143 CYS 144 LEU 145 ARG
146 LYS 147 VAL 148 THR 149 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 17724 KSR1 100.00 149 100.00 100.00 1.05e-103
BMRB 17725 KSR1_CA1-CA1a 97.99 172 100.00 100.00 1.23e-100
BMRB 18740 KSR1_CC-SAM 100.00 149 100.00 100.00 1.05e-103
PDB 2LPE "Solution Nmr Structure Of The Ksr1 Ca1-Ca1a Domain" 100.00 149 100.00 100.00 1.05e-103
EMBL CAA57288 "hb [Mus musculus]" 81.88 426 100.00 100.00 9.01e-80
GB AAC52382 "protein kinase related to Raf protein kinases; Method: conceptual translation supplied by author [Mus musculus]" 97.99 873 100.00 100.00 7.54e-93
GB AAI68386 "Kinase suppressor of ras 1 [synthetic construct]" 97.99 873 100.00 100.00 7.54e-93
GB ABK42251 "Ksr1 [synthetic construct]" 97.99 873 100.00 100.00 7.54e-93
REF NP_038599 "kinase suppressor of Ras 1 [Mus musculus]" 97.99 873 100.00 100.00 7.54e-93
REF XP_006246986 "PREDICTED: kinase suppressor of Ras 1 isoform X4 [Rattus norvegicus]" 97.99 915 97.26 98.63 3.31e-90
REF XP_006246988 "PREDICTED: kinase suppressor of Ras 1 isoform X7 [Rattus norvegicus]" 97.99 888 97.26 98.63 1.60e-90
REF XP_006246989 "PREDICTED: kinase suppressor of Ras 1 isoform X6 [Rattus norvegicus]" 97.99 874 97.26 98.63 1.47e-90
REF XP_006532397 "PREDICTED: kinase suppressor of Ras 1 isoform X4 [Mus musculus]" 97.99 887 100.00 100.00 8.42e-93
SP Q61097 "RecName: Full=Kinase suppressor of Ras 1; Short=mKSR1; AltName: Full=Protein Hb" 97.99 873 100.00 100.00 7.54e-93
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$KSR1_CA1 Mouse 10090 Eukaryota Metazoa Mus musculus
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
$KSR1_CA1 'recombinant technology' . Escherichia coli . pJexpress411
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$KSR1_CA1 2 mM '[U-99% 13C; U-99% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
TCEP 0.5 mM 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$KSR1_CA1 2 mM 'natural abundance'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
TCEP 0.5 mM 'natural abundance'
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$KSR1_CA1 2 mM '[U-99% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
TCEP 0.5 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
processing
stop_
_Details .
save_
save_CARA
_Saveframe_category software
_Name CARA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
'peak picking'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 500
_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 $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_3D_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_(H)CC(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D (H)CC(CO)NH'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_3
save_
save_3D_1H-13C_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_2D_1H-1H_TOCSY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label $sample_2
save_
save_2D_1H-1H_NOESY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_2
save_
save_2D_1H-1H_COSY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H COSY'
_Sample_label $sample_2
save_
save_3D_HN(CA)CO_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.12 . M
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_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D HBHA(CO)NH'
'3D HNCO'
'3D HCCH-TOCSY'
'3D 1H-15N NOESY'
'2D 1H-1H NOESY'
'3D HN(CA)CO'
stop_
loop_
_Sample_label
$sample_1
$sample_3
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'KSR1 CA1 monomer'
_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 MET HA H 4.437 0.015 1
2 3 3 MET HB2 H 2.062 0.015 1
3 3 3 MET HB3 H 1.921 0.015 1
4 3 3 MET HE H 2.051 0.015 1
5 3 3 MET HG2 H 2.469 0.015 1
6 3 3 MET HG3 H 2.365 0.015 1
7 3 3 MET C C 175.922 0.5 1
8 3 3 MET CA C 55.243 0.5 1
9 3 3 MET CB C 32.181 0.5 1
10 3 3 MET CE C 16.806 0.5 1
11 3 3 MET CG C 31.701 0.5 1
12 4 4 ASP H H 8.213 0.015 1
13 4 4 ASP HA H 4.582 0.015 1
14 4 4 ASP HB2 H 2.673 0.015 1
15 4 4 ASP HB3 H 2.673 0.015 1
16 4 4 ASP C C 176.908 0.5 1
17 4 4 ASP CA C 54.763 0.5 1
18 4 4 ASP CB C 41.310 0.5 1
19 4 4 ASP N N 121.434 0.12 1
20 5 5 GLY H H 8.374 0.015 1
21 5 5 GLY HA2 H 3.940 0.015 1
22 5 5 GLY HA3 H 3.940 0.015 1
23 5 5 GLY C C 175.097 0.5 1
24 5 5 GLY CA C 45.634 0.5 1
25 5 5 GLY N N 109.609 0.12 1
26 6 6 GLY H H 8.295 0.015 1
27 6 6 GLY HA2 H 3.960 0.015 1
28 6 6 GLY HA3 H 3.960 0.015 1
29 6 6 GLY C C 174.748 0.5 1
30 6 6 GLY CA C 45.153 0.5 1
31 6 6 GLY N N 108.869 0.12 1
32 7 7 ALA H H 8.328 0.015 1
33 7 7 ALA HA H 4.267 0.015 1
34 7 7 ALA HB H 1.391 0.015 1
35 7 7 ALA C C 179.010 0.5 1
36 7 7 ALA CA C 53.802 0.5 1
37 7 7 ALA CB C 19.209 0.5 1
38 7 7 ALA N N 124.516 0.12 1
39 8 8 GLY H H 8.465 0.015 1
40 8 8 GLY HA2 H 3.907 0.015 1
41 8 8 GLY HA3 H 3.907 0.015 1
42 8 8 GLY C C 175.748 0.5 1
43 8 8 GLY CA C 46.114 0.5 1
44 8 8 GLY N N 107.022 0.12 1
45 9 9 ALA H H 7.998 0.015 1
46 9 9 ALA HA H 4.206 0.015 1
47 9 9 ALA HB H 1.426 0.015 1
48 9 9 ALA C C 179.395 0.5 1
49 9 9 ALA CA C 54.282 0.5 1
50 9 9 ALA CB C 18.728 0.5 1
51 9 9 ALA N N 124.242 0.12 1
52 10 10 ALA H H 8.150 0.015 1
53 10 10 ALA HA H 4.075 0.015 1
54 10 10 ALA HB H 1.533 0.015 1
55 10 10 ALA C C 180.830 0.5 1
56 10 10 ALA CA C 55.243 0.5 1
57 10 10 ALA CB C 18.248 0.5 1
58 10 10 ALA N N 121.803 0.12 1
59 11 11 VAL H H 8.301 0.015 1
60 11 11 VAL HA H 3.638 0.015 1
61 11 11 VAL HB H 2.167 0.015 1
62 11 11 VAL HG1 H 1.157 0.015 2
63 11 11 VAL HG2 H 1.048 0.015 2
64 11 11 VAL C C 177.189 0.5 1
65 11 11 VAL CA C 66.294 0.5 1
66 11 11 VAL CB C 31.701 0.5 1
67 11 11 VAL CG1 C 24.013 0.5 1
68 11 11 VAL CG2 C 21.131 0.5 1
69 11 11 VAL N N 119.408 0.12 1
70 12 12 SER H H 7.893 0.015 1
71 12 12 SER HA H 3.933 0.015 1
72 12 12 SER HB2 H 4.161 0.015 1
73 12 12 SER HB3 H 4.161 0.015 1
74 12 12 SER C C 177.443 0.5 1
75 12 12 SER CA C 62.450 0.5 1
76 12 12 SER CB C 62.450 0.5 1
77 12 12 SER N N 115.024 0.12 1
78 13 13 ARG H H 8.010 0.015 1
79 13 13 ARG HA H 4.062 0.015 1
80 13 13 ARG HB2 H 1.853 0.015 1
81 13 13 ARG HB3 H 1.853 0.015 1
82 13 13 ARG HD2 H 3.181 0.015 1
83 13 13 ARG HD3 H 3.181 0.015 1
84 13 13 ARG HG2 H 1.747 0.015 1
85 13 13 ARG HG3 H 1.747 0.015 1
86 13 13 ARG C C 178.560 0.5 1
87 13 13 ARG CA C 59.567 0.5 1
88 13 13 ARG CB C 29.779 0.5 1
89 13 13 ARG CD C 43.232 0.5 1
90 13 13 ARG CG C 27.376 0.5 1
91 13 13 ARG N N 121.847 0.12 1
92 14 14 ALA H H 7.819 0.015 1
93 14 14 ALA HA H 4.132 0.015 1
94 14 14 ALA HB H 1.349 0.015 1
95 14 14 ALA C C 180.259 0.5 1
96 14 14 ALA CA C 55.243 0.5 1
97 14 14 ALA CB C 19.689 0.5 1
98 14 14 ALA N N 122.845 0.12 1
99 15 15 LEU H H 8.721 0.015 1
100 15 15 LEU HA H 3.780 0.015 1
101 15 15 LEU HB2 H 1.898 0.015 1
102 15 15 LEU HB3 H 1.544 0.015 1
103 15 15 LEU HD1 H 0.895 0.015 2
104 15 15 LEU HD2 H 0.876 0.015 2
105 15 15 LEU HG H 1.724 0.015 1
106 15 15 LEU C C 180.557 0.5 1
107 15 15 LEU CA C 58.126 0.5 1
108 15 15 LEU CB C 42.271 0.5 1
109 15 15 LEU CD1 C 25.455 0.5 1
110 15 15 LEU CD2 C 23.533 0.5 1
111 15 15 LEU CG C 26.896 0.5 1
112 15 15 LEU N N 119.383 0.12 1
113 16 16 GLN H H 8.121 0.015 1
114 16 16 GLN HA H 4.030 0.015 1
115 16 16 GLN HB2 H 2.187 0.015 1
116 16 16 GLN HB3 H 2.187 0.015 1
117 16 16 GLN HE21 H 7.320 0.015 1
118 16 16 GLN HE22 H 6.738 0.015 1
119 16 16 GLN HG2 H 2.404 0.015 1
120 16 16 GLN HG3 H 2.404 0.015 1
121 16 16 GLN C C 179.131 0.5 1
122 16 16 GLN CA C 59.087 0.5 1
123 16 16 GLN CB C 27.376 0.5 1
124 16 16 GLN CG C 33.622 0.5 1
125 16 16 GLN N N 121.609 0.12 1
126 16 16 GLN NE2 N 111.213 0.12 1
127 17 17 GLN H H 8.092 0.015 1
128 17 17 GLN HA H 4.029 0.015 1
