data_5181
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Virtually complete 1H, 13C and 15N resonance assignments of the second family 4
xylan binding module of Rhodothermus marinus xylanase 10A
;
_BMRB_accession_number 5181
_BMRB_flat_file_name bmr5181.str
_Entry_type original
_Submission_date 2001-10-16
_Accession_date 2001-10-16
_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 Jamieson Stuart J .
2 Williamson Michael P .
3 Abou-Hachem Maher . .
4 'Nordberg Karlsson' Eva . .
5 Simpson Peter J .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 916
"13C chemical shifts" 712
"15N chemical shifts" 183
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2002-05-07 original author .
stop_
_Original_release_date 2002-05-07
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letter to the Editor: Virtually Complete 1H, 13C and 15N Resonance Assignments of the
Second Family 4 Xylan Binding Module of Rhodothermus marinus xylanase 10A
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code 21880666
_PubMed_ID 11883782
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Jamieson Stuart J .
2 Williamson Michael P .
3 Abou-Hachem Maher . .
4 Nordberg K. E. .
5 Simpson Peter J .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 22
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 187
_Page_last 188
_Year 2002
_Details .
loop_
_Keyword
'xylan binding module,xylanase'
'resonance assignment'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_cbm4-2
_Saveframe_category molecular_system
_Mol_system_name 'Xylanase 10A, second family 4 carbohydrate binding module'
_Abbreviation_common cbm4-2
_Enzyme_commission_number 3.2.1.8
loop_
_Mol_system_component_name
_Mol_label
cbm4-2 $cbm4-2
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
loop_
_Biological_function
'Xylan binding module from a xylanase'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_cbm4-2
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common cbm4-2
_Abbreviation_common cbm4-2
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 168
_Mol_residue_sequence
;
MLVANINGGFESTPAGVVTD
LAEGVEGWDLNVGSSVTNPP
VFEVLETSDAPEGNKVLAVT
VNGVGNNPWDIEATAFPVNV
RPGVTYTYTIWARAEQDGAV
VSFTVGNQSFQEYGRLHEQQ
ITTEWQPFTFEFTVSDQETV
IRAPIHFGYAANVGNTIYID
GLAIASQP
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 LEU 3 VAL 4 ALA 5 ASN
6 ILE 7 ASN 8 GLY 9 GLY 10 PHE
11 GLU 12 SER 13 THR 14 PRO 15 ALA
16 GLY 17 VAL 18 VAL 19 THR 20 ASP
21 LEU 22 ALA 23 GLU 24 GLY 25 VAL
26 GLU 27 GLY 28 TRP 29 ASP 30 LEU
31 ASN 32 VAL 33 GLY 34 SER 35 SER
36 VAL 37 THR 38 ASN 39 PRO 40 PRO
41 VAL 42 PHE 43 GLU 44 VAL 45 LEU
46 GLU 47 THR 48 SER 49 ASP 50 ALA
51 PRO 52 GLU 53 GLY 54 ASN 55 LYS
56 VAL 57 LEU 58 ALA 59 VAL 60 THR
61 VAL 62 ASN 63 GLY 64 VAL 65 GLY
66 ASN 67 ASN 68 PRO 69 TRP 70 ASP
71 ILE 72 GLU 73 ALA 74 THR 75 ALA
76 PHE 77 PRO 78 VAL 79 ASN 80 VAL
81 ARG 82 PRO 83 GLY 84 VAL 85 THR
86 TYR 87 THR 88 TYR 89 THR 90 ILE
91 TRP 92 ALA 93 ARG 94 ALA 95 GLU
96 GLN 97 ASP 98 GLY 99 ALA 100 VAL
101 VAL 102 SER 103 PHE 104 THR 105 VAL
106 GLY 107 ASN 108 GLN 109 SER 110 PHE
111 GLN 112 GLU 113 TYR 114 GLY 115 ARG
116 LEU 117 HIS 118 GLU 119 GLN 120 GLN
121 ILE 122 THR 123 THR 124 GLU 125 TRP
126 GLN 127 PRO 128 PHE 129 THR 130 PHE
131 GLU 132 PHE 133 THR 134 VAL 135 SER
136 ASP 137 GLN 138 GLU 139 THR 140 VAL
141 ILE 142 ARG 143 ALA 144 PRO 145 ILE
146 HIS 147 PHE 148 GLY 149 TYR 150 ALA
151 ALA 152 ASN 153 VAL 154 GLY 155 ASN
156 THR 157 ILE 158 TYR 159 ILE 160 ASP
161 GLY 162 LEU 163 ALA 164 ILE 165 ALA
166 SER 167 GLN 168 PRO
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
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 1K42 "The Solution Structure Of The Cbm4-2 Carbohydrate Binding Module From A Thermostable Rhodothermus Marinus Xylanase." 100.00 168 100.00 100.00 1.08e-115
PDB 1K45 "The Solution Structure Of The Cbm4-2 Carbohydrate Binding Module From A Thermostable Rhodothermus Marinus Xylanase" 100.00 168 100.00 100.00 1.08e-115
GB AAR06926 "xylanase [Rhodothermus marinus]" 97.02 165 100.00 100.00 1.40e-111
GB AAT07003 "xylan-binding variant of Rhodothermus marinus xylanase CBM4-2 [synthetic construct]" 97.02 165 97.55 98.77 7.34e-109
GB AAT07004 "xylan-binding variant of Rhodothermus marinus xylanase CBM4-2 [synthetic construct]" 97.02 165 96.93 98.77 9.64e-109
GB AAT07006 "xylan-binding variant of Rhodothermus marinus xylanase CBM4-2 [synthetic construct]" 97.02 165 97.55 98.77 2.30e-109
GB AAT07022 "mannan-binding variant of Rhodothermus marinus xylanase CBM4-2 [synthetic construct]" 97.02 165 97.55 98.77 2.30e-109
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$cbm4-2 'Rhodothermus marinus' 29549 Eubacteria . Rhodothermus marinus xyn10A
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$cbm4-2 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET-25b(+)
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
$cbm4-2 1.5 mM '[U-13C; U-15N]'
CaCl2 50 mM .
'sodium acetate' 50 mM [U-2H]
'sodium azide' 10 mM .
TSP 0.1 mM .
stop_
save_
############################
# Computer software used #
############################
save_FELIX
_Saveframe_category software
_Name FELIX
_Version 2000
loop_
_Task
processing
analysis
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_HNHA_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_Sample_label .
save_
save_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC
_Sample_label .
save_
save_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_CBCA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_Sample_label .
save_
save_HNCO_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
save_HCCH-TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_CCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name CCH-TOCSY
_Sample_label .
save_
save_HB(CBCGCD)HD_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HB(CBCGCD)HD
_Sample_label .
save_
save_2D-NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name 2D-NOESY
_Sample_label .
save_
save_13C-15N_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C-15N NOESY'
_Sample_label .
save_
save_3D_15N-dispersed_TOCSY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-dispersed TOCSY'
_Sample_label .
save_
save_3D_15N-dispersed_NOESY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-dispersed NOESY'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name CCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HB(CBCGCD)HD
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name 2D-NOESY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C-15N NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-dispersed TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-dispersed NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.0 0.1 n/a
temperature 313 1 K
'ionic strength' 0.2 . M
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_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
TSP H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
TSP N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
TSP C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
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_chemical_shifts_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name cbm4-2
_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 . 1 MET CE C 16.9 0.2 1
2 . 1 MET HE H 2.030 0.005 1
3 . 2 LEU C C 176.4 0.2 1
4 . 2 LEU CA C 55.2 0.2 1
5 . 2 LEU HA H 4.612 0.005 1
6 . 2 LEU CB C 42.6 0.2 1
7 . 2 LEU HB3 H 1.676 0.005 1
8 . 2 LEU HB2 H 1.676 0.005 1
9 . 2 LEU CG C 26.9 0.2 1
10 . 2 LEU CD2 C 24.1 0.2 1
11 . 2 LEU HD2 H 0.890 0.005 1
12 . 2 LEU CD1 C 24.7 0.2 1
13 . 2 LEU HD1 H 0.930 0.005 1
14 . 3 VAL N N 121.3 0.2 1
15 . 3 VAL H H 8.229 0.005 1
16 . 3 VAL C C 176.3 0.2 1
17 . 3 VAL CA C 61.6 0.2 1
18 . 3 VAL HA H 4.653 0.005 1
19 . 3 VAL CB C 33.6 0.2 1
20 . 3 VAL HB H 2.269 0.005 1
21 . 3 VAL CG2 C 20.4 0.2 1
22 . 3 VAL HG2 H 1.000 0.005 1
23 . 3 VAL CG1 C 22.3 0.2 1
24 . 3 VAL HG1 H 1.060 0.005 1
25 . 4 ALA N N 126.3 0.2 1
26 . 4 ALA H H 9.309 0.005 1
27 . 4 ALA C C 176.7 0.2 1
28 . 4 ALA CA C 53.7 0.2 1
29 . 4 ALA HA H 4.427 0.005 1
30 . 4 ALA CB C 21.4 0.2 1
31 . 4 ALA HB H 1.254 0.005 1
32 . 5 ASN N N 114.2 0.2 1
33 . 5 ASN H H 8.408 0.005 1
34 . 5 ASN C C 173.1 0.2 1
35 . 5 ASN CA C 51.6 0.2 1
36 . 5 ASN HA H 4.929 0.005 1
37 . 5 ASN CB C 39.3 0.2 1
38 . 5 ASN HB3 H 1.825 0.005 2
39 . 5 ASN HB2 H 3.025 0.005 2
40 . 5 ASN ND2 N 115.8 0.2 1
41 . 5 ASN HD21 H 6.670 0.005 2
42 . 5 ASN HD22 H 7.800 0.005 2
43 . 6 ILE N N 123.3 0.2 1
44 . 6 ILE H H 9.704 0.005 1
45 . 6 ILE C C 176.1 0.2 1
46 . 6 ILE CA C 60.4 0.2 1
47 . 6 ILE HA H 4.189 0.005 1
48 . 6 ILE CB C 41.0 0.2 1
49 . 6 ILE HB H 1.726 0.005 1
50 . 6 ILE CG1 C 27.8 0.2 1
51 . 6 ILE HG13 H 1.090 0.005 2
52 . 6 ILE HG12 H 1.380 0.005 2
53 . 6 ILE CG2 C 17.6 0.2 1
54 . 6 ILE HG2 H 0.820 0.005 1
55 . 6 ILE CD1 C 13.7 0.2 1
56 . 6 ILE HD1 H 0.800 0.005 1
57 . 7 ASN N N 125.0 0.2 1
58 . 7 ASN H H 9.053 0.005 1
59 . 7 ASN C C 178.6 0.2 1
60 . 7 ASN CA C 53.7 0.2 1
61 . 7 ASN HA H 4.485 0.005 1
62 . 7 ASN CB C 37.0 0.2 1
63 . 7 ASN HB3 H 2.116 0.005 2
64 . 7 ASN HB2 H 3.898 0.005 2
65 . 7 ASN ND2 N 109.5 0.2 1
66 . 7 ASN HD21 H 6.640 0.005 2
67 . 7 ASN HD22 H 8.420 0.005 2
68 . 8 GLY N N 105.4 0.2 1
69 . 8 GLY H H 8.869 0.005 1
70 . 8 GLY C C 172.0 0.2 1
71 . 8 GLY CA C 47.4 0.2 1
72 . 8 GLY HA3 H 4.000 0.005 2
73 . 8 GLY HA2 H 4.060 0.005 2
74 . 9 GLY N N 104.1 0.2 1
75 . 9 GLY H H 7.909 0.005 1
76 . 9 GLY C C 176.8 0.2 1
77 . 9 GLY CA C 44.0 0.2 1
78 . 9 GLY HA3 H 4.199 0.005 2
79 . 9 GLY HA2 H 4.843 0.005 2
80 . 10 PHE N N 110.9 0.2 1
81 . 10 PHE H H 6.849 0.005 1
82 . 10 PHE C C 175.1 0.2 1
83 . 10 PHE CA C 62.1 0.2 1
84 . 10 PHE HA H 3.729 0.005 1
85 . 10 PHE CB C 36.3 0.2 1
86 . 10 PHE HB3 H 3.130 0.005 1
87 . 10 PHE HB2 H 3.130 0.005 1
88 . 10 PHE CD1 C 128.8 0.2 1
89 . 10 PHE CD2 C 128.8 0.2 1
90 . 10 PHE HD1 H 6.670 0.005 1
91 . 10 PHE HD2 H 6.670 0.005 1
92 . 10 PHE CE1 C 132.5 0.2 1
93 . 10 PHE CE2 C 132.5 0.2 1
94 . 10 PHE HE1 H 7.160 0.005 1
95 . 10 PHE HE2 H 7.160 0.005 1
96 . 10 PHE CZ C 130.2 0.2 1
97 . 10 PHE HZ H 5.780 0.005 1
98 . 11 GLU N N 114.4 0.2 1
99 . 11 GLU H H 7.944 0.005 1
100 . 11 GLU C C 179.5 0.2 1
101 . 11 GLU CA C 58.3 0.2 1
102 . 11 GLU HA H 3.925 0.005 1
103 . 11 GLU CB C 29.1 0.2 1
104 . 11 GLU HB3 H 2.031 0.005 2
105 . 11 GLU HB2 H 2.295 0.005 2
106 . 11 GLU CG C 37.8 0.2 1
107 . 11 GLU HG3 H 2.430 0.005 2