129 17 17 GLN HB2 H 2.311 0.015 1
130 17 17 GLN HB3 H 2.059 0.015 1
131 17 17 GLN HE21 H 7.349 0.015 1
132 17 17 GLN HE22 H 6.781 0.015 1
133 17 17 GLN HG2 H 2.454 0.015 1
134 17 17 GLN HG3 H 2.454 0.015 1
135 17 17 GLN C C 179.585 0.5 1
136 17 17 GLN CA C 59.087 0.5 1
137 17 17 GLN CB C 27.857 0.5 1
138 17 17 GLN CG C 33.622 0.5 1
139 17 17 GLN N N 119.940 0.12 1
140 17 17 GLN NE2 N 111.006 0.12 1
141 18 18 CYS H H 8.694 0.015 1
142 18 18 CYS HA H 3.801 0.015 1
143 18 18 CYS HB2 H 2.379 0.015 1
144 18 18 CYS HB3 H 2.379 0.015 1
145 18 18 CYS C C 177.696 0.5 1
146 18 18 CYS CA C 66.294 0.5 1
147 18 18 CYS CB C 25.935 0.5 1
148 18 18 CYS N N 116.683 0.12 1
149 19 19 GLY H H 8.321 0.015 1
150 19 19 GLY HA2 H 3.878 0.015 1
151 19 19 GLY HA3 H 3.878 0.015 1
152 19 19 GLY C C 176.408 0.5 1
153 19 19 GLY CA C 46.595 0.5 1
154 19 19 GLY N N 108.080 0.12 1
155 20 20 GLN H H 7.942 0.015 1
156 20 20 GLN HA H 4.045 0.015 1
157 20 20 GLN HB2 H 2.148 0.015 1
158 20 20 GLN HB3 H 2.069 0.015 1
159 20 20 GLN HE21 H 7.318 0.015 1
160 20 20 GLN HE22 H 6.722 0.015 1
161 20 20 GLN HG2 H 2.470 0.015 1
162 20 20 GLN HG3 H 2.470 0.015 1
163 20 20 GLN C C 179.771 0.5 1
164 20 20 GLN CA C 59.087 0.5 1
165 20 20 GLN CB C 27.376 0.5 1
166 20 20 GLN CG C 34.103 0.5 1
167 20 20 GLN N N 123.288 0.12 1
168 20 20 GLN NE2 N 111.213 0.12 1
169 21 21 LEU H H 7.938 0.015 1
170 21 21 LEU HA H 3.780 0.015 1
171 21 21 LEU HB2 H 1.834 0.015 1
172 21 21 LEU HB3 H 1.834 0.015 1
173 21 21 LEU HD1 H 0.900 0.015 2
174 21 21 LEU HD2 H 0.836 0.015 2
175 21 21 LEU HG H 1.724 0.015 1
176 21 21 LEU C C 178.334 0.5 1
177 21 21 LEU CA C 57.645 0.5 1
178 21 21 LEU CB C 43.232 0.5 1
179 21 21 LEU CD1 C 23.052 0.5 1
180 21 21 LEU CD2 C 23.052 0.5 1
181 21 21 LEU CG C 27.376 0.5 1
182 21 21 LEU N N 119.739 0.12 1
183 22 22 GLN H H 8.298 0.015 1
184 22 22 GLN HA H 3.730 0.015 1
185 22 22 GLN HB2 H 2.309 0.015 1
186 22 22 GLN HB3 H 2.178 0.015 1
187 22 22 GLN HE21 H 7.471 0.015 1
188 22 22 GLN HE22 H 6.566 0.015 1
189 22 22 GLN HG2 H 2.499 0.015 1
190 22 22 GLN HG3 H 2.499 0.015 1
191 22 22 GLN C C 177.116 0.5 1
192 22 22 GLN CA C 57.165 0.5 1
193 22 22 GLN CB C 27.376 0.5 1
194 22 22 GLN CG C 33.622 0.5 1
195 22 22 GLN N N 119.407 0.12 1
196 22 22 GLN NE2 N 110.177 0.12 1
197 23 23 LYS H H 7.232 0.015 1
198 23 23 LYS HA H 4.118 0.015 1
199 23 23 LYS HB2 H 1.887 0.015 1
200 23 23 LYS HB3 H 1.887 0.015 1
201 23 23 LYS HD2 H 1.657 0.015 1
202 23 23 LYS HD3 H 1.657 0.015 1
203 23 23 LYS HE2 H 2.947 0.015 1
204 23 23 LYS HE3 H 2.947 0.015 1
205 23 23 LYS HG2 H 1.484 0.015 1
206 23 23 LYS HG3 H 1.484 0.015 1
207 23 23 LYS C C 179.361 0.5 1
208 23 23 LYS CA C 59.567 0.5 1
209 23 23 LYS CB C 32.181 0.5 1
210 23 23 LYS CD C 29.298 0.5 1
211 23 23 LYS CE C 42.271 0.5 1
212 23 23 LYS CG C 25.455 0.5 1
213 23 23 LYS N N 117.140 0.12 1
214 24 24 LEU H H 6.690 0.015 1
215 24 24 LEU HA H 3.966 0.015 1
216 24 24 LEU HB2 H 1.355 0.015 1
217 24 24 LEU HB3 H 0.985 0.015 1
218 24 24 LEU HD1 H 0.645 0.015 2
219 24 24 LEU HD2 H 0.700 0.015 2
220 24 24 LEU HG H 1.588 0.015 1
221 24 24 LEU C C 180.851 0.5 1
222 24 24 LEU CA C 57.165 0.5 1
223 24 24 LEU CB C 40.349 0.5 1
224 24 24 LEU CD1 C 24.494 0.5 1
225 24 24 LEU CD2 C 22.091 0.5 1
226 24 24 LEU CG C 26.416 0.5 1
227 24 24 LEU N N 117.044 0.12 1
228 25 25 ILE H H 8.484 0.015 1
229 25 25 ILE HA H 3.590 0.015 1
230 25 25 ILE HB H 1.984 0.015 1
231 25 25 ILE HD1 H 0.817 0.015 1
232 25 25 ILE HG12 H 1.705 0.015 1
233 25 25 ILE HG13 H 1.705 0.015 1
234 25 25 ILE HG2 H 0.936 0.015 1
235 25 25 ILE C C 177.028 0.5 1
236 25 25 ILE CA C 65.813 0.5 1
237 25 25 ILE CB C 37.947 0.5 1
238 25 25 ILE CD1 C 14.404 0.5 1
239 25 25 ILE CG1 C 31.701 0.5 1
240 25 25 ILE CG2 C 16.806 0.5 1
241 25 25 ILE N N 124.702 0.12 1
242 26 26 ASP H H 9.021 0.015 1
243 26 26 ASP HA H 4.321 0.015 1
244 26 26 ASP HB2 H 2.815 0.015 1
245 26 26 ASP HB3 H 2.626 0.015 1
246 26 26 ASP C C 180.812 0.5 1
247 26 26 ASP CA C 58.126 0.5 1
248 26 26 ASP CB C 39.868 0.5 1
249 26 26 ASP N N 120.597 0.12 1
250 27 27 ILE H H 7.616 0.015 1
251 27 27 ILE HA H 3.848 0.015 1
252 27 27 ILE HB H 1.863 0.015 1
253 27 27 ILE HD1 H 0.840 0.015 1
254 27 27 ILE HG12 H 1.211 0.015 1
255 27 27 ILE HG13 H 1.211 0.015 1
256 27 27 ILE HG2 H 0.959 0.015 1
257 27 27 ILE C C 179.239 0.5 1
258 27 27 ILE CA C 64.852 0.5 1
259 27 27 ILE CB C 38.907 0.5 1
260 27 27 ILE CD1 C 13.443 0.5 1
261 27 27 ILE CG1 C 29.298 0.5 1
262 27 27 ILE CG2 C 16.806 0.5 1
263 27 27 ILE N N 120.094 0.12 1
264 28 28 SER H H 8.052 0.015 1
265 28 28 SER HA H 3.843 0.015 1
266 28 28 SER HB2 H 4.352 0.015 1
267 28 28 SER HB3 H 4.352 0.015 1
268 28 28 SER C C 176.112 0.5 1
269 28 28 SER CA C 63.891 0.5 1
270 28 28 SER CB C 64.372 0.5 1
271 28 28 SER N N 118.134 0.12 1
272 29 29 ILE H H 9.589 0.015 1
273 29 29 ILE HA H 3.785 0.015 1
274 29 29 ILE HB H 2.072 0.015 1
275 29 29 ILE HD1 H 0.933 0.015 1
276 29 29 ILE HG12 H 1.158 0.015 1
277 29 29 ILE HG13 H 1.158 0.015 1
278 29 29 ILE HG2 H 0.695 0.015 1
279 29 29 ILE C C 177.863 0.5 1
280 29 29 ILE CA C 65.813 0.5 1
281 29 29 ILE CB C 36.505 0.5 1
282 29 29 ILE CD1 C 10.159 0.5 1
283 29 29 ILE CG1 C 30.700 0.5 1
284 29 29 ILE CG2 C 16.326 0.5 1
285 29 29 ILE N N 124.827 0.12 1
286 30 30 GLY H H 7.716 0.015 1
287 30 30 GLY HA2 H 3.947 0.015 1
288 30 30 GLY HA3 H 3.785 0.015 1
289 30 30 GLY C C 177.586 0.5 1
290 30 30 GLY CA C 47.556 0.5 1
291 30 30 GLY N N 107.287 0.12 1
292 31 31 SER H H 7.920 0.015 1
293 31 31 SER HA H 4.309 0.015 1
294 31 31 SER HB2 H 4.068 0.015 1
295 31 31 SER HB3 H 3.942 0.015 1
296 31 31 SER C C 176.562 0.5 1
297 31 31 SER CA C 61.489 0.5 1
298 31 31 SER CB C 62.930 0.5 1
299 31 31 SER N N 118.458 0.12 1
300 32 32 LEU H H 8.638 0.015 1
301 32 32 LEU HA H 3.994 0.015 1
302 32 32 LEU HB2 H 2.214 0.015 1
303 32 32 LEU HB3 H 1.605 0.015 1
304 32 32 LEU HD1 H 1.000 0.015 2
305 32 32 LEU HD2 H 1.000 0.015 2
306 32 32 LEU HG H 0.824 0.015 1
307 32 32 LEU C C 177.669 0.5 1
308 32 32 LEU CA C 58.126 0.5 1
309 32 32 LEU CB C 42.751 0.5 1
310 32 32 LEU CD1 C 24.974 0.5 1
311 32 32 LEU CD2 C 24.974 0.5 1
312 32 32 LEU CG C 26.416 0.5 1
313 32 32 LEU N N 125.231 0.12 1
314 33 33 ARG H H 8.820 0.015 1
315 33 33 ARG HA H 4.294 0.015 1
316 33 33 ARG HB2 H 1.858 0.015 1
317 33 33 ARG HB3 H 1.858 0.015 1
318 33 33 ARG HD2 H 3.007 0.015 1
319 33 33 ARG HD3 H 3.007 0.015 1
320 33 33 ARG HG2 H 1.510 0.015 1
321 33 33 ARG HG3 H 1.510 0.015 1
322 33 33 ARG C C 180.392 0.5 1
323 33 33 ARG CA C 59.567 0.5 1
324 33 33 ARG CB C 30.259 0.5 1
325 33 33 ARG CD C 43.232 0.5 1
326 33 33 ARG CG C 27.376 0.5 1
327 33 33 ARG N N 119.467 0.12 1
328 34 34 GLY H H 7.599 0.015 1
329 34 34 GLY HA2 H 3.944 0.015 1
330 34 34 GLY HA3 H 3.944 0.015 1
331 34 34 GLY C C 176.165 0.5 1
332 34 34 GLY CA C 46.595 0.5 1
333 34 34 GLY N N 105.876 0.12 1
334 35 35 LEU H H 7.903 0.015 1
335 35 35 LEU HA H 4.113 0.015 1
336 35 35 LEU HB2 H 1.314 0.015 1
337 35 35 LEU HB3 H 1.314 0.015 1
338 35 35 LEU HD1 H 0.897 0.015 2
339 35 35 LEU HD2 H 0.897 0.015 2
340 35 35 LEU HG H 0.804 0.015 1
341 35 35 LEU C C 179.460 0.5 1
342 35 35 LEU CA C 58.126 0.5 1
343 35 35 LEU CB C 42.751 0.5 1
344 35 35 LEU CD1 C 23.052 0.5 1
345 35 35 LEU CD2 C 23.052 0.5 1
346 35 35 LEU CG C 26.896 0.5 1
347 35 35 LEU N N 121.765 0.12 1
348 36 36 ARG H H 8.440 0.015 1
349 36 36 ARG HA H 4.017 0.015 1
350 36 36 ARG HB2 H 1.855 0.015 1
351 36 36 ARG HB3 H 1.855 0.015 1
352 36 36 ARG HD2 H 2.944 0.015 1
353 36 36 ARG HD3 H 2.944 0.015 1
354 36 36 ARG HG2 H 1.566 0.015 1
355 36 36 ARG HG3 H 1.566 0.015 1
356 36 36 ARG C C 178.160 0.5 1
357 36 36 ARG CA C 59.567 0.5 1
358 36 36 ARG CB C 31.220 0.5 1
359 36 36 ARG CD C 42.751 0.5 1
360 36 36 ARG CG C 28.818 0.5 1
361 36 36 ARG N N 116.481 0.12 1
362 37 37 THR H H 7.517 0.015 1
363 37 37 THR HA H 4.327 0.015 1
364 37 37 THR HB H 4.327 0.015 1
365 37 37 THR HG2 H 1.290 0.015 1
366 37 37 THR C C 175.257 0.5 1
367 37 37 THR CA C 63.411 0.5 1
368 37 37 THR CB C 70.137 0.5 1
369 37 37 THR CG2 C 21.611 0.5 1
370 37 37 THR N N 109.264 0.12 1
371 38 38 LYS H H 7.520 0.015 1
372 38 38 LYS HA H 4.362 0.015 1
373 38 38 LYS HB2 H 1.914 0.015 1
374 38 38 LYS HB3 H 1.914 0.015 1
375 38 38 LYS HD2 H 1.545 0.015 1
376 38 38 LYS HD3 H 1.545 0.015 1
377 38 38 LYS HE2 H 2.943 0.015 1
378 38 38 LYS HE3 H 2.943 0.015 1
379 38 38 LYS HG2 H 1.539 0.015 1
380 38 38 LYS HG3 H 1.483 0.015 1
381 38 38 LYS CA C 57.165 0.5 1
382 38 38 LYS CB C 33.142 0.5 1
383 38 38 LYS CD C 24.974 0.5 1
384 38 38 LYS CE C 41.790 0.5 1
385 38 38 LYS CG C 24.974 0.5 1
386 38 38 LYS N N 121.551 0.12 1
387 39 39 CYS HA H 4.489 0.015 1
388 39 39 CYS HB2 H 2.967 0.015 1
389 39 39 CYS HB3 H 2.967 0.015 1
390 39 39 CYS C C 174.670 0.5 1
391 39 39 CYS CA C 59.087 0.5 1
392 39 39 CYS CB C 27.857 0.5 1
393 40 40 SER H H 8.355 0.015 1
394 40 40 SER HA H 4.525 0.015 1
395 40 40 SER HB2 H 3.977 0.015 1
396 40 40 SER HB3 H 3.839 0.015 1
397 40 40 SER C C 174.835 0.5 1
398 40 40 SER CA C 58.126 0.5 1
399 40 40 SER CB C 63.891 0.5 1
400 40 40 SER N N 118.473 0.12 1
401 41 41 VAL H H 8.044 0.015 1
402 41 41 VAL HA H 4.136 0.015 1
403 41 41 VAL HB H 2.148 0.015 1
404 41 41 VAL HG1 H 0.929 0.015 2
405 41 41 VAL HG2 H 0.925 0.015 2
406 41 41 VAL C C 175.803 0.5 1
407 41 41 VAL CA C 62.450 0.5 1
408 41 41 VAL CB C 32.662 0.5 1
409 41 41 VAL CG1 C 21.131 0.5 1
410 41 41 VAL CG2 C 20.170 0.5 1
411 41 41 VAL N N 120.532 0.12 1
412 42 42 SER H H 8.134 0.015 1
413 42 42 SER HA H 4.398 0.015 1
414 42 42 SER HB2 H 3.835 0.015 1
415 42 42 SER HB3 H 3.835 0.015 1
416 42 42 SER C C 174.394 0.5 1
417 42 42 SER CA C 58.126 0.5 1
418 42 42 SER CB C 63.411 0.5 1
419 42 42 SER N N 116.755 0.12 1
420 43 43 ASN H H 8.172 0.015 1
421 43 43 ASN HA H 4.686 0.015 1
422 43 43 ASN HB2 H 2.957 0.015 1
423 43 43 ASN HB3 H 2.875 0.015 1
424 43 43 ASN HD21 H 7.595 0.015 1
425 43 43 ASN HD22 H 6.890 0.015 1
426 43 43 ASN CA C 53.321 0.5 1
427 43 43 ASN CB C 38.907 0.5 1
428 43 43 ASN N N 120.964 0.12 1
429 43 43 ASN ND2 N 113.076 0.12 1
430 44 44 ASP H H 8.463 0.015 1
431 44 44 ASP HA H 4.380 0.015 1
432 44 44 ASP HB2 H 2.720 0.015 1
433 44 44 ASP HB3 H 2.665 0.015 1
434 44 44 ASP C C 177.906 0.5 1
435 44 44 ASP CA C 56.204 0.5 1
436 44 44 ASP CB C 40.829 0.5 1
437 44 44 ASP N N 121.638 0.12 1
438 45 45 LEU H H 8.077 0.015 1
439 45 45 LEU HA H 4.155 0.015 1
440 45 45 LEU HB2 H 1.762 0.015 1
441 45 45 LEU HB3 H 1.628 0.015 1
442 45 45 LEU HD1 H 0.926 0.015 2
443 45 45 LEU HD2 H 0.863 0.015 2
444 45 45 LEU HG H 1.663 0.015 1
445 45 45 LEU C C 179.709 0.5 1
446 45 45 LEU CA C 58.126 0.5 1
447 45 45 LEU CB C 41.310 0.5 1
448 45 45 LEU CD1 C 24.974 0.5 1
449 45 45 LEU CD2 C 24.013 0.5 1
450 45 45 LEU CG C 26.896 0.5 1
451 45 45 LEU N N 120.159 0.12 1
452 46 46 THR H H 7.930 0.015 1
453 46 46 THR HA H 3.952 0.015 1
454 46 46 THR HB H 4.275 0.015 1
455 46 46 THR HG2 H 1.225 0.015 1
456 46 46 THR C C 176.344 0.5 1
457 46 46 THR CA C 65.813 0.5 1
458 46 46 THR CB C 68.696 0.5 1
459 46 46 THR CG2 C 23.052 0.5 1
460 46 46 THR N N 116.513 0.12 1
461 47 47 GLN H H 8.182 0.015 1
462 47 47 GLN HA H 3.936 0.015 1
463 47 47 GLN HB2 H 2.133 0.015 1
464 47 47 GLN HB3 H 2.133 0.015 1
465 47 47 GLN HE21 H 7.351 0.015 1
466 47 47 GLN HE22 H 6.775 0.015 1
467 47 47 GLN HG2 H 2.401 0.015 1
468 47 47 GLN HG3 H 2.401 0.015 1
469 47 47 GLN C C 178.652 0.5 1
470 47 47 GLN CA C 59.087 0.5 1
471 47 47 GLN CB C 27.857 0.5 1
472 47 47 GLN CG C 34.103 0.5 1
473 47 47 GLN N N 119.638 0.12 1
474 47 47 GLN NE2 N 112.455 0.12 1
475 48 48 GLN H H 8.028 0.015 1
476 48 48 GLN HA H 4.014 0.015 1
477 48 48 GLN HB2 H 2.178 0.015 1
478 48 48 GLN HB3 H 2.178 0.015 1
479 48 48 GLN HE21 H 7.353 0.015 1
480 48 48 GLN HE22 H 6.775 0.015 1
481 48 48 GLN HG2 H 2.392 0.015 1
482 48 48 GLN HG3 H 2.392 0.015 1
483 48 48 GLN C C 178.564 0.5 1
484 48 48 GLN CA C 59.087 0.5 1
485 48 48 GLN CB C 28.337 0.5 1
486 48 48 GLN CG C 33.622 0.5 1
487 48 48 GLN N N 119.127 0.12 1
488 48 48 GLN NE2 N 112.248 0.12 1
489 49 49 GLU H H 8.048 0.015 1
490 49 49 GLU HA H 4.038 0.015 1
491 49 49 GLU HB2 H 2.189 0.015 1
492 49 49 GLU HB3 H 2.189 0.015 1
493 49 49 GLU HG2 H 2.393 0.015 1
494 49 49 GLU HG3 H 2.393 0.015 1
495 49 49 GLU C C 179.677 0.5 1
496 49 49 GLU CA C 59.567 0.5 1
497 49 49 GLU CB C 29.298 0.5 1
498 49 49 GLU CG C 36.505 0.5 1
499 49 49 GLU N N 121.821 0.12 1
500 50 50 ILE H H 8.254 0.015 1
501 50 50 ILE HA H 3.420 0.015 1
502 50 50 ILE HB H 1.860 0.015 1
503 50 50 ILE HD1 H 0.715 0.015 1
504 50 50 ILE HG12 H 0.692 0.015 1
505 50 50 ILE HG13 H 0.692 0.015 1
506 50 50 ILE HG2 H 0.779 0.015 1
507 50 50 ILE C C 177.210 0.5 1
508 50 50 ILE CA C 66.294 0.5 1
509 50 50 ILE CB C 37.947 0.5 1
510 50 50 ILE CD1 C 13.443 0.5 1
511 50 50 ILE CG1 C 31.701 0.5 1
512 50 50 ILE CG2 C 16.806 0.5 1
513 50 50 ILE N N 120.603 0.12 1
514 51 51 ARG H H 7.923 0.015 1
515 51 51 ARG HA H 4.106 0.015 1
516 51 51 ARG HB2 H 1.941 0.015 1
517 51 51 ARG HB3 H 1.849 0.015 1
518 51 51 ARG HD2 H 3.174 0.015 1
519 51 51 ARG HD3 H 3.174 0.015 1
520 51 51 ARG HG2 H 1.706 0.015 1
521 51 51 ARG HG3 H 1.706 0.015 1
522 51 51 ARG C C 180.280 0.5 1
523 51 51 ARG CA C 59.567 0.5 1
524 51 51 ARG CB C 29.779 0.5 1
525 51 51 ARG CD C 43.712 0.5 1
526 51 51 ARG CG C 27.857 0.5 1
527 51 51 ARG N N 118.440 0.12 1
528 52 52 THR H H 8.177 0.015 1
529 52 52 THR HA H 3.930 0.015 1
530 52 52 THR HB H 4.280 0.015 1
531 52 52 THR HG2 H 1.230 0.015 1
532 52 52 THR C C 176.655 0.5 1
533 52 52 THR CA C 66.294 0.5 1
534 52 52 THR CB C 68.696 0.5 1
535 52 52 THR CG2 C 22.091 0.5 1
536 52 52 THR N N 117.193 0.12 1
537 53 53 LEU H H 7.978 0.015 1
538 53 53 LEU HA H 4.042 0.015 1
539 53 53 LEU HB2 H 1.938 0.015 1
540 53 53 LEU HB3 H 1.472 0.015 1
541 53 53 LEU HD1 H 0.975 0.015 2
542 53 53 LEU HD2 H 0.961 0.015 2
543 53 53 LEU HG H 1.724 0.015 1
544 53 53 LEU C C 178.979 0.5 1
545 53 53 LEU CA C 58.126 0.5 1
546 53 53 LEU CB C 42.751 0.5 1
547 53 53 LEU CD1 C 25.455 0.5 1
548 53 53 LEU CD2 C 24.013 0.5 1
549 53 53 LEU CG C 27.376 0.5 1
550 53 53 LEU N N 124.403 0.12 1
551 54 54 GLU H H 8.802 0.015 1
552 54 54 GLU HA H 3.592 0.015 1
553 54 54 GLU HB2 H 2.126 0.015 1
554 54 54 GLU HB3 H 1.650 0.015 1
555 54 54 GLU HG2 H 2.475 0.015 1
556 54 54 GLU HG3 H 1.868 0.015 1
557 54 54 GLU C C 177.955 0.5 1
558 54 54 GLU CA C 60.528 0.5 1
559 54 54 GLU CB C 29.298 0.5 1
560 54 54 GLU CG C 37.947 0.5 1
561 54 54 GLU N N 118.905 0.12 1
562 55 55 ALA H H 7.625 0.015 1
563 55 55 ALA HA H 4.027 0.015 1
564 55 55 ALA HB H 1.452 0.015 1
565 55 55 ALA C C 181.054 0.5 1
566 55 55 ALA CA C 55.243 0.5 1
567 55 55 ALA CB C 17.767 0.5 1
568 55 55 ALA N N 118.661 0.12 1
569 56 56 LYS H H 7.694 0.015 1
570 56 56 LYS HA H 3.643 0.015 1
571 56 56 LYS HB2 H 1.816 0.015 1
572 56 56 LYS HB3 H 1.657 0.015 1
573 56 56 LYS HD2 H 1.637 0.015 1
574 56 56 LYS HD3 H 1.637 0.015 1
575 56 56 LYS HE2 H 2.894 0.015 1
576 56 56 LYS HE3 H 2.894 0.015 1
577 56 56 LYS HG2 H 1.385 0.015 1
578 56 56 LYS HG3 H 1.155 0.015 1
579 56 56 LYS C C 177.598 0.5 1
580 56 56 LYS CA C 59.567 0.5 1
581 56 56 LYS CB C 32.181 0.5 1
582 56 56 LYS CD C 29.779 0.5 1
583 56 56 LYS CE C 41.790 0.5 1