108 . 11 GLU HG2 H 2.740 0.005 2
109 . 12 SER N N 114.0 0.2 1
110 . 12 SER H H 8.835 0.005 1
111 . 12 SER C C 174.2 0.2 1
112 . 12 SER CA C 58.8 0.2 1
113 . 12 SER HA H 4.557 0.005 1
114 . 12 SER CB C 63.4 0.2 1
115 . 12 SER HB3 H 3.725 0.005 2
116 . 12 SER HB2 H 3.993 0.005 2
117 . 13 THR N N 123.0 0.2 1
118 . 13 THR H H 7.823 0.005 1
119 . 13 THR C C 172.1 0.2 1
120 . 13 THR CA C 60.9 0.2 1
121 . 13 THR HA H 4.821 0.005 1
122 . 13 THR CB C 71.5 0.2 1
123 . 13 THR HB H 4.110 0.005 1
124 . 13 THR CG2 C 23.5 0.2 1
125 . 13 THR HG2 H 1.680 0.005 1
126 . 13 THR HG1 H 5.040 0.005 1
127 . 14 PRO C C 175.8 0.2 1
128 . 14 PRO CA C 62.7 0.2 1
129 . 14 PRO HA H 4.320 0.005 1
130 . 14 PRO CB C 32.0 0.2 1
131 . 14 PRO HB3 H 1.918 0.005 2
132 . 14 PRO HB2 H 2.371 0.005 2
133 . 14 PRO CG C 28.0 0.2 1
134 . 14 PRO HG3 H 2.040 0.005 2
135 . 14 PRO HG2 H 2.150 0.005 2
136 . 14 PRO CD C 51.6 0.2 1
137 . 14 PRO HD3 H 3.880 0.005 2
138 . 14 PRO HD2 H 4.040 0.005 2
139 . 15 ALA N N 123.2 0.2 1
140 . 15 ALA H H 8.413 0.005 1
141 . 15 ALA C C 177.7 0.2 1
142 . 15 ALA CA C 52.5 0.2 1
143 . 15 ALA HA H 4.066 0.005 1
144 . 15 ALA CB C 19.2 0.2 1
145 . 15 ALA HB H 1.397 0.005 1
146 . 16 GLY N N 109.6 0.2 1
147 . 16 GLY H H 9.022 0.005 1
148 . 16 GLY C C 175.3 0.2 1
149 . 16 GLY CA C 44.2 0.2 1
150 . 16 GLY HA3 H 3.978 0.005 2
151 . 16 GLY HA2 H 4.687 0.005 2
152 . 17 VAL N N 124.3 0.2 1
153 . 17 VAL H H 8.714 0.005 1
154 . 17 VAL C C 175.8 0.2 1
155 . 17 VAL CA C 64.2 0.2 1
156 . 17 VAL HA H 3.976 0.005 1
157 . 17 VAL CB C 32.3 0.2 1
158 . 17 VAL HB H 1.939 0.005 1
159 . 17 VAL CG1 C 21.1 0.2 1
160 . 17 VAL HG1 H 0.920 0.005 1
161 . 17 VAL CG2 C 22.4 0.2 1
162 . 17 VAL HG2 H 0.930 0.005 1
163 . 18 VAL N N 129.3 0.2 1
164 . 18 VAL H H 8.870 0.005 1
165 . 18 VAL C C 175.6 0.2 1
166 . 18 VAL CA C 63.1 0.2 1
167 . 18 VAL HA H 3.800 0.005 1
168 . 18 VAL CB C 32.1 0.2 1
169 . 18 VAL HB H 1.906 0.005 1
170 . 18 VAL CG2 C 20.1 0.2 1
171 . 18 VAL HG2 H 0.720 0.005 1
172 . 18 VAL CG1 C 22.3 0.2 1
173 . 18 VAL HG1 H 0.790 0.005 1
174 . 19 THR N N 117.5 0.2 1
175 . 19 THR H H 8.460 0.005 1
176 . 19 THR C C 174.7 0.2 1
177 . 19 THR CA C 62.0 0.2 1
178 . 19 THR HA H 4.538 0.005 1
179 . 19 THR CB C 69.5 0.2 1
180 . 19 THR HB H 4.324 0.005 1
181 . 19 THR CG2 C 21.8 0.2 1
182 . 19 THR HG2 H 1.210 0.005 1
183 . 20 ASP N N 124.4 0.2 1
184 . 20 ASP H H 7.873 0.005 1
185 . 20 ASP C C 175.9 0.2 1
186 . 20 ASP CA C 52.1 0.2 1
187 . 20 ASP HA H 4.872 0.005 1
188 . 20 ASP CB C 40.2 0.2 1
189 . 20 ASP HB3 H 2.501 0.005 2
190 . 20 ASP HB2 H 2.791 0.005 2
191 . 21 LEU N N 123.2 0.2 1
192 . 21 LEU H H 8.248 0.005 1
193 . 21 LEU C C 179.3 0.2 1
194 . 21 LEU CA C 58.5 0.2 1
195 . 21 LEU HA H 3.831 0.005 1
196 . 21 LEU CB C 39.7 0.2 1
197 . 21 LEU HB3 H 1.670 0.005 2
198 . 21 LEU HB2 H 2.050 0.005 2
199 . 21 LEU CG C 28.1 0.2 1
200 . 21 LEU HG H 1.720 0.005 1
201 . 21 LEU CD2 C 23.1 0.2 1
202 . 21 LEU HD2 H 0.730 0.005 1
203 . 21 LEU CD1 C 25.7 0.2 1
204 . 21 LEU HD1 H 0.990 0.005 1
205 . 22 ALA N N 120.6 0.2 1
206 . 22 ALA H H 8.113 0.005 1
207 . 22 ALA C C 180.1 0.2 1
208 . 22 ALA CA C 55.4 0.2 1
209 . 22 ALA HA H 4.521 0.005 1
210 . 22 ALA CB C 20.0 0.2 1
211 . 22 ALA HB H 1.639 0.005 1
212 . 23 GLU N N 117.7 0.2 1
213 . 23 GLU H H 8.195 0.005 1
214 . 23 GLU C C 177.1 0.2 1
215 . 23 GLU CA C 55.1 0.2 1
216 . 23 GLU HA H 5.221 0.005 1
217 . 23 GLU CB C 31.7 0.2 1
218 . 23 GLU HB3 H 2.031 0.005 2
219 . 23 GLU HB2 H 2.358 0.005 2
220 . 23 GLU CG C 35.9 0.2 1
221 . 23 GLU HG3 H 2.180 0.005 2
222 . 23 GLU HG2 H 2.370 0.005 2
223 . 24 GLY N N 111.2 0.2 1
224 . 24 GLY H H 8.380 0.005 1
225 . 24 GLY C C 174.5 0.2 1
226 . 24 GLY CA C 47.1 0.2 1
227 . 24 GLY HA3 H 4.022 0.005 2
228 . 24 GLY HA2 H 4.265 0.005 2
229 . 25 VAL N N 122.6 0.2 1
230 . 25 VAL H H 9.078 0.005 1
231 . 25 VAL C C 176.4 0.2 1
232 . 25 VAL CA C 60.6 0.2 1
233 . 25 VAL HA H 4.309 0.005 1
234 . 25 VAL CB C 32.4 0.2 1
235 . 25 VAL HB H 2.438 0.005 1
236 . 25 VAL CG2 C 21.7 0.2 1
237 . 25 VAL HG2 H 0.810 0.005 1
238 . 25 VAL CG1 C 22.6 0.2 1
239 . 25 VAL HG1 H 1.140 0.005 1
240 . 26 GLU N N 132.3 0.2 1
241 . 26 GLU H H 8.993 0.005 1
242 . 26 GLU C C 176.5 0.2 1
243 . 26 GLU CA C 58.5 0.2 1
244 . 26 GLU HA H 4.160 0.005 1