584 56 56 LYS CG C 24.494 0.5 1
585 56 56 LYS N N 120.498 0.12 1
586 57 57 LEU H H 8.180 0.015 1
587 57 57 LEU HA H 3.893 0.015 1
588 57 57 LEU HB2 H 2.100 0.015 1
589 57 57 LEU HB3 H 1.316 0.015 1
590 57 57 LEU HD1 H 0.803 0.015 2
591 57 57 LEU HD2 H 0.803 0.015 2
592 57 57 LEU HG H 1.230 0.015 1
593 57 57 LEU C C 178.751 0.5 1
594 57 57 LEU CA C 59.087 0.5 1
595 57 57 LEU CB C 42.271 0.5 1
596 57 57 LEU CD1 C 26.896 0.5 1
597 57 57 LEU CD2 C 26.896 0.5 1
598 57 57 LEU CG C 26.896 0.5 1
599 57 57 LEU N N 118.761 0.12 1
600 58 58 VAL H H 8.037 0.015 1
601 58 58 VAL HA H 3.618 0.015 1
602 58 58 VAL HB H 2.138 0.015 1
603 58 58 VAL HG1 H 1.064 0.015 2
604 58 58 VAL HG2 H 1.052 0.015 2
605 58 58 VAL C C 178.343 0.5 1
606 58 58 VAL CA C 67.254 0.5 1
607 58 58 VAL CB C 31.701 0.5 1
608 58 58 VAL CG1 C 24.013 0.5 1
609 58 58 VAL CG2 C 22.091 0.5 1
610 58 58 VAL N N 118.069 0.12 1
611 59 59 LYS H H 7.375 0.015 1
612 59 59 LYS HA H 4.015 0.015 1
613 59 59 LYS HB2 H 1.842 0.015 1
614 59 59 LYS HB3 H 1.842 0.015 1
615 59 59 LYS HD2 H 1.565 0.015 1
616 59 59 LYS HD3 H 1.565 0.015 1
617 59 59 LYS HE2 H 2.914 0.015 1
618 59 59 LYS HE3 H 2.914 0.015 1
619 59 59 LYS HG2 H 1.319 0.015 1
620 59 59 LYS HG3 H 1.319 0.015 1
621 59 59 LYS C C 180.042 0.5 1
622 59 59 LYS CA C 60.048 0.5 1
623 59 59 LYS CB C 31.701 0.5 1
624 59 59 LYS CD C 29.298 0.5 1
625 59 59 LYS CE C 44.673 0.5 1
626 59 59 LYS CG C 24.974 0.5 1
627 59 59 LYS N N 120.354 0.12 1
628 60 60 TYR H H 8.201 0.015 1
629 60 60 TYR HA H 4.555 0.015 1
630 60 60 TYR HB2 H 3.235 0.015 1
631 60 60 TYR HB3 H 3.063 0.015 1
632 60 60 TYR HD1 H 6.850 0.015 1
633 60 60 TYR HD2 H 6.850 0.015 1
634 60 60 TYR HE1 H 6.648 0.015 1
635 60 60 TYR HE2 H 6.648 0.015 1
636 60 60 TYR C C 179.224 0.5 1
637 60 60 TYR CA C 58.606 0.5 1
638 60 60 TYR CB C 37.947 0.5 1
639 60 60 TYR N N 118.762 0.12 1
640 61 61 ILE H H 8.522 0.015 1
641 61 61 ILE HA H 4.242 0.015 1
642 61 61 ILE HB H 2.407 0.015 1
643 61 61 ILE HD1 H 1.188 0.015 1
644 61 61 ILE HG12 H 1.897 0.015 1
645 61 61 ILE HG13 H 1.897 0.015 1
646 61 61 ILE HG2 H 1.210 0.015 1
647 61 61 ILE C C 179.310 0.5 1
648 61 61 ILE CA C 64.372 0.5 1
649 61 61 ILE CB C 37.466 0.5 1
650 61 61 ILE CD1 C 13.443 0.5 1
651 61 61 ILE CG1 C 28.337 0.5 1
652 61 61 ILE CG2 C 17.767 0.5 1
653 61 61 ILE N N 118.698 0.12 1
654 62 62 CYS H H 8.534 0.015 1
655 62 62 CYS HA H 4.125 0.015 1
656 62 62 CYS HB2 H 3.272 0.015 1
657 62 62 CYS HB3 H 2.858 0.015 1
658 62 62 CYS C C 177.238 0.5 1
659 62 62 CYS CA C 64.852 0.5 1
660 62 62 CYS CB C 26.416 0.5 1
661 62 62 CYS N N 119.090 0.12 1
662 63 63 LYS H H 8.250 0.015 1
663 63 63 LYS HA H 4.206 0.015 1
664 63 63 LYS HB2 H 2.148 0.015 1
665 63 63 LYS HB3 H 1.993 0.015 1
666 63 63 LYS HD2 H 1.722 0.015 1
667 63 63 LYS HD3 H 1.722 0.015 1
668 63 63 LYS HE2 H 2.971 0.015 1
669 63 63 LYS HE3 H 2.971 0.015 1
670 63 63 LYS HG2 H 1.716 0.015 1
671 63 63 LYS HG3 H 1.557 0.015 1
672 63 63 LYS C C 180.162 0.5 1
673 63 63 LYS CA C 59.087 0.5 1
674 63 63 LYS CB C 32.181 0.5 1
675 63 63 LYS CD C 25.935 0.5 1
676 63 63 LYS CE C 41.790 0.5 1
677 63 63 LYS CG C 25.455 0.5 1
678 63 63 LYS N N 120.598 0.12 1
679 64 64 GLN H H 8.217 0.015 1
680 64 64 GLN HA H 4.012 0.015 1
681 64 64 GLN HB2 H 1.715 0.015 1
682 64 64 GLN HB3 H 1.715 0.015 1
683 64 64 GLN HE21 H 7.481 0.015 1
684 64 64 GLN HE22 H 6.567 0.015 1
685 64 64 GLN HG2 H 2.798 0.015 1
686 64 64 GLN HG3 H 1.919 0.015 1
687 64 64 GLN C C 177.397 0.5 1
688 64 64 GLN CA C 59.567 0.5 1
689 64 64 GLN CB C 29.779 0.5 1
690 64 64 GLN CG C 36.986 0.5 1
691 64 64 GLN N N 122.039 0.12 1
692 64 64 GLN NE2 N 110.254 0.12 1
693 65 65 GLN H H 8.061 0.015 1
694 65 65 GLN HA H 4.102 0.015 1
695 65 65 GLN HB2 H 2.230 0.015 1
696 65 65 GLN HB3 H 2.230 0.015 1
697 65 65 GLN HE21 H 7.202 0.015 1
698 65 65 GLN HE22 H 6.815 0.015 1
699 65 65 GLN HG2 H 2.461 0.015 1
700 65 65 GLN HG3 H 2.461 0.015 1
701 65 65 GLN C C 177.266 0.5 1
702 65 65 GLN CA C 59.567 0.5 1
703 65 65 GLN CB C 26.896 0.5 1
704 65 65 GLN CG C 29.779 0.5 1
705 65 65 GLN N N 119.690 0.12 1
706 65 65 GLN NE2 N 106.451 0.12 1
707 66 66 GLN H H 8.372 0.015 1
708 66 66 GLN HA H 3.635 0.015 1
709 66 66 GLN HB2 H 2.191 0.015 1
710 66 66 GLN HB3 H 2.088 0.015 1
711 66 66 GLN HE21 H 7.532 0.015 1
712 66 66 GLN HE22 H 6.731 0.015 1
713 66 66 GLN HG2 H 2.600 0.015 1
714 66 66 GLN HG3 H 2.296 0.015 1
715 66 66 GLN C C 177.978 0.5 1
716 66 66 GLN CA C 59.567 0.5 1
717 66 66 GLN CB C 29.298 0.5 1
718 66 66 GLN CG C 33.622 0.5 1
719 66 66 GLN N N 118.455 0.12 1
720 66 66 GLN NE2 N 112.041 0.12 1
721 67 67 SER H H 7.869 0.015 1
722 67 67 SER HA H 4.090 0.015 1
723 67 67 SER HB2 H 3.985 0.015 1
724 67 67 SER HB3 H 3.829 0.015 1
725 67 67 SER C C 177.662 0.5 1
726 67 67 SER CA C 62.450 0.5 1
727 67 67 SER CB C 63.411 0.5 1
728 67 67 SER N N 114.639 0.12 1
729 68 68 LYS H H 8.036 0.015 1
730 68 68 LYS HA H 3.773 0.015 1
731 68 68 LYS HB2 H 1.579 0.015 1
732 68 68 LYS HB3 H 1.579 0.015 1
733 68 68 LYS HD2 H 2.184 0.015 1
734 68 68 LYS HD3 H 2.184 0.015 1
735 68 68 LYS HE2 H 2.789 0.015 1
736 68 68 LYS HE3 H 2.789 0.015 1
737 68 68 LYS HG2 H 1.415 0.015 1
738 68 68 LYS HG3 H 0.990 0.015 1
739 68 68 LYS C C 176.821 0.5 1
740 68 68 LYS CA C 60.048 0.5 1
741 68 68 LYS CB C 31.220 0.5 1
742 68 68 LYS CD C 28.818 0.5 1
743 68 68 LYS CE C 41.790 0.5 1
744 68 68 LYS CG C 24.494 0.5 1
745 68 68 LYS N N 122.875 0.12 1
746 69 69 LEU H H 7.905 0.015 1
747 69 69 LEU HA H 4.165 0.015 1
748 69 69 LEU HB2 H 1.681 0.015 1
749 69 69 LEU HB3 H 1.502 0.015 1
750 69 69 LEU HD1 H 0.906 0.015 2
751 69 69 LEU HD2 H 0.864 0.015 2
752 69 69 LEU HG H 1.625 0.015 1
753 69 69 LEU C C 178.078 0.5 1
754 69 69 LEU CA C 55.724 0.5 1
755 69 69 LEU CB C 41.310 0.5 1
756 69 69 LEU CD1 C 24.013 0.5 1
757 69 69 LEU CD2 C 23.052 0.5 1
758 69 69 LEU CG C 25.935 0.5 1
759 69 69 LEU N N 114.264 0.12 1
760 70 70 SER H H 7.626 0.015 1
761 70 70 SER HA H 4.264 0.015 1
762 70 70 SER HB2 H 4.035 0.015 1
763 70 70 SER HB3 H 4.035 0.015 1
764 70 70 SER C C 173.637 0.5 1
765 70 70 SER CA C 60.048 0.5 1
766 70 70 SER CB C 63.411 0.5 1
767 70 70 SER N N 114.427 0.12 1
768 71 71 VAL H H 7.527 0.015 1
769 71 71 VAL HA H 4.132 0.015 1
770 71 71 VAL HB H 2.016 0.015 1
771 71 71 VAL HG1 H 0.817 0.015 2
772 71 71 VAL HG2 H 0.938 0.015 2
773 71 71 VAL C C 175.182 0.5 1
774 71 71 VAL CA C 60.528 0.5 1
775 71 71 VAL CB C 33.142 0.5 1
776 71 71 VAL CG1 C 23.052 0.5 1
777 71 71 VAL CG2 C 22.091 0.5 1
778 71 71 VAL N N 124.679 0.12 1
779 72 72 THR H H 8.820 0.015 1
780 72 72 THR HA H 4.424 0.015 1
781 72 72 THR HB H 4.226 0.015 1
782 72 72 THR HG2 H 1.290 0.015 1
783 72 72 THR C C 174.400 0.5 1
784 72 72 THR CA C 61.489 0.5 1
785 72 72 THR CB C 69.657 0.5 1
786 72 72 THR CG2 C 21.131 0.5 1
787 72 72 THR N N 125.726 0.12 1
788 73 73 PRO HA H 3.746 0.015 1
789 73 73 PRO HB2 H 2.324 0.015 1
790 73 73 PRO HB3 H 2.324 0.015 1
791 73 73 PRO HD2 H 3.829 0.015 1
792 73 73 PRO HD3 H 3.829 0.015 1
793 73 73 PRO HG2 H 2.022 0.015 1
794 73 73 PRO HG3 H 2.022 0.015 1
795 73 73 PRO C C 179.134 0.5 1
796 73 73 PRO CA C 67.254 0.5 1
797 73 73 PRO CB C 32.181 0.5 1
798 73 73 PRO CD C 50.919 0.5 1
799 73 73 PRO CG C 27.376 0.5 1
800 74 74 SER H H 8.222 0.015 1
801 74 74 SER HA H 4.143 0.015 1
802 74 74 SER HB2 H 3.829 0.015 1
803 74 74 SER HB3 H 3.829 0.015 1
804 74 74 SER C C 174.922 0.5 1
805 74 74 SER CA C 60.528 0.5 1
806 74 74 SER CB C 62.450 0.5 1
807 74 74 SER N N 110.111 0.12 1
808 75 75 ASP H H 7.882 0.015 1
809 75 75 ASP HA H 4.751 0.015 1
810 75 75 ASP HB2 H 2.660 0.015 1
811 75 75 ASP HB3 H 2.542 0.015 1
812 75 75 ASP C C 176.277 0.5 1
813 75 75 ASP CA C 53.802 0.5 1
814 75 75 ASP CB C 41.790 0.5 1
815 75 75 ASP N N 119.963 0.12 1
816 76 76 ARG H H 7.228 0.015 1
817 76 76 ARG HA H 3.805 0.015 1
818 76 76 ARG HB2 H 2.010 0.015 1
819 76 76 ARG HB3 H 1.741 0.015 1
820 76 76 ARG HD2 H 3.162 0.015 1
821 76 76 ARG HD3 H 3.162 0.015 1
822 76 76 ARG HG2 H 1.314 0.015 1
823 76 76 ARG HG3 H 1.314 0.015 1
824 76 76 ARG C C 175.616 0.5 1
825 76 76 ARG CA C 58.606 0.5 1
826 76 76 ARG CB C 30.740 0.5 1
827 76 76 ARG CD C 44.673 0.5 1
828 76 76 ARG CG C 28.818 0.5 1
829 76 76 ARG N N 117.980 0.12 1
830 77 77 THR H H 6.207 0.015 1
831 77 77 THR HA H 4.566 0.015 1
832 77 77 THR HB H 4.727 0.015 1
833 77 77 THR HG2 H 1.317 0.015 1
834 77 77 THR C C 174.585 0.5 1
835 77 77 THR CA C 58.606 0.5 1
836 77 77 THR CB C 71.098 0.5 1
837 77 77 THR CG2 C 23.052 0.5 1
838 77 77 THR N N 110.237 0.12 1
839 78 78 ALA H H 8.921 0.015 1
840 78 78 ALA HA H 4.088 0.015 1
841 78 78 ALA HB H 1.410 0.015 1
842 78 78 ALA C C 180.641 0.5 1
843 78 78 ALA CA C 55.724 0.5 1
844 78 78 ALA CB C 17.767 0.5 1
845 78 78 ALA N N 123.795 0.12 1
846 79 79 GLU H H 8.335 0.015 1
847 79 79 GLU HA H 3.907 0.015 1
848 79 79 GLU HB2 H 2.016 0.015 1
849 79 79 GLU HB3 H 1.846 0.015 1
850 79 79 GLU HG2 H 2.269 0.015 1
851 79 79 GLU HG3 H 2.269 0.015 1
852 79 79 GLU C C 179.614 0.5 1
853 79 79 GLU CA C 59.567 0.5 1
854 79 79 GLU CB C 29.298 0.5 1
855 79 79 GLU CG C 36.505 0.5 1
856 79 79 GLU N N 116.620 0.12 1
857 80 80 LEU H H 7.369 0.015 1
858 80 80 LEU HA H 4.291 0.015 1
859 80 80 LEU HB2 H 1.865 0.015 1
860 80 80 LEU HB3 H 1.405 0.015 1
861 80 80 LEU HD1 H 0.978 0.015 2
862 80 80 LEU HD2 H 0.978 0.015 2
863 80 80 LEU HG H 1.076 0.015 1
864 80 80 LEU C C 176.593 0.5 1
865 80 80 LEU CA C 58.126 0.5 1
866 80 80 LEU CB C 41.790 0.5 1
867 80 80 LEU CD1 C 23.533 0.5 1
868 80 80 LEU CD2 C 23.533 0.5 1
869 80 80 LEU CG C 27.376 0.5 1
870 80 80 LEU N N 121.424 0.12 1
871 81 81 ASN H H 8.187 0.015 1
872 81 81 ASN HA H 4.689 0.015 1
873 81 81 ASN HB2 H 2.843 0.015 1
874 81 81 ASN HB3 H 2.681 0.015 1
875 81 81 ASN HD21 H 7.024 0.015 1
876 81 81 ASN HD22 H 6.467 0.015 1
877 81 81 ASN C C 176.080 0.5 1
878 81 81 ASN CA C 54.282 0.5 1
879 81 81 ASN CB C 38.427 0.5 1
880 81 81 ASN N N 113.083 0.12 1
881 81 81 ASN ND2 N 108.935 0.12 1
882 82 82 SER H H 7.333 0.015 1
883 82 82 SER HA H 4.214 0.015 1
884 82 82 SER HB2 H 3.783 0.015 1
885 82 82 SER HB3 H 3.783 0.015 1
886 82 82 SER C C 172.129 0.5 1
887 82 82 SER CA C 60.048 0.5 1
888 82 82 SER CB C 63.411 0.5 1
889 82 82 SER N N 115.154 0.12 1
890 83 83 TYR H H 7.579 0.015 1
891 83 83 TYR HA H 4.611 0.015 1
892 83 83 TYR HB2 H 2.991 0.015 1
893 83 83 TYR HB3 H 2.581 0.015 1
894 83 83 TYR HD1 H 7.277 0.015 1
895 83 83 TYR HD2 H 7.277 0.015 1
896 83 83 TYR HE1 H 6.620 0.015 1
897 83 83 TYR HE2 H 6.620 0.015 1
898 83 83 TYR C C 175.100 0.5 1
899 83 83 TYR CA C 55.724 0.5 1
900 83 83 TYR CB C 40.829 0.5 1
901 83 83 TYR N N 119.279 0.12 1
902 84 84 PRO HA H 4.922 0.015 1
903 84 84 PRO HB2 H 3.068 0.015 1
904 84 84 PRO HB3 H 1.981 0.015 1
905 84 84 PRO HD2 H 3.573 0.015 1
906 84 84 PRO HD3 H 3.444 0.015 1
907 84 84 PRO HG2 H 2.129 0.015 1
908 84 84 PRO HG3 H 1.749 0.015 1
909 84 84 PRO C C 175.984 0.5 1
910 84 84 PRO CA C 61.969 0.5 1
911 84 84 PRO CB C 34.583 0.5 1
912 84 84 PRO CD C 50.438 0.5 1
913 84 84 PRO CG C 25.935 0.5 1
914 85 85 ARG H H 10.709 0.015 1
915 85 85 ARG HA H 4.488 0.015 1
916 85 85 ARG HB2 H 2.280 0.015 1
917 85 85 ARG HB3 H 1.836 0.015 1
918 85 85 ARG HD2 H 3.228 0.015 1
919 85 85 ARG HD3 H 3.228 0.015 1
920 85 85 ARG HG2 H 1.890 0.015 1
921 85 85 ARG HG3 H 1.745 0.015 1
922 85 85 ARG C C 178.273 0.5 1
923 85 85 ARG CA C 56.684 0.5 1
924 85 85 ARG CB C 29.779 0.5 1
925 85 85 ARG CD C 43.712 0.5 1
926 85 85 ARG CG C 28.337 0.5 1
927 85 85 ARG N N 123.378 0.12 1
928 86 86 PHE H H 8.891 0.015 1
929 86 86 PHE HA H 4.474 0.015 1
930 86 86 PHE HB2 H 3.385 0.015 1
931 86 86 PHE HB3 H 3.297 0.015 1
932 86 86 PHE HD1 H 7.250 0.015 1
933 86 86 PHE HD2 H 7.250 0.015 1
934 86 86 PHE HE1 H 7.101 0.015 1
935 86 86 PHE HE2 H 7.101 0.015 1
936 86 86 PHE HZ H 7.003 0.015 1
937 86 86 PHE C C 177.674 0.5 1
938 86 86 PHE CA C 59.087 0.5 1
939 86 86 PHE CB C 38.907 0.5 1
940 86 86 PHE N N 127.905 0.12 1
941 87 87 SER H H 8.865 0.015 1
942 87 87 SER HA H 3.864 0.015 1
943 87 87 SER HB2 H 3.905 0.015 1
944 87 87 SER HB3 H 3.905 0.015 1
945 87 87 SER C C 177.331 0.5 1
946 87 87 SER CA C 61.969 0.5 1
947 87 87 SER CB C 60.528 0.5 1
948 87 87 SER N N 110.593 0.12 1
949 88 88 ASP H H 6.743 0.015 1
950 88 88 ASP HA H 4.545 0.015 1
951 88 88 ASP HB2 H 2.518 0.015 1
952 88 88 ASP HB3 H 2.518 0.015 1
953 88 88 ASP C C 176.986 0.5 1
954 88 88 ASP CA C 57.645 0.5 1
955 88 88 ASP CB C 40.349 0.5 1
956 88 88 ASP N N 122.349 0.12 1
957 89 89 TRP H H 8.062 0.015 1
958 89 89 TRP HA H 4.106 0.015 1
959 89 89 TRP HB2 H 3.788 0.015 1
960 89 89 TRP HB3 H 3.180 0.015 1
961 89 89 TRP HD1 H 7.282 0.015 1
962 89 89 TRP HE1 H 9.950 0.015 1
963 89 89 TRP HE3 H 7.446 0.015 1
964 89 89 TRP HH2 H 6.790 0.015 1
965 89 89 TRP HZ2 H 6.963 0.015 1
966 89 89 TRP HZ3 H 6.854 0.015 1
967 89 89 TRP C C 177.122 0.5 1
968 89 89 TRP CA C 62.930 0.5 1
969 89 89 TRP CB C 29.779 0.5 1
970 89 89 TRP N N 121.188 0.12 1
971 89 89 TRP NE1 N 126.741 0.12 1
972 90 90 LEU H H 8.685 0.015 1
973 90 90 LEU HA H 3.658 0.015 1
974 90 90 LEU HB2 H 1.760 0.015 1
975 90 90 LEU HB3 H 1.164 0.015 1
976 90 90 LEU HD1 H 0.359 0.015 2
977 90 90 LEU HD2 H 0.771 0.015 2
978 90 90 LEU HG H 1.760 0.015 1
979 90 90 LEU C C 178.842 0.5 1
980 90 90 LEU CA C 57.645 0.5 1
981 90 90 LEU CB C 42.271 0.5 1
982 90 90 LEU CD1 C 25.455 0.5 1
983 90 90 LEU CD2 C 23.533 0.5 1
984 90 90 LEU CG C 26.896 0.5 1
985 90 90 LEU N N 115.380 0.12 1
986 91 91 TYR H H 7.490 0.015 1
987 91 91 TYR HA H 4.247 0.015 1
988 91 91 TYR HB2 H 3.270 0.015 1
989 91 91 TYR HB3 H 2.982 0.015 1
990 91 91 TYR HD1 H 7.002 0.015 1
991 91 91 TYR HD2 H 7.002 0.015 1
992 91 91 TYR HE1 H 6.621 0.015 1
993 91 91 TYR HE2 H 6.621 0.015 1
994 91 91 TYR C C 180.297 0.5 1
995 91 91 TYR CA C 62.450 0.5 1
996 91 91 TYR CB C 38.427 0.5 1
997 91 91 TYR N N 117.412 0.12 1
998 92 92 ILE H H 8.533 0.015 1
999 92 92 ILE HA H 2.895 0.015 1
1000 92 92 ILE HB H 1.356 0.015 1
1001 92 92 ILE HD1 H 0.818 0.015 1
1002 92 92 ILE HG12 H 1.971 0.015 1
1003 92 92 ILE HG13 H 0.732 0.015 1
1004 92 92 ILE HG2 H -0.036 0.015 1
1005 92 92 ILE C C 176.687 0.5 1
1006 92 92 ILE CA C 66.774 0.5 1
1007 92 92 ILE CB C 37.466 0.5 1
1008 92 92 ILE CD1 C 15.365 0.5 1
1009 92 92 ILE CG1 C 29.298 0.5 1
1010 92 92 ILE CG2 C 16.806 0.5 1
1011 92 92 ILE N N 123.624 0.12 1
1012 93 93 PHE H H 6.894 0.015 1
1013 93 93 PHE HA H 3.995 0.015 1
1014 93 93 PHE HB2 H 2.884 0.015 1
1015 93 93 PHE HB3 H 1.875 0.015 1
1016 93 93 PHE HD1 H 6.514 0.015 1
1017 93 93 PHE HD2 H 6.514 0.015 1
1018 93 93 PHE HE1 H 6.628 0.015 1
1019 93 93 PHE HE2 H 6.628 0.015 1
1020 93 93 PHE HZ H 7.005 0.015 1
1021 93 93 PHE C C 173.818 0.5 1
1022 93 93 PHE CA C 60.048 0.5 1
1023 93 93 PHE CB C 37.466 0.5 1
1024 93 93 PHE N N 113.137 0.12 1
1025 94 94 ASN H H 7.608 0.015 1
1026 94 94 ASN HA H 4.032 0.015 1
1027 94 94 ASN HB2 H 3.164 0.015 1
1028 94 94 ASN HB3 H 2.029 0.015 1
1029 94 94 ASN HD21 H 7.344 0.015 1
1030 94 94 ASN HD22 H 6.660 0.015 1
1031 94 94 ASN C C 174.037 0.5 1
1032 94 94 ASN CA C 52.841 0.5 1
1033 94 94 ASN CB C 36.986 0.5 1
1034 94 94 ASN N N 117.721 0.12 1
1035 94 94 ASN ND2 N 109.556 0.12 1
1036 95 95 VAL H H 7.715 0.015 1