245 . 26 GLU CB C 29.9 0.2 1
246 . 26 GLU HB3 H 1.899 0.005 2
247 . 26 GLU HB2 H 2.142 0.005 2
248 . 26 GLU CG C 35.9 0.2 1
249 . 26 GLU HG3 H 2.140 0.005 2
250 . 26 GLU HG2 H 2.320 0.005 2
251 . 27 GLY N N 112.5 0.2 1
252 . 27 GLY H H 9.055 0.005 1
253 . 27 GLY C C 173.8 0.2 1
254 . 27 GLY CA C 46.1 0.2 1
255 . 27 GLY HA3 H 3.430 0.005 2
256 . 27 GLY HA2 H 4.459 0.005 2
257 . 28 TRP N N 116.8 0.2 1
258 . 28 TRP H H 8.173 0.005 1
259 . 28 TRP C C 177.4 0.2 1
260 . 28 TRP CA C 56.6 0.2 1
261 . 28 TRP HA H 5.596 0.005 1
262 . 28 TRP CB C 33.6 0.2 1
263 . 28 TRP HB3 H 3.010 0.005 2
264 . 28 TRP HB2 H 3.070 0.005 2
265 . 28 TRP CD1 C 129.8 0.2 1
266 . 28 TRP HD1 H 7.880 0.005 1
267 . 28 TRP NE1 N 130.6 0.2 1
268 . 28 TRP HE1 H 9.160 0.005 1
269 . 28 TRP CZ2 C 115.7 0.2 1
270 . 28 TRP HZ2 H 7.370 0.005 1
271 . 29 ASP N N 127.5 0.2 1
272 . 29 ASP H H 10.348 0.005 1
273 . 29 ASP C C 173.9 0.2 1
274 . 29 ASP CA C 54.7 0.2 1
275 . 29 ASP HA H 5.003 0.005 1
276 . 29 ASP CB C 43.1 0.2 1
277 . 29 ASP HB3 H 2.638 0.005 2
278 . 29 ASP HB2 H 2.788 0.005 2
279 . 30 LEU N N 126.3 0.2 1
280 . 30 LEU H H 8.108 0.005 1
281 . 30 LEU C C 174.9 0.2 1
282 . 30 LEU CA C 53.6 0.2 1
283 . 30 LEU HA H 5.163 0.005 1
284 . 30 LEU CB C 40.1 0.2 1
285 . 30 LEU HB3 H 0.351 0.005 2
286 . 30 LEU HB2 H 1.673 0.005 2
287 . 30 LEU CG C 27.0 0.2 1
288 . 30 LEU HG H 1.670 0.005 1
289 . 30 LEU CD2 C 23.5 0.2 1
290 . 30 LEU HD2 H 0.590 0.005 1
291 . 30 LEU CD1 C 25.1 0.2 1
292 . 30 LEU HD1 H 0.470 0.005 1
293 . 31 ASN N N 119.2 0.2 1
294 . 31 ASN H H 8.953 0.005 1
295 . 31 ASN C C 173.0 0.2 1
296 . 31 ASN CA C 53.6 0.2 1
297 . 31 ASN HA H 5.152 0.005 1
298 . 31 ASN CB C 43.4 0.2 1
299 . 31 ASN HB3 H 2.720 0.005 2
300 . 31 ASN HB2 H 2.810 0.005 2
301 . 31 ASN ND2 N 114.8 0.2 1
302 . 31 ASN HD21 H 7.040 0.005 2
303 . 31 ASN HD22 H 8.060 0.005 2
304 . 32 VAL N N 122.5 0.2 1
305 . 32 VAL H H 7.986 0.005 1
306 . 32 VAL C C 176.7 0.2 1
307 . 32 VAL CA C 60.5 0.2 1
308 . 32 VAL HA H 4.904 0.005 1
309 . 32 VAL CB C 34.5 0.2 1
310 . 32 VAL HB H 2.062 0.005 1
311 . 32 VAL CG1 C 21.7 0.2 1
312 . 32 VAL HG1 H 1.100 0.005 1
313 . 32 VAL CG2 C 22.9 0.2 1
314 . 32 VAL HG2 H 1.170 0.005 1
315 . 33 GLY N N 115.5 0.2 1
316 . 33 GLY H H 9.979 0.005 1
317 . 33 GLY C C 175.4 0.2 1
318 . 33 GLY CA C 45.2 0.2 1
319 . 33 GLY HA3 H 4.071 0.005 2
320 . 33 GLY HA2 H 4.343 0.005 2
321 . 34 SER N N 117.8 0.2 1
322 . 34 SER H H 8.698 0.005 1
323 . 34 SER C C 175.3 0.2 1
324 . 34 SER CA C 60.7 0.2 1
325 . 34 SER HA H 4.210 0.005 1
326 . 34 SER CB C 63.2 0.2 1
327 . 34 SER HB3 H 3.970 0.005 1
328 . 34 SER HB2 H 3.970 0.005 1
329 . 35 SER N N 113.8 0.2 1
330 . 35 SER H H 8.226 0.005 1
331 . 35 SER C C 174.3 0.2 1
332 . 35 SER CA C 59.1 0.2 1
333 . 35 SER HA H 4.196 0.005 1
334 . 35 SER CB C 63.2 0.2 1
335 . 35 SER HB3 H 3.780 0.005 2
336 . 35 SER HB2 H 3.820 0.005 2
337 . 36 VAL N N 123.1 0.2 1
338 . 36 VAL H H 7.234 0.005 1
339 . 36 VAL C C 175.9 0.2 1
340 . 36 VAL CA C 62.6 0.2 1
341 . 36 VAL HA H 3.544 0.005 1
342 . 36 VAL CB C 30.5 0.2 1
343 . 36 VAL HB H 2.076 0.005 1
344 . 36 VAL CG1 C 22.1 0.2 1
345 . 36 VAL HG1 H 0.510 0.005 1
346 . 36 VAL CG2 C 22.1 0.2 1
347 . 36 VAL HG2 H 0.730 0.005 1
348 . 37 THR N N 120.2 0.2 1
349 . 37 THR H H 7.991 0.005 1
350 . 37 THR C C 174.5 0.2 1
351 . 37 THR CA C 63.7 0.2 1
352 . 37 THR HA H 4.125 0.005 1
353 . 37 THR CB C 69.1 0.2 1
354 . 37 THR HB H 4.193 0.005 1
355 . 37 THR CG2 C 22.1 0.2 1
356 . 37 THR HG2 H 1.210 0.005 1
357 . 38 ASN N N 120.5 0.2 1
358 . 38 ASN H H 7.208 0.005 1
359 . 38 ASN C C 171.8 0.2 1
360 . 38 ASN CA C 49.8 0.2 1
361 . 38 ASN HA H 5.223 0.005 1
362 . 38 ASN CB C 39.6 0.2 1
363 . 38 ASN HB3 H 2.380 0.005 2
364 . 38 ASN HB2 H 2.530 0.005 2
365 . 38 ASN ND2 N 111.0 0.2 1
366 . 38 ASN HD21 H 6.780 0.005 2
367 . 38 ASN HD22 H 7.190 0.005 2
368 . 39 PRO CA C 61.8 0.2 1
369 . 39 PRO HA H 4.200 0.005 1
370 . 39 PRO CB C 31.3 0.2 1
371 . 39 PRO HB3 H 1.990 0.005 2
372 . 39 PRO HB2 H 2.420 0.005 2
373 . 39 PRO CG C 27.0 0.2 1
374 . 39 PRO HG3 H 2.000 0.005 2
375 . 39 PRO HG2 H 2.080 0.005 2
376 . 39 PRO CD C 51.4 0.2 1
377 . 39 PRO HD3 H 3.790 0.005 1
378 . 39 PRO HD2 H 3.790 0.005 1
379 . 40 PRO C C 175.5 0.2 1
380 . 40 PRO CA C 62.7 0.2 1