1037 95 95 VAL HA H 3.776 0.015 1
1038 95 95 VAL HB H 1.596 0.015 1
1039 95 95 VAL HG1 H 0.868 0.015 2
1040 95 95 VAL HG2 H 0.922 0.015 2
1041 95 95 VAL C C 176.123 0.5 1
1042 95 95 VAL CA C 62.930 0.5 1
1043 95 95 VAL CB C 31.220 0.5 1
1044 95 95 VAL CG1 C 23.533 0.5 1
1045 95 95 VAL CG2 C 21.611 0.5 1
1046 95 95 VAL N N 119.605 0.12 1
1047 96 96 ARG H H 8.132 0.015 1
1048 96 96 ARG HA H 4.353 0.015 1
1049 96 96 ARG HB2 H 2.157 0.015 1
1050 96 96 ARG HB3 H 1.725 0.015 1
1051 96 96 ARG HD2 H 3.322 0.015 1
1052 96 96 ARG HD3 H 3.322 0.015 1
1053 96 96 ARG HG2 H 1.878 0.015 1
1054 96 96 ARG HG3 H 1.878 0.015 1
1055 96 96 ARG C C 176.100 0.5 1
1056 96 96 ARG CA C 55.724 0.5 1
1057 96 96 ARG CB C 29.298 0.5 1
1058 96 96 ARG CD C 42.751 0.5 1
1059 96 96 ARG CG C 28.337 0.5 1
1060 96 96 ARG N N 127.727 0.12 1
1061 97 97 PRO HA H 4.148 0.015 1
1062 97 97 PRO HB2 H 2.341 0.015 1
1063 97 97 PRO HB3 H 1.938 0.015 1
1064 97 97 PRO HD2 H 3.853 0.015 1
1065 97 97 PRO HD3 H 3.853 0.015 1
1066 97 97 PRO HG2 H 2.178 0.015 1
1067 97 97 PRO HG3 H 2.092 0.015 1
1068 97 97 PRO C C 178.368 0.5 1
1069 97 97 PRO CA C 65.813 0.5 1
1070 97 97 PRO CB C 31.701 0.5 1
1071 97 97 PRO CD C 50.919 0.5 1
1072 97 97 PRO CG C 27.857 0.5 1
1073 98 98 GLU H H 9.689 0.015 1
1074 98 98 GLU HA H 4.035 0.015 1
1075 98 98 GLU HB2 H 1.950 0.015 1
1076 98 98 GLU HB3 H 1.950 0.015 1
1077 98 98 GLU HG2 H 2.319 0.015 1
1078 98 98 GLU HG3 H 2.319 0.015 1
1079 98 98 GLU C C 178.333 0.5 1
1080 98 98 GLU CA C 60.048 0.5 1
1081 98 98 GLU CB C 28.337 0.5 1
1082 98 98 GLU CG C 36.505 0.5 1
1083 98 98 GLU N N 116.768 0.12 1
1084 99 99 VAL H H 7.370 0.015 1
1085 99 99 VAL HA H 4.031 0.015 1
1086 99 99 VAL HB H 2.149 0.015 1
1087 99 99 VAL HG1 H 0.893 0.015 2
1088 99 99 VAL HG2 H 0.780 0.015 2
1089 99 99 VAL C C 177.356 0.5 1
1090 99 99 VAL CA C 64.372 0.5 1
1091 99 99 VAL CB C 31.701 0.5 1
1092 99 99 VAL CG1 C 22.091 0.5 1
1093 99 99 VAL CG2 C 20.170 0.5 1
1094 99 99 VAL N N 120.781 0.12 1
1095 100 100 VAL H H 7.380 0.015 1
1096 100 100 VAL HA H 3.181 0.015 1
1097 100 100 VAL HB H 2.029 0.015 1
1098 100 100 VAL HG1 H 0.824 0.015 2
1099 100 100 VAL HG2 H 0.769 0.015 2
1100 100 100 VAL C C 178.667 0.5 1
1101 100 100 VAL CA C 66.294 0.5 1
1102 100 100 VAL CB C 31.220 0.5 1
1103 100 100 VAL CG1 C 23.052 0.5 1
1104 100 100 VAL CG2 C 21.131 0.5 1
1105 100 100 VAL N N 118.222 0.12 1
1106 101 101 GLN H H 7.793 0.015 1
1107 101 101 GLN HA H 3.969 0.015 1
1108 101 101 GLN HB2 H 2.032 0.015 1
1109 101 101 GLN HB3 H 2.032 0.015 1
1110 101 101 GLN HE21 H 7.481 0.015 1
1111 101 101 GLN HE22 H 6.695 0.015 1
1112 101 101 GLN HG2 H 2.391 0.015 1
1113 101 101 GLN HG3 H 2.391 0.015 1
1114 101 101 GLN C C 176.498 0.5 1
1115 101 101 GLN CA C 57.645 0.5 1
1116 101 101 GLN CB C 28.337 0.5 1
1117 101 101 GLN CG C 33.622 0.5 1
1118 101 101 GLN N N 114.759 0.12 1
1119 101 101 GLN NE2 N 112.455 0.12 1
1120 102 102 GLU H H 7.278 0.015 1
1121 102 102 GLU HA H 4.116 0.015 1
1122 102 102 GLU HB2 H 2.325 0.015 1
1123 102 102 GLU HB3 H 2.078 0.015 1
1124 102 102 GLU HG2 H 2.568 0.015 1
1125 102 102 GLU HG3 H 2.375 0.015 1
1126 102 102 GLU C C 176.038 0.5 1
1127 102 102 GLU CA C 55.724 0.5 1
1128 102 102 GLU CB C 30.259 0.5 1
1129 102 102 GLU CG C 35.544 0.5 1
1130 102 102 GLU N N 117.022 0.12 1
1131 103 103 ILE H H 6.881 0.015 1
1132 103 103 ILE HA H 2.727 0.015 1
1133 103 103 ILE HB H 1.349 0.015 1
1134 103 103 ILE HD1 H 0.330 0.015 1
1135 103 103 ILE HG12 H 1.306 0.015 1
1136 103 103 ILE HG13 H -0.634 0.015 1
1137 103 103 ILE HG2 H 0.373 0.015 1
1138 103 103 ILE C C 174.964 0.5 1
1139 103 103 ILE CA C 60.048 0.5 1
1140 103 103 ILE CB C 37.466 0.5 1
1141 103 103 ILE CD1 C 13.924 0.5 1
1142 103 103 ILE CG1 C 25.935 0.5 1
1143 103 103 ILE CG2 C 16.326 0.5 1
1144 103 103 ILE N N 121.605 0.12 1
1145 104 104 PRO HA H 4.267 0.015 1
1146 104 104 PRO HB2 H 2.414 0.015 1
1147 104 104 PRO HB3 H 1.831 0.015 1
1148 104 104 PRO HD2 H 3.807 0.015 1
1149 104 104 PRO HD3 H 3.180 0.015 1
1150 104 104 PRO HG2 H 2.154 0.015 1
1151 104 104 PRO HG3 H 2.046 0.015 1
1152 104 104 PRO C C 178.180 0.5 1
1153 104 104 PRO CA C 62.930 0.5 1
1154 104 104 PRO CB C 32.181 0.5 1
1155 104 104 PRO CD C 50.919 0.5 1
1156 104 104 PRO CG C 27.857 0.5 1
1157 105 105 GLN H H 8.671 0.015 1
1158 105 105 GLN HA H 3.924 0.015 1
1159 105 105 GLN HB2 H 2.016 0.015 1
1160 105 105 GLN HB3 H 2.016 0.015 1
1161 105 105 GLN HE21 H 7.436 0.015 1
1162 105 105 GLN HE22 H 6.704 0.015 1
1163 105 105 GLN HG2 H 2.379 0.015 1
1164 105 105 GLN HG3 H 2.379 0.015 1
1165 105 105 GLN C C 176.850 0.5 1
1166 105 105 GLN CA C 58.126 0.5 1
1167 105 105 GLN CB C 28.337 0.5 1
1168 105 105 GLN CG C 34.103 0.5 1
1169 105 105 GLN N N 123.348 0.12 1
1170 105 105 GLN NE2 N 111.627 0.12 1
1171 106 106 GLU H H 8.857 0.015 1
1172 106 106 GLU HA H 4.137 0.015 1
1173 106 106 GLU HB2 H 1.968 0.015 1
1174 106 106 GLU HB3 H 1.968 0.015 1
1175 106 106 GLU HG2 H 2.194 0.015 1
1176 106 106 GLU HG3 H 2.194 0.015 1
1177 106 106 GLU C C 176.769 0.5 1
1178 106 106 GLU CA C 57.165 0.5 1
1179 106 106 GLU CB C 28.818 0.5 1
1180 106 106 GLU CG C 36.025 0.5 1
1181 106 106 GLU N N 115.169 0.12 1
1182 107 107 LEU H H 7.286 0.015 1
1183 107 107 LEU HA H 4.156 0.015 1
1184 107 107 LEU HB2 H 1.637 0.015 1
1185 107 107 LEU HB3 H 1.361 0.015 1
1186 107 107 LEU HD1 H 0.986 0.015 2
1187 107 107 LEU HD2 H 0.924 0.015 2
1188 107 107 LEU HG H 1.637 0.015 1
1189 107 107 LEU C C 175.472 0.5 1
1190 107 107 LEU CA C 55.724 0.5 1
1191 107 107 LEU CB C 42.271 0.5 1
1192 107 107 LEU CD1 C 26.416 0.5 1
1193 107 107 LEU CD2 C 24.494 0.5 1
1194 107 107 LEU CG C 27.376 0.5 1
1195 107 107 LEU N N 123.212 0.12 1
1196 108 108 THR H H 6.969 0.015 1
1197 108 108 THR HA H 4.476 0.015 1
1198 108 108 THR HB H 4.597 0.015 1
1199 108 108 THR HG2 H 1.167 0.015 1
1200 108 108 THR C C 174.232 0.5 1
1201 108 108 THR CA C 58.606 0.5 1
1202 108 108 THR CB C 71.098 0.5 1
1203 108 108 THR CG2 C 21.131 0.5 1
1204 108 108 THR N N 113.951 0.12 1
1205 109 109 LEU H H 8.255 0.015 1
1206 109 109 LEU HA H 3.346 0.015 1
1207 109 109 LEU HB2 H 1.401 0.015 1
1208 109 109 LEU HB3 H 0.911 0.015 1
1209 109 109 LEU HD1 H 0.117 0.015 2
1210 109 109 LEU HD2 H -0.115 0.015 2
1211 109 109 LEU HG H 1.015 0.015 1
1212 109 109 LEU C C 178.283 0.5 1
1213 109 109 LEU CA C 57.165 0.5 1
1214 109 109 LEU CB C 40.829 0.5 1
1215 109 109 LEU CD1 C 24.494 0.5 1
1216 109 109 LEU CD2 C 22.091 0.5 1
1217 109 109 LEU CG C 26.896 0.5 1
1218 109 109 LEU N N 121.886 0.12 1
1219 110 110 ASP H H 8.141 0.015 1
1220 110 110 ASP HA H 4.122 0.015 1
1221 110 110 ASP HB2 H 2.465 0.015 1
1222 110 110 ASP HB3 H 2.431 0.015 1
1223 110 110 ASP C C 177.738 0.5 1
1224 110 110 ASP CA C 57.645 0.5 1
1225 110 110 ASP CB C 41.310 0.5 1
1226 110 110 ASP N N 116.662 0.12 1
1227 111 111 ALA H H 7.625 0.015 1
1228 111 111 ALA HA H 3.991 0.015 1
1229 111 111 ALA HB H 1.398 0.015 1
1230 111 111 ALA C C 180.935 0.5 1
1231 111 111 ALA CA C 54.763 0.5 1
1232 111 111 ALA CB C 18.728 0.5 1
1233 111 111 ALA N N 120.649 0.12 1
1234 112 112 LEU H H 7.522 0.015 1
1235 112 112 LEU HA H 4.141 0.015 1
1236 112 112 LEU HB2 H 1.727 0.015 1
1237 112 112 LEU HB3 H 1.413 0.015 1
1238 112 112 LEU HD1 H 0.995 0.015 2
1239 112 112 LEU HD2 H 0.995 0.015 2
1240 112 112 LEU HG H 0.946 0.015 1
1241 112 112 LEU C C 178.784 0.5 1
1242 112 112 LEU CA C 57.645 0.5 1
1243 112 112 LEU CB C 42.271 0.5 1
1244 112 112 LEU CD1 C 23.533 0.5 1
1245 112 112 LEU CD2 C 23.533 0.5 1
1246 112 112 LEU CG C 25.935 0.5 1
1247 112 112 LEU N N 119.518 0.12 1
1248 113 113 LEU H H 8.352 0.015 1