381 . 40 PRO HA H 4.823 0.005 1
382 . 40 PRO CB C 33.0 0.2 1
383 . 40 PRO HB3 H 1.165 0.005 2
384 . 40 PRO HB2 H 2.150 0.005 2
385 . 40 PRO CG C 27.5 0.2 1
386 . 40 PRO HG3 H 1.760 0.005 2
387 . 40 PRO HG2 H 1.860 0.005 2
388 . 40 PRO CD C 50.6 0.2 1
389 . 40 PRO HD3 H 3.600 0.005 2
390 . 40 PRO HD2 H 3.700 0.005 2
391 . 41 VAL N N 118.1 0.2 1
392 . 41 VAL H H 7.884 0.005 1
393 . 41 VAL C C 174.8 0.2 1
394 . 41 VAL CA C 62.2 0.2 1
395 . 41 VAL HA H 4.130 0.005 1
396 . 41 VAL CB C 34.6 0.2 1
397 . 41 VAL HB H 1.732 0.005 1
398 . 41 VAL CG2 C 21.1 0.2 1
399 . 41 VAL HG2 H 0.820 0.005 1
400 . 41 VAL CG1 C 21.6 0.2 1
401 . 41 VAL HG1 H 0.880 0.005 1
402 . 42 PHE N N 126.8 0.2 1
403 . 42 PHE H H 9.060 0.005 1
404 . 42 PHE C C 174.6 0.2 1
405 . 42 PHE CA C 56.1 0.2 1
406 . 42 PHE HA H 5.288 0.005 1
407 . 42 PHE CB C 41.2 0.2 1
408 . 42 PHE HB3 H 2.534 0.005 1
409 . 42 PHE HB2 H 2.920 0.005 1
410 . 42 PHE CD1 C 133.2 0.2 1
411 . 42 PHE CD2 C 133.2 0.2 1
412 . 42 PHE HD1 H 7.100 0.005 1
413 . 42 PHE HD2 H 7.100 0.005 1
414 . 42 PHE CE1 C 131.0 0.2 1
415 . 42 PHE CE2 C 131.0 0.2 1
416 . 42 PHE HE1 H 6.950 0.005 1
417 . 42 PHE HE2 H 6.950 0.005 1
418 . 43 GLU N N 123.4 0.2 1
419 . 43 GLU H H 9.341 0.005 1
420 . 43 GLU C C 174.4 0.2 1
421 . 43 GLU CA C 55.2 0.2 1
422 . 43 GLU HA H 4.785 0.005 1
423 . 43 GLU CB C 34.1 0.2 1
424 . 43 GLU HB3 H 1.729 0.005 2
425 . 43 GLU HB2 H 1.829 0.005 2
426 . 43 GLU CG C 35.9 0.2 1
427 . 43 GLU HG3 H 1.830 0.005 1
428 . 43 GLU HG2 H 1.830 0.005 1
429 . 44 VAL N N 126.9 0.2 1
430 . 44 VAL H H 8.032 0.005 1
431 . 44 VAL C C 175.6 0.2 1
432 . 44 VAL CA C 62.6 0.2 1
433 . 44 VAL HA H 4.660 0.005 1
434 . 44 VAL CB C 31.6 0.2 1
435 . 44 VAL HB H 2.203 0.005 1
436 . 44 VAL CG1 C 21.8 0.2 1
437 . 44 VAL HG1 H 0.820 0.005 1
438 . 44 VAL CG2 C 21.8 0.2 1
439 . 44 VAL HG2 H 0.820 0.005 1
440 . 45 LEU N N 131.2 0.2 1
441 . 45 LEU H H 9.007 0.005 1
442 . 45 LEU C C 175.8 0.2 1
443 . 45 LEU CA C 53.5 0.2 1
444 . 45 LEU HA H 4.760 0.005 1
445 . 45 LEU CB C 45.9 0.2 1
446 . 45 LEU HB3 H 1.454 0.005 2
447 . 45 LEU HB2 H 1.500 0.005 2
448 . 45 LEU CG C 26.3 0.2 1
449 . 45 LEU HG H 1.440 0.005 1
450 . 45 LEU CD2 C 24.5 0.2 1
451 . 45 LEU HD2 H 0.800 0.005 1
452 . 45 LEU CD1 C 26.0 0.2 1
453 . 45 LEU HD1 H 0.890 0.005 1
454 . 46 GLU N N 123.5 0.2 1
455 . 46 GLU H H 8.644 0.005 1
456 . 46 GLU C C 176.2 0.2 1
457 . 46 GLU CA C 55.1 0.2 1
458 . 46 GLU HA H 5.197 0.005 1
459 . 46 GLU CB C 30.4 0.2 1
460 . 46 GLU HB3 H 1.827 0.005 2
461 . 46 GLU HB2 H 1.993 0.005 2
462 . 46 GLU CG C 37.1 0.2 1
463 . 46 GLU HG3 H 2.080 0.005 2
464 . 46 GLU HG2 H 2.190 0.005 2
465 . 47 THR N N 119.9 0.2 1
466 . 47 THR H H 8.876 0.005 1
467 . 47 THR C C 173.6 0.2 1
468 . 47 THR CA C 59.0 0.2 1
469 . 47 THR HA H 4.846 0.005 1
470 . 47 THR CB C 69.6 0.2 1
471 . 47 THR HB H 4.130 0.005 1
472 . 47 THR CG2 C 20.4 0.2 1
473 . 47 THR HG2 H 1.100 0.005 1
474 . 48 SER N N 122.0 0.2 1
475 . 48 SER H H 8.570 0.005 1
476 . 48 SER C C 174.4 0.2 1
477 . 48 SER CA C 59.9 0.2 1
478 . 48 SER HA H 4.409 0.005 1
479 . 48 SER CB C 63.2 0.2 1
480 . 48 SER HB3 H 3.911 0.005 2
481 . 48 SER HB2 H 4.011 0.005 2
482 . 49 ASP N N 121.4 0.2 1
483 . 49 ASP H H 8.338 0.005 1
484 . 49 ASP C C 174.8 0.2 1
485 . 49 ASP CA C 52.9 0.2 1
486 . 49 ASP HA H 4.630 0.005 1
487 . 49 ASP CB C 41.4 0.2 1
488 . 49 ASP HB3 H 2.567 0.005 2
489 . 49 ASP HB2 H 2.720 0.005 2
490 . 50 ALA N N 123.1 0.2 1
491 . 50 ALA H H 7.029 0.005 1
492 . 50 ALA C C 176.5 0.2 1
493 . 50 ALA CA C 50.7 0.2 1
494 . 50 ALA HA H 3.535 0.005 1
495 . 50 ALA CB C 18.1 0.2 1
496 . 50 ALA HB H 0.930 0.005 1
497 . 51 PRO C C 175.3 0.2 1
498 . 51 PRO CA C 63.1 0.2 1
499 . 51 PRO HA H 3.321 0.005 1
500 . 51 PRO CB C 30.5 0.2 1
501 . 51 PRO HB3 H 0.050 0.005 2
502 . 51 PRO HB2 H 0.190 0.005 2
503 . 51 PRO CG C 26.8 0.2 1
504 . 51 PRO HG3 H -0.040 0.005 2
505 . 51 PRO HG2 H 0.410 0.005 2
506 . 51 PRO CD C 49.3 0.2 1
507 . 51 PRO HD3 H 1.690 0.005 2
508 . 51 PRO HD2 H 2.850 0.005 2
509 . 52 GLU N N 117.3 0.2 1
510 . 52 GLU H H 7.161 0.005 1
511 . 52 GLU C C 175.9 0.2 1
512 . 52 GLU CA C 55.1 0.2 1
513 . 52 GLU HA H 4.171 0.005 1
514 . 52 GLU CB C 30.4 0.2 1
515 . 52 GLU HB3 H 1.450 0.005 2
516 . 52 GLU HB2 H 1.872 0.005 2
517 . 52 GLU CG C 34.5 0.2 1
518 . 52 GLU HG3 H 2.020 0.005 2
519 . 52 GLU HG2 H 2.250 0.005 2
520 . 53 GLY N N 119.3 0.2 1
521 . 53 GLY H H 8.861 0.005 1
522 . 53 GLY C C 172.6 0.2 1
523 . 53 GLY CA C 46.0 0.2 1
524 . 53 GLY HA3 H 3.548 0.005 1
525 . 53 GLY HA2 H 3.548 0.005 1
526 . 54 ASN N N 120.8 0.2 1
527 . 54 ASN H H 9.799 0.005 1
528 . 54 ASN C C 174.4 0.2 1
529 . 54 ASN CA C 53.2 0.2 1
530 . 54 ASN HA H 4.998 0.005 1
531 . 54 ASN CB C 42.1 0.2 1
532 . 54 ASN HB3 H 2.692 0.005 2
533 . 54 ASN HB2 H 2.913 0.005 2
534 . 54 ASN ND2 N 111.9 0.2 1
535 . 54 ASN HD21 H 6.730 0.005 2
536 . 54 ASN HD22 H 7.490 0.005 2
537 . 55 LYS N N 120.7 0.2 1
538 . 55 LYS H H 10.168 0.005 1
539 . 55 LYS C C 177.4 0.2 1
540 . 55 LYS CA C 54.9 0.2 1
541 . 55 LYS HA H 5.909 0.005 1
542 . 55 LYS CB C 37.0 0.2 1
543 . 55 LYS HB3 H 1.589 0.005 2
544 . 55 LYS HB2 H 1.703 0.005 2
545 . 55 LYS CG C 26.2 0.2 1
546 . 55 LYS HG3 H 1.280 0.005 2
547 . 55 LYS HG2 H 1.460 0.005 2
548 . 55 LYS CD C 29.8 0.2 1
549 . 55 LYS HD3 H 1.620 0.005 2
550 . 55 LYS HD2 H 1.780 0.005 2
551 . 55 LYS CE C 43.3 0.2 1
552 . 55 LYS HE3 H 2.980 0.005 2
553 . 55 LYS HE2 H 3.090 0.005 2
554 . 56 VAL N N 113.6 0.2 1
555 . 56 VAL H H 8.710 0.005 1
556 . 56 VAL C C 172.3 0.2 1
557 . 56 VAL CA C 59.1 0.2 1
558 . 56 VAL HA H 4.852 0.005 1
559 . 56 VAL CB C 35.1 0.2 1
560 . 56 VAL HB H 2.615 0.005 1
561 . 56 VAL CG2 C 19.9 0.2 1
562 . 56 VAL HG2 H 0.960 0.005 1
563 . 56 VAL CG1 C 22.2 0.2 1
564 . 56 VAL HG1 H 1.030 0.005 1
565 . 57 LEU N N 122.5 0.2 1
566 . 57 LEU H H 8.162 0.005 1
567 . 57 LEU C C 173.6 0.2 1
568 . 57 LEU CA C 54.0 0.2 1
569 . 57 LEU HA H 4.615 0.005 1
570 . 57 LEU CB C 42.4 0.2 1
571 . 57 LEU HB3 H -0.890 0.005 2
572 . 57 LEU HB2 H 1.064 0.005 2
573 . 57 LEU CG C 26.7 0.2 1
574 . 57 LEU HG H 1.130 0.005 1
575 . 57 LEU CD1 C 23.1 0.2 1
576 . 57 LEU HD1 H 0.430 0.005 1
577 . 57 LEU CD2 C 25.3 0.2 1
578 . 57 LEU HD2 H 0.370 0.005 1
579 . 58 ALA N N 129.3 0.2 1
580 . 58 ALA H H 9.262 0.005 1
581 . 58 ALA C C 176.6 0.2 1
582 . 58 ALA CA C 50.0 0.2 1
583 . 58 ALA HA H 4.955 0.005 1
584 . 58 ALA CB C 23.0 0.2 1
585 . 58 ALA HB H 1.113 0.005 1
586 . 59 VAL N N 123.8 0.2 1
587 . 59 VAL H H 9.169 0.005 1
588 . 59 VAL C C 175.0 0.2 1
589 . 59 VAL CA C 60.4 0.2 1
590 . 59 VAL HA H 4.329 0.005 1
591 . 59 VAL CB C 33.3 0.2 1
592 . 59 VAL HB H 1.391 0.005 1
593 . 59 VAL CG1 C 18.6 0.2 1
594 . 59 VAL HG1 H -0.390 0.005 1
595 . 59 VAL CG2 C 19.7 0.2 1
596 . 59 VAL HG2 H 0.160 0.005 1
597 . 60 THR N N 125.4 0.2 1
598 . 60 THR H H 8.833 0.005 1
599 . 60 THR C C 173.7 0.2 1
600 . 60 THR CA C 62.2 0.2 1
601 . 60 THR HA H 4.705 0.005 1
602 . 60 THR CB C 69.7 0.2 1
603 . 60 THR HB H 3.719 0.005 1
604 . 60 THR CG2 C 20.7 0.2 1
605 . 60 THR HG2 H 0.920 0.005 1
606 . 61 VAL N N 126.6 0.2 1
607 . 61 VAL H H 8.012 0.005 1
608 . 61 VAL C C 174.2 0.2 1
609 . 61 VAL CA C 63.1 0.2 1
610 . 61 VAL HA H 3.657 0.005 1
611 . 61 VAL CB C 31.1 0.2 1
612 . 61 VAL HB H 2.255 0.005 1
613 . 61 VAL CG2 C 21.1 0.2 1
614 . 61 VAL HG2 H 0.770 0.005 1
615 . 61 VAL CG1 C 21.8 0.2 1
616 . 61 VAL HG1 H 0.720 0.005 1
617 . 62 ASN N N 126.8 0.2 1
618 . 62 ASN H H 8.276 0.005 1
619 . 62 ASN C C 174.1 0.2 1
620 . 62 ASN CA C 53.7 0.2 1
621 . 62 ASN HA H 4.995 0.005 1
622 . 62 ASN CB C 40.6 0.2 1
623 . 62 ASN HB3 H 2.106 0.005 2
624 . 62 ASN HB2 H 2.701 0.005 2
625 . 62 ASN ND2 N 112.1 0.2 1
626 . 62 ASN HD21 H 6.440 0.005 2
627 . 62 ASN HD22 H 7.650 0.005 2
628 . 63 GLY N N 108.6 0.2 1
629 . 63 GLY H H 7.616 0.005 1
630 . 63 GLY C C 171.3 0.2 1
631 . 63 GLY CA C 45.0 0.2 1
632 . 63 GLY HA3 H 4.010 0.005 2
633 . 63 GLY HA2 H 4.214 0.005 2
634 . 64 VAL N N 111.8 0.2 1
635 . 64 VAL H H 8.563 0.005 1
636 . 64 VAL C C 175.5 0.2 1
637 . 64 VAL CA C 59.8 0.2 1
638 . 64 VAL HA H 4.598 0.005 1
639 . 64 VAL CB C 33.8 0.2 1
640 . 64 VAL HB H 2.025 0.005 1
641 . 64 VAL CG2 C 17.4 0.2 1
642 . 64 VAL HG2 H 0.680 0.005 1
643 . 64 VAL CG1 C 21.9 0.2 1
644 . 64 VAL HG1 H 0.460 0.005 1
645 . 65 GLY N N 110.0 0.2 1
646 . 65 GLY H H 8.535 0.005 1
647 . 65 GLY C C 173.5 0.2 1
648 . 65 GLY CA C 44.0 0.2 1
649 . 65 GLY HA3 H 3.170 0.005 2
650 . 65 GLY HA2 H 4.311 0.005 2
651 . 66 ASN N N 122.4 0.2 1
652 . 66 ASN H H 8.314 0.005 1