1249 113 113 LEU HA H 3.803 0.015 1
1250 113 113 LEU HB2 H 1.844 0.015 1
1251 113 113 LEU HB3 H 1.431 0.015 1
1252 113 113 LEU HD1 H 0.660 0.015 2
1253 113 113 LEU HD2 H 0.660 0.015 2
1254 113 113 LEU HG H 1.513 0.015 1
1255 113 113 LEU C C 178.180 0.5 1
1256 113 113 LEU CA C 57.645 0.5 1
1257 113 113 LEU CB C 42.271 0.5 1
1258 113 113 LEU CD1 C 25.455 0.5 1
1259 113 113 LEU CD2 C 25.455 0.5 1
1260 113 113 LEU CG C 26.416 0.5 1
1261 113 113 LEU N N 119.065 0.12 1
1262 114 114 GLU H H 7.329 0.015 1
1263 114 114 GLU HA H 4.101 0.015 1
1264 114 114 GLU HB2 H 2.035 0.015 1
1265 114 114 GLU HB3 H 1.929 0.015 1
1266 114 114 GLU HG2 H 2.282 0.015 1
1267 114 114 GLU HG3 H 2.282 0.015 1
1268 114 114 GLU C C 176.836 0.5 1
1269 114 114 GLU CA C 56.684 0.5 1
1270 114 114 GLU CB C 30.259 0.5 1
1271 114 114 GLU CG C 36.025 0.5 1
1272 114 114 GLU N N 115.154 0.12 1
1273 115 115 MET H H 7.028 0.015 1
1274 115 115 MET HA H 4.142 0.015 1
1275 115 115 MET HB2 H 2.148 0.015 1
1276 115 115 MET HB3 H 1.918 0.015 1
1277 115 115 MET HE H 1.976 0.015 1
1278 115 115 MET HG2 H 2.844 0.015 1
1279 115 115 MET HG3 H 2.646 0.015 1
1280 115 115 MET C C 176.338 0.5 1
1281 115 115 MET CA C 56.204 0.5 1
1282 115 115 MET CB C 34.103 0.5 1
1283 115 115 MET CE C 16.806 0.5 1
1284 115 115 MET CG C 32.181 0.5 1
1285 115 115 MET N N 118.851 0.12 1
1286 116 116 ASP H H 8.451 0.015 1
1287 116 116 ASP HA H 4.420 0.015 1
1288 116 116 ASP HB2 H 2.799 0.015 1
1289 116 116 ASP HB3 H 2.569 0.015 1
1290 116 116 ASP C C 176.629 0.5 1
1291 116 116 ASP CA C 54.282 0.5 1
1292 116 116 ASP CB C 42.271 0.5 1
1293 116 116 ASP N N 123.711 0.12 1
1294 117 117 GLU H H 8.741 0.015 1
1295 117 117 GLU HA H 3.866 0.015 1
1296 117 117 GLU HB2 H 2.024 0.015 1
1297 117 117 GLU HB3 H 1.954 0.015 1
1298 117 117 GLU HG2 H 2.306 0.015 1
1299 117 117 GLU HG3 H 2.191 0.015 1
1300 117 117 GLU C C 178.510 0.5 1
1301 117 117 GLU CA C 61.009 0.5 1
1302 117 117 GLU CB C 29.779 0.5 1
1303 117 117 GLU CG C 36.505 0.5 1
1304 117 117 GLU N N 123.274 0.12 1
1305 118 118 ALA H H 8.275 0.015 1
1306 118 118 ALA HA H 4.083 0.015 1
1307 118 118 ALA HB H 1.404 0.015 1
1308 118 118 ALA C C 180.864 0.5 1
1309 118 118 ALA CA C 55.243 0.5 1
1310 118 118 ALA CB C 18.248 0.5 1
1311 118 118 ALA N N 121.393 0.12 1
1312 119 119 LYS H H 7.710 0.015 1
1313 119 119 LYS HA H 4.007 0.015 1
1314 119 119 LYS HB2 H 1.862 0.015 1
1315 119 119 LYS HB3 H 1.862 0.015 1
1316 119 119 LYS HD2 H 1.654 0.015 1
1317 119 119 LYS HD3 H 1.654 0.015 1
1318 119 119 LYS HE2 H 2.937 0.015 1
1319 119 119 LYS HE3 H 2.937 0.015 1
1320 119 119 LYS HG2 H 1.533 0.015 1
1321 119 119 LYS HG3 H 1.533 0.015 1
1322 119 119 LYS C C 178.936 0.5 1
1323 119 119 LYS CA C 58.126 0.5 1
1324 119 119 LYS CB C 32.181 0.5 1
1325 119 119 LYS CD C 28.818 0.5 1
1326 119 119 LYS CE C 41.790 0.5 1
1327 119 119 LYS CG C 24.974 0.5 1
1328 119 119 LYS N N 120.814 0.12 1
1329 120 120 ALA H H 8.422 0.015 1
1330 120 120 ALA HA H 3.910 0.015 1
1331 120 120 ALA HB H 1.253 0.015 1
1332 120 120 ALA C C 178.824 0.5 1
1333 120 120 ALA CA C 55.724 0.5 1
1334 120 120 ALA CB C 17.767 0.5 1
1335 120 120 ALA N N 122.186 0.12 1
1336 121 121 LYS H H 7.730 0.015 1
1337 121 121 LYS HA H 3.652 0.015 1
1338 121 121 LYS HB2 H 1.821 0.015 1
1339 121 121 LYS HB3 H 1.821 0.015 1
1340 121 121 LYS HD2 H 1.638 0.015 1
1341 121 121 LYS HD3 H 1.638 0.015 1
1342 121 121 LYS HE2 H 2.869 0.015 1
1343 121 121 LYS HE3 H 2.869 0.015 1
1344 121 121 LYS HG2 H 1.385 0.015 1
1345 121 121 LYS HG3 H 1.385 0.015 1
1346 121 121 LYS C C 177.812 0.5 1
1347 121 121 LYS CA C 60.528 0.5 1
1348 121 121 LYS CB C 32.181 0.5 1
1349 121 121 LYS CD C 29.298 0.5 1
1350 121 121 LYS CE C 41.790 0.5 1
1351 121 121 LYS CG C 24.974 0.5 1
1352 121 121 LYS N N 116.925 0.12 1
1353 122 122 GLU H H 7.315 0.015 1
1354 122 122 GLU HA H 3.878 0.015 1
1355 122 122 GLU HB2 H 2.003 0.015 1
1356 122 122 GLU HB3 H 2.003 0.015 1
1357 122 122 GLU HG2 H 2.266 0.015 1
1358 122 122 GLU HG3 H 2.144 0.015 1
1359 122 122 GLU C C 178.996 0.5 1
1360 122 122 GLU CA C 58.606 0.5 1
1361 122 122 GLU CB C 29.298 0.5 1
1362 122 122 GLU CG C 36.025 0.5 1
1363 122 122 GLU N N 117.425 0.12 1
1364 123 123 MET H H 7.760 0.015 1
1365 123 123 MET HA H 3.534 0.015 1
1366 123 123 MET HB2 H 1.638 0.015 1
1367 123 123 MET HB3 H 1.129 0.015 1
1368 123 123 MET HE H 1.963 0.015 1
1369 123 123 MET HG2 H 2.197 0.015 1
1370 123 123 MET HG3 H 2.024 0.015 1
1371 123 123 MET C C 176.096 0.5 1
1372 123 123 MET CA C 58.126 0.5 1
1373 123 123 MET CB C 30.740 0.5 1
1374 123 123 MET CE C 17.287 0.5 1
1375 123 123 MET CG C 31.701 0.5 1
1376 123 123 MET N N 119.569 0.12 1
1377 124 124 LEU H H 7.846 0.015 1
1378 124 124 LEU HA H 3.553 0.015 1
1379 124 124 LEU HB2 H 1.916 0.015 1
1380 124 124 LEU HB3 H 1.220 0.015 1
1381 124 124 LEU HD1 H 0.789 0.015 2
1382 124 124 LEU HD2 H 0.901 0.015 2
1383 124 124 LEU HG H 1.753 0.015 1
1384 124 124 LEU C C 179.387 0.5 1
1385 124 124 LEU CA C 58.126 0.5 1
1386 124 124 LEU CB C 41.790 0.5 1
1387 124 124 LEU CD1 C 25.935 0.5 1
1388 124 124 LEU CD2 C 23.533 0.5 1
1389 124 124 LEU CG C 27.376 0.5 1
1390 124 124 LEU N N 116.935 0.12 1
1391 125 125 ARG H H 7.843 0.015 1
1392 125 125 ARG HA H 4.062 0.015 1
1393 125 125 ARG HB2 H 1.846 0.015 1
1394 125 125 ARG HB3 H 1.846 0.015 1
1395 125 125 ARG HD2 H 3.178 0.015 1
1396 125 125 ARG HD3 H 3.178 0.015 1
1397 125 125 ARG HG2 H 1.740 0.015 1
1398 125 125 ARG HG3 H 1.587 0.015 1
1399 125 125 ARG C C 181.128 0.5 1
1400 125 125 ARG CA C 58.606 0.5 1
1401 125 125 ARG CB C 29.298 0.5 1
1402 125 125 ARG CD C 42.751 0.5 1
1403 125 125 ARG CG C 27.376 0.5 1
1404 125 125 ARG N N 116.775 0.12 1
1405 126 126 ARG H H 7.917 0.015 1
1406 126 126 ARG HA H 3.975 0.015 1
1407 126 126 ARG HB2 H 1.862 0.015 1
1408 126 126 ARG HB3 H 1.862 0.015 1
1409 126 126 ARG HD2 H 3.128 0.015 1
1410 126 126 ARG HD3 H 3.128 0.015 1
1411 126 126 ARG HG2 H 1.595 0.015 1
1412 126 126 ARG HG3 H 1.595 0.015 1
1413 126 126 ARG C C 179.083 0.5 1
1414 126 126 ARG CA C 59.087 0.5 1
1415 126 126 ARG CB C 29.298 0.5 1
1416 126 126 ARG CD C 43.712 0.5 1
1417 126 126 ARG CG C 27.376 0.5 1
1418 126 126 ARG N N 123.580 0.12 1
1419 127 127 TRP H H 7.866 0.015 1
1420 127 127 TRP HA H 4.731 0.015 1
1421 127 127 TRP HB2 H 3.438 0.015 1
1422 127 127 TRP HB3 H 3.295 0.015 1
1423 127 127 TRP HD1 H 7.181 0.015 1
1424 127 127 TRP HE1 H 9.412 0.015 1
1425 127 127 TRP HE3 H 6.735 0.015 1
1426 127 127 TRP HH2 H 7.285 0.015 1
1427 127 127 TRP HZ3 H 6.920 0.015 1
1428 127 127 TRP C C 175.124 0.5 1
1429 127 127 TRP CA C 55.724 0.5 1
1430 127 127 TRP CB C 28.818 0.5 1
1431 127 127 TRP N N 119.680 0.12 1
1432 127 127 TRP NE1 N 126.741 0.12 1
1433 128 128 GLY H H 7.678 0.015 1
1434 128 128 GLY HA2 H 4.344 0.015 1
1435 128 128 GLY HA3 H 3.656 0.015 1
1436 128 128 GLY C C 175.190 0.5 1
1437 128 128 GLY CA C 44.673 0.5 1
1438 128 128 GLY N N 102.965 0.12 1
1439 129 129 ALA H H 8.008 0.015 1
1440 129 129 ALA HA H 4.466 0.015 1
1441 129 129 ALA HB H 1.232 0.015 1
1442 129 129 ALA C C 177.719 0.5 1
1443 129 129 ALA CA C 52.360 0.5 1
1444 129 129 ALA CB C 18.728 0.5 1
1445 129 129 ALA N N 123.803 0.12 1
1446 130 130 SER H H 9.517 0.015 1
1447 130 130 SER HA H 4.551 0.015 1
1448 130 130 SER HB2 H 4.022 0.015 1
1449 130 130 SER HB3 H 4.022 0.015 1
1450 130 130 SER C C 175.736 0.5 1
1451 130 130 SER CA C 56.684 0.5 1
1452 130 130 SER CB C 65.813 0.5 1
1453 130 130 SER N N 120.247 0.12 1
1454 131 131 THR H H 9.064 0.015 1
1455 131 131 THR HA H 3.831 0.015 1
1456 131 131 THR HB H 4.139 0.015 1
1457 131 131 THR HG2 H 1.233 0.015 1