653 . 66 ASN C C 175.2 0.2 1
654 . 66 ASN CA C 54.7 0.2 1
655 . 66 ASN HA H 4.472 0.005 1
656 . 66 ASN CB C 39.8 0.2 1
657 . 66 ASN HB3 H 2.590 0.005 1
658 . 66 ASN HB2 H 2.590 0.005 1
659 . 66 ASN ND2 N 112.1 0.2 1
660 . 66 ASN HD21 H 6.930 0.005 2
661 . 66 ASN HD22 H 7.620 0.005 2
662 . 67 ASN N N 116.8 0.2 1
663 . 67 ASN H H 8.708 0.005 1
664 . 67 ASN CA C 50.8 0.2 1
665 . 67 ASN HA H 4.750 0.005 1
666 . 67 ASN CB C 39.6 0.2 1
667 . 67 ASN HB3 H -0.330 0.005 2
668 . 67 ASN HB2 H 0.580 0.005 2
669 . 67 ASN ND2 N 117.4 0.2 1
670 . 67 ASN HD21 H 6.830 0.005 2
671 . 67 ASN HD22 H 8.030 0.005 2
672 . 68 PRO C C 176.5 0.2 1
673 . 68 PRO CA C 65.2 0.2 1
674 . 68 PRO HA H 3.837 0.005 1
675 . 68 PRO CB C 31.6 0.2 1
676 . 68 PRO HB3 H 1.452 0.005 2
677 . 68 PRO HB2 H 1.547 0.005 2
678 . 68 PRO CG C 28.0 0.2 1
679 . 68 PRO HG3 H 1.530 0.005 2
680 . 68 PRO HG2 H 2.060 0.005 2
681 . 68 PRO CD C 50.6 0.2 1
682 . 68 PRO HD3 H 2.950 0.005 2
683 . 68 PRO HD2 H 3.530 0.005 2
684 . 69 TRP N N 108.4 0.2 1
685 . 69 TRP H H 5.616 0.005 1
686 . 69 TRP C C 174.3 0.2 1
687 . 69 TRP CA C 57.8 0.2 1
688 . 69 TRP HA H 4.091 0.005 1
689 . 69 TRP CB C 25.5 0.2 1
690 . 69 TRP HB3 H 1.693 0.005 2
691 . 69 TRP HB2 H 3.373 0.005 2
692 . 69 TRP CD1 C 127.5 0.2 1
693 . 69 TRP HD1 H 6.900 0.005 1
694 . 69 TRP NE1 N 132.8 0.2 1
695 . 69 TRP HE1 H 10.170 0.005 1
696 . 69 TRP HE3 H 7.122 0.005 1
697 . 69 TRP CZ2 C 115.7 0.2 1
698 . 69 TRP HZ2 H 7.350 0.005 1
699 . 70 ASP N N 118.6 0.2 1
700 . 70 ASP H H 7.314 0.005 1
701 . 70 ASP C C 176.1 0.2 1
702 . 70 ASP CA C 56.9 0.2 1
703 . 70 ASP HA H 4.540 0.005 1
704 . 70 ASP CB C 41.2 0.2 1
705 . 70 ASP HB3 H 2.376 0.005 2
706 . 70 ASP HB2 H 2.471 0.005 2
707 . 71 ILE N N 114.7 0.2 1
708 . 71 ILE H H 6.675 0.005 1
709 . 71 ILE C C 174.1 0.2 1
710 . 71 ILE CA C 63.7 0.2 1
711 . 71 ILE HA H 4.686 0.005 1
712 . 71 ILE CB C 41.1 0.2 1
713 . 71 ILE HB H 1.565 0.005 1
714 . 71 ILE CG1 C 28.4 0.2 1
715 . 71 ILE HG13 H 1.090 0.005 2
716 . 71 ILE HG12 H 1.620 0.005 2
717 . 71 ILE CG2 C 18.5 0.2 1
718 . 71 ILE HG2 H 0.840 0.005 1
719 . 71 ILE CD1 C 16.1 0.2 1
720 . 71 ILE HD1 H 1.060 0.005 1
721 . 72 GLU N N 126.7 0.2 1
722 . 72 GLU H H 9.137 0.005 1
723 . 72 GLU C C 174.6 0.2 1
724 . 72 GLU CA C 55.1 0.2 1
725 . 72 GLU HA H 6.235 0.005 1
726 . 72 GLU CB C 35.1 0.2 1
727 . 72 GLU HB3 H 2.240 0.005 2
728 . 72 GLU HB2 H 2.370 0.005 2
729 . 72 GLU CG C 37.3 0.2 1
730 . 72 GLU HG3 H 2.390 0.005 2
731 . 72 GLU HG2 H 2.520 0.005 2
732 . 73 ALA N N 125.2 0.2 1
733 . 73 ALA H H 8.788 0.005 1
734 . 73 ALA C C 176.0 0.2 1
735 . 73 ALA CA C 51.9 0.2 1
736 . 73 ALA HA H 5.373 0.005 1
737 . 73 ALA CB C 22.3 0.2 1
738 . 73 ALA HB H 1.732 0.005 1
739 . 74 THR N N 121.9 0.2 1
740 . 74 THR H H 9.680 0.005 1
741 . 74 THR C C 173.7 0.2 1
742 . 74 THR CA C 60.3 0.2 1
743 . 74 THR HA H 5.327 0.005 1
744 . 74 THR CB C 71.2 0.2 1
745 . 74 THR HB H 4.262 0.005 1
746 . 74 THR CG2 C 24.5 0.2 1
747 . 74 THR HG2 H 0.950 0.005 1
748 . 75 ALA N N 133.9 0.2 1
749 . 75 ALA H H 7.382 0.005 1
750 . 75 ALA C C 175.8 0.2 1
751 . 75 ALA CA C 52.0 0.2 1
752 . 75 ALA HA H 3.822 0.005 1
753 . 75 ALA CB C 17.5 0.2 1
754 . 75 ALA HB H 0.425 0.005 1
755 . 76 PHE N N 124.6 0.2 1
756 . 76 PHE H H 8.247 0.005 1
757 . 76 PHE C C 171.5 0.2 1
758 . 76 PHE CA C 56.7 0.2 1
759 . 76 PHE HA H 4.393 0.005 1
760 . 76 PHE CB C 41.8 0.2 1
761 . 76 PHE HB3 H 2.460 0.005 2
762 . 76 PHE HB2 H 3.250 0.005 2
763 . 76 PHE CD1 C 132.6 0.2 1
764 . 76 PHE CD2 C 132.6 0.2 1
765 . 76 PHE HD1 H 7.370 0.005 1
766 . 76 PHE HD2 H 7.370 0.005 1
767 . 77 PRO C C 175.3 0.2 1
768 . 77 PRO CA C 63.0 0.2 1
769 . 77 PRO HA H 3.311 0.005 1
770 . 77 PRO CB C 35.2 0.2 1
771 . 77 PRO HB3 H 1.260 0.005 2
772 . 77 PRO HB2 H 1.540 0.005 2
773 . 77 PRO CG C 24.3 0.2 1
774 . 77 PRO HG3 H 1.620 0.005 2
775 . 77 PRO HG2 H 1.700 0.005 2
776 . 77 PRO CD C 49.5 0.2 1
777 . 77 PRO HD3 H 3.050 0.005 2
778 . 77 PRO HD2 H 3.380 0.005 2
779 . 78 VAL N N 120.1 0.2 1
780 . 78 VAL H H 7.179 0.005 1
781 . 78 VAL C C 174.7 0.2 1
782 . 78 VAL CA C 61.6 0.2 1
783 . 78 VAL HA H 4.080 0.005 1
784 . 78 VAL CB C 31.8 0.2 1
785 . 78 VAL HB H 1.769 0.005 1
786 . 78 VAL CG2 C 20.6 0.2 1
787 . 78 VAL HG2 H 0.500 0.005 1
788 . 78 VAL CG1 C 22.1 0.2 1
789 . 78 VAL HG1 H 0.360 0.005 1
790 . 79 ASN N N 128.0 0.2 1
791 . 79 ASN H H 8.248 0.005 1
792 . 79 ASN C C 173.9 0.2 1
793 . 79 ASN CA C 54.3 0.2 1
794 . 79 ASN HA H 5.247 0.005 1
795 . 79 ASN CB C 39.8 0.2 1
796 . 79 ASN HB3 H 2.650 0.005 2
797 . 79 ASN HB2 H 2.790 0.005 2
798 . 79 ASN ND2 N 112.1 0.2 1
799 . 79 ASN HD21 H 6.450 0.005 2
800 . 79 ASN HD22 H 7.570 0.005 2
801 . 80 VAL N N 116.6 0.2 1
802 . 80 VAL H H 8.708 0.005 1
803 . 80 VAL C C 174.4 0.2 1
804 . 80 VAL CA C 59.1 0.2 1
805 . 80 VAL HA H 4.787 0.005 1
806 . 80 VAL CB C 36.5 0.2 1
807 . 80 VAL HB H 1.978 0.005 1
808 . 80 VAL CG2 C 18.1 0.2 1
809 . 80 VAL HG2 H 0.560 0.005 1
810 . 80 VAL CG1 C 20.6 0.2 1
811 . 80 VAL HG1 H 0.020 0.005 1
812 . 81 ARG N N 118.8 0.2 1
813 . 81 ARG H H 8.151 0.005 1
814 . 81 ARG C C 173.6 0.2 1
815 . 81 ARG CA C 51.7 0.2 1
816 . 81 ARG HA H 4.994 0.005 1
817 . 81 ARG CB C 32.2 0.2 1
818 . 81 ARG HB3 H 1.620 0.005 2
819 . 81 ARG HB2 H 1.810 0.005 2
820 . 81 ARG CG C 26.6 0.2 1
821 . 81 ARG HG3 H 1.650 0.005 1
822 . 81 ARG HG2 H 1.650 0.005 1
823 . 81 ARG CD C 43.5 0.2 1
824 . 81 ARG HD3 H 3.200 0.005 1
825 . 81 ARG HD2 H 3.200 0.005 1
826 . 82 PRO C C 177.8 0.2 1
827 . 82 PRO CA C 63.9 0.2 1
828 . 82 PRO HA H 4.212 0.005 1
829 . 82 PRO CB C 32.8 0.2 1
830 . 82 PRO HB3 H 1.855 0.005 2
831 . 82 PRO HB2 H 2.688 0.005 2
832 . 82 PRO CG C 27.2 0.2 1
833 . 82 PRO HG3 H 1.840 0.005 2
834 . 82 PRO HG2 H 1.900 0.005 2
835 . 82 PRO CD C 51.4 0.2 1
836 . 82 PRO HD3 H 3.590 0.005 2
837 . 82 PRO HD2 H 3.800 0.005 2
838 . 83 GLY N N 111.7 0.2 1
839 . 83 GLY H H 8.854 0.005 1
840 . 83 GLY C C 173.8 0.2 1
841 . 83 GLY CA C 45.5 0.2 1
842 . 83 GLY HA3 H 3.667 0.005 2
843 . 83 GLY HA2 H 4.150 0.005 2
844 . 84 VAL N N 122.9 0.2 1
845 . 84 VAL H H 7.444 0.005 1
846 . 84 VAL C C 174.5 0.2 1
847 . 84 VAL CA C 62.6 0.2 1
848 . 84 VAL HA H 3.888 0.005 1
849 . 84 VAL CB C 32.6 0.2 1
850 . 84 VAL HB H 2.225 0.005 1
851 . 84 VAL CG1 C 21.2 0.2 1
852 . 84 VAL HG1 H 0.330 0.005 1
853 . 84 VAL CG2 C 24.1 0.2 1
854 . 84 VAL HG2 H 0.770 0.005 1
855 . 85 THR N N 123.0 0.2 1
856 . 85 THR H H 7.959 0.005 1
857 . 85 THR C C 172.5 0.2 1
858 . 85 THR CA C 62.3 0.2 1
859 . 85 THR HA H 4.673 0.005 1
860 . 85 THR CB C 69.7 0.2 1
861 . 85 THR HB H 3.689 0.005 1
862 . 85 THR CG2 C 21.8 0.2 1
863 . 85 THR HG2 H 0.930 0.005 1
864 . 86 TYR N N 126.0 0.2 1
865 . 86 TYR H H 8.849 0.005 1
866 . 86 TYR C C 174.9 0.2 1
867 . 86 TYR CA C 56.9 0.2 1
868 . 86 TYR HA H 4.381 0.005 1
869 . 86 TYR CB C 42.7 0.2 1
870 . 86 TYR HB3 H 1.095 0.005 2
871 . 86 TYR HB2 H 2.113 0.005 2
872 . 86 TYR CD1 C 133.0 0.2 1
873 . 86 TYR CD2 C 133.0 0.2 1
874 . 86 TYR HD1 H 6.370 0.005 1
875 . 86 TYR HD2 H 6.370 0.005 1
876 . 86 TYR CE1 C 117.8 0.2 1
877 . 86 TYR CE2 C 117.8 0.2 1
878 . 86 TYR HE1 H 6.720 0.005 1
879 . 86 TYR HE2 H 6.720 0.005 1
880 . 87 THR N N 113.9 0.2 1
881 . 87 THR H H 9.016 0.005 1
882 . 87 THR C C 172.4 0.2 1
883 . 87 THR CA C 62.0 0.2 1
884 . 87 THR HA H 4.523 0.005 1
885 . 87 THR CB C 70.1 0.2 1
886 . 87 THR HB H 3.975 0.005 1
887 . 87 THR CG2 C 22.2 0.2 1
888 . 87 THR HG2 H 1.130 0.005 1
889 . 88 TYR N N 130.7 0.2 1
890 . 88 TYR H H 9.187 0.005 1
891 . 88 TYR C C 175.2 0.2 1
892 . 88 TYR CA C 56.1 0.2 1
893 . 88 TYR HA H 4.752 0.005 1
894 . 88 TYR CB C 41.0 0.2 1
895 . 88 TYR HB3 H 1.807 0.005 2
896 . 88 TYR HB2 H 2.349 0.005 2
897 . 88 TYR CD1 C 133.0 0.2 1
898 . 88 TYR CD2 C 133.0 0.2 1
899 . 88 TYR HD1 H 6.450 0.005 1
900 . 88 TYR HD2 H 6.450 0.005 1
901 . 88 TYR CE1 C 117.5 0.2 1
902 . 88 TYR CE2 C 117.5 0.2 1
903 . 88 TYR HE1 H 6.430 0.005 1
904 . 88 TYR HE2 H 6.430 0.005 1
905 . 89 THR N N 125.9 0.2 1
906 . 89 THR H H 8.221 0.005 1
907 . 89 THR C C 170.7 0.2 1
908 . 89 THR CA C 61.9 0.2 1
909 . 89 THR HA H 5.388 0.005 1
910 . 89 THR CB C 71.6 0.2 1
911 . 89 THR HB H 3.910 0.005 1
912 . 89 THR CG2 C 21.2 0.2 1
913 . 89 THR HG2 H 1.060 0.005 1
914 . 90 ILE N N 124.2 0.2 1
915 . 90 ILE H H 8.634 0.005 1
916 . 90 ILE C C 171.3 0.2 1
917 . 90 ILE CA C 61.1 0.2 1
918 . 90 ILE HA H 4.617 0.005 1
919 . 90 ILE CB C 42.4 0.2 1
920 . 90 ILE HB H 1.720 0.005 1
921 . 90 ILE CG1 C 29.0 0.2 1
922 . 90 ILE HG13 H 1.720 0.005 2
923 . 90 ILE HG12 H 2.030 0.005 2
924 . 90 ILE CG