1458 131 131 THR C C 177.159 0.5 1
1459 131 131 THR CA C 66.774 0.5 1
1460 131 131 THR CB C 68.215 0.5 1
1461 131 131 THR CG2 C 22.091 0.5 1
1462 131 131 THR N N 118.082 0.12 1
1463 132 132 GLU H H 8.630 0.015 1
1464 132 132 GLU HA H 4.089 0.015 1
1465 132 132 GLU HB2 H 2.042 0.015 1
1466 132 132 GLU HB3 H 1.947 0.015 1
1467 132 132 GLU HG2 H 2.313 0.015 1
1468 132 132 GLU HG3 H 2.313 0.015 1
1469 132 132 GLU C C 179.448 0.5 1
1470 132 132 GLU CA C 60.048 0.5 1
1471 132 132 GLU CB C 28.818 0.5 1
1472 132 132 GLU CG C 36.986 0.5 1
1473 132 132 GLU N N 121.850 0.12 1
1474 133 133 GLU H H 7.837 0.015 1
1475 133 133 GLU HA H 3.861 0.015 1
1476 133 133 GLU HB2 H 2.490 0.015 1
1477 133 133 GLU HB3 H 1.760 0.015 1
1478 133 133 GLU HG2 H 2.490 0.015 1
1479 133 133 GLU HG3 H 2.317 0.015 1
1480 133 133 GLU C C 178.883 0.5 1
1481 133 133 GLU CA C 60.048 0.5 1
1482 133 133 GLU CB C 30.259 0.5 1
1483 133 133 GLU CG C 37.466 0.5 1
1484 133 133 GLU N N 120.583 0.12 1
1485 134 134 CYS H H 8.876 0.015 1
1486 134 134 CYS HA H 3.880 0.015 1
1487 134 134 CYS HB2 H 3.040 0.015 1
1488 134 134 CYS HB3 H 2.774 0.015 1
1489 134 134 CYS C C 176.513 0.5 1
1490 134 134 CYS CA C 64.372 0.5 1
1491 134 134 CYS CB C 26.416 0.5 1
1492 134 134 CYS N N 116.549 0.12 1
1493 135 135 SER H H 7.913 0.015 1
1494 135 135 SER HA H 3.900 0.015 1
1495 135 135 SER HB2 H 3.900 0.015 1
1496 135 135 SER HB3 H 3.900 0.015 1
1497 135 135 SER C C 177.120 0.5 1
1498 135 135 SER CA C 61.489 0.5 1
1499 135 135 SER CB C 62.450 0.5 1
1500 135 135 SER N N 114.276 0.12 1
1501 136 136 ARG H H 7.867 0.015 1
1502 136 136 ARG HA H 4.059 0.015 1
1503 136 136 ARG HB2 H 1.944 0.015 1
1504 136 136 ARG HB3 H 1.837 0.015 1
1505 136 136 ARG HD2 H 3.209 0.015 1
1506 136 136 ARG HD3 H 3.209 0.015 1
1507 136 136 ARG HG2 H 1.737 0.015 1
1508 136 136 ARG HG3 H 1.737 0.015 1
1509 136 136 ARG C C 179.655 0.5 1
1510 136 136 ARG CA C 59.567 0.5 1
1511 136 136 ARG CB C 30.259 0.5 1
1512 136 136 ARG CD C 43.712 0.5 1
1513 136 136 ARG CG C 27.857 0.5 1
1514 136 136 ARG N N 121.226 0.12 1
1515 137 137 LEU H H 8.432 0.015 1
1516 137 137 LEU HA H 3.729 0.015 1
1517 137 137 LEU HB2 H 1.874 0.015 1
1518 137 137 LEU HB3 H 1.319 0.015 1
1519 137 137 LEU HD1 H 0.786 0.015 2
1520 137 137 LEU HD2 H 0.417 0.015 2
1521 137 137 LEU HG H 1.771 0.015 1
1522 137 137 LEU C C 178.991 0.5 1
1523 137 137 LEU CA C 57.645 0.5 1
1524 137 137 LEU CB C 41.310 0.5 1
1525 137 137 LEU CD1 C 24.974 0.5 1
1526 137 137 LEU CD2 C 22.091 0.5 1
1527 137 137 LEU CG C 26.896 0.5 1
1528 137 137 LEU N N 119.629 0.12 1
1529 138 138 GLN H H 8.639 0.015 1
1530 138 138 GLN HA H 4.059 0.015 1
1531 138 138 GLN HB2 H 2.114 0.015 1
1532 138 138 GLN HB3 H 2.114 0.015 1
1533 138 138 GLN HE21 H 7.809 0.015 1
1534 138 138 GLN HE22 H 6.588 0.015 1
1535 138 138 GLN HG2 H 2.507 0.015 1
1536 138 138 GLN HG3 H 2.141 0.015 1
1537 138 138 GLN C C 179.632 0.5 1
1538 138 138 GLN CA C 60.528 0.5 1
1539 138 138 GLN CB C 29.298 0.5 1
1540 138 138 GLN CG C 35.544 0.5 1
1541 138 138 GLN N N 118.234 0.12 1
1542 138 138 GLN NE2 N 112.248 0.12 1
1543 139 139 GLN H H 7.827 0.015 1
1544 139 139 GLN HA H 4.084 0.015 1
1545 139 139 GLN HB2 H 2.143 0.015 1
1546 139 139 GLN HB3 H 2.143 0.015 1
1547 139 139 GLN HE21 H 7.302 0.015 1
1548 139 139 GLN HE22 H 6.758 0.015 1
1549 139 139 GLN HG2 H 2.491 0.015 1
1550 139 139 GLN HG3 H 2.491 0.015 1
1551 139 139 GLN C C 178.553 0.5 1
1552 139 139 GLN CA C 58.606 0.5 1
1553 139 139 GLN CB C 27.857 0.5 1
1554 139 139 GLN CG C 34.583 0.5 1
1555 139 139 GLN N N 120.067 0.12 1
1556 139 139 GLN NE2 N 111.834 0.12 1
1557 140 140 ALA H H 7.627 0.015 1
1558 140 140 ALA HA H 4.028 0.015 1
1559 140 140 ALA HB H 0.883 0.015 1
1560 140 140 ALA C C 181.219 0.5 1
1561 140 140 ALA CA C 54.763 0.5 1
1562 140 140 ALA CB C 18.248 0.5 1
1563 140 140 ALA N N 123.937 0.12 1
1564 141 141 LEU H H 8.541 0.015 1
1565 141 141 LEU HA H 4.044 0.015 1
1566 141 141 LEU HB2 H 2.056 0.015 1
1567 141 141 LEU HB3 H 1.372 0.015 1
1568 141 141 LEU HD1 H 0.434 0.015 2
1569 141 141 LEU HD2 H 0.434 0.015 2
1570 141 141 LEU HG H 0.766 0.015 1
1571 141 141 LEU C C 178.527 0.5 1
1572 141 141 LEU CA C 58.126 0.5 1
1573 141 141 LEU CB C 41.310 0.5 1
1574 141 141 LEU CD1 C 23.533 0.5 1
1575 141 141 LEU CD2 C 23.533 0.5 1
1576 141 141 LEU CG C 24.974 0.5 1
1577 141 141 LEU N N 121.082 0.12 1
1578 142 142 THR H H 8.034 0.015 1
1579 142 142 THR HA H 3.827 0.015 1
1580 142 142 THR HB H 4.333 0.015 1
1581 142 142 THR HG2 H 1.243 0.015 1
1582 142 142 THR C C 175.871 0.5 1
1583 142 142 THR CA C 66.774 0.5 1
1584 142 142 THR CB C 68.215 0.5 1
1585 142 142 THR CG2 C 22.091 0.5 1
1586 142 142 THR N N 117.097 0.12 1
1587 143 143 CYS H H 7.614 0.015 1
1588 143 143 CYS HA H 4.067 0.015 1
1589 143 143 CYS HB2 H 3.080 0.015 1
1590 143 143 CYS HB3 H 3.038 0.015 1
1591 143 143 CYS C C 177.065 0.5 1
1592 143 143 CYS CA C 62.450 0.5 1
1593 143 143 CYS CB C 26.416 0.5 1
1594 143 143 CYS N N 118.489 0.12 1
1595 144 144 LEU H H 7.507 0.015 1
1596 144 144 LEU HA H 4.243 0.015 1
1597 144 144 LEU HB2 H 1.827 0.015 1
1598 144 144 LEU HB3 H 1.556 0.015 1
1599 144 144 LEU HD1 H 0.811 0.015 2
1600 144 144 LEU HD2 H 0.706 0.015 2
1601 144 144 LEU HG H 1.699 0.015 1
1602 144 144 LEU C C 179.163 0.5 1
1603 144 144 LEU CA C 57.165 0.5 1
1604 144 144 LEU CB C 42.751 0.5 1
1605 144 144 LEU CD1 C 25.455 0.5 1
1606 144 144 LEU CD2 C 25.455 0.5 1
1607 144 144 LEU CG C 27.376 0.5 1
1608 144 144 LEU N N 119.600 0.12 1
1609 145 145 ARG H H 8.500 0.015 1
1610 145 145 ARG HA H 3.902 0.015 1
1611 145 145 ARG HB2 H 1.953 0.015 1
1612 145 145 ARG HB3 H 1.867 0.015 1
1613 145 145 ARG HD2 H 3.172 0.015 1
1614 145 145 ARG HD3 H 3.172 0.015 1
1615 145 145 ARG HG2 H 1.712 0.015 1
1616 145 145 ARG HG3 H 1.712 0.015 1
1617 145 145 ARG C C 177.005 0.5 1
1618 145 145 ARG CA C 59.087 0.5 1
1619 145 145 ARG CB C 30.740 0.5 1
1620 145 145 ARG CD C 43.232 0.5 1
1621 145 145 ARG CG C 28.818 0.5 1
1622 145 145 ARG N N 120.612 0.12 1
1623 146 146 LYS H H 7.304 0.015 1
1624 146 146 LYS HA H 4.130 0.015 1
1625 146 146 LYS HB2 H 1.965 0.015 1
1626 146 146 LYS HB3 H 1.830 0.015 1
1627 146 146 LYS HD2 H 1.661 0.015 1
1628 146 146 LYS HD3 H 1.661 0.015 1
1629 146 146 LYS HE2 H 2.951 0.015 1
1630 146 146 LYS HE3 H 2.951 0.015 1
1631 146 146 LYS HG2 H 1.478 0.015 1
1632 146 146 LYS HG3 H 1.478 0.015 1
1633 146 146 LYS C C 177.142 0.5 1
1634 146 146 LYS CA C 56.684 0.5 1
1635 146 146 LYS CB C 32.662 0.5 1
1636 146 146 LYS CD C 29.298 0.5 1
1637 146 146 LYS CE C 42.271 0.5 1
1638 146 146 LYS CG C 24.974 0.5 1
1639 146 146 LYS N N 114.754 0.12 1
1640 147 147 VAL H H 7.234 0.015 1
1641 147 147 VAL HA H 3.901 0.015 1
1642 147 147 VAL HB H 2.201 0.015 1
1643 147 147 VAL HG1 H 1.120 0.015 2
1644 147 147 VAL HG2 H 1.006 0.015 2
1645 147 147 VAL C C 175.703 0.5 1
1646 147 147 VAL CA C 63.891 0.5 1
1647 147 147 VAL CB C 31.701 0.5 1
1648 147 147 VAL CG1 C 22.091 0.5 1
1649 147 147 VAL CG2 C 21.611 0.5 1
1650 147 147 VAL N N 120.090 0.12 1
1651 148 148 THR H H 8.006 0.015 1
1652 148 148 THR HA H 4.523 0.015 1
1653 148 148 THR HB H 4.315 0.015 1
1654 148 148 THR HG2 H 1.164 0.015 1
1655 148 148 THR C C 174.020 0.5 1
1656 148 148 THR CA C 60.528 0.5 1
1657 148 148 THR CB C 70.618 0.5 1
1658 148 148 THR CG2 C 20.650 0.5 1
1659 148 148 THR N N 117.622 0.12 1
1660 149 149 GLY H H 8.017 0.015 1
1661 149 149 GLY HA2 H 3.893 0.015 1
1662 149 149 GLY HA3 H 3.464 0.015 1
1663 149 149 GLY C C 179.059 0.5 1
1664 149 149 GLY CA C 46.114 0.5 1
1665 149 149 GLY N N 114.270 0.12 1
stop_
save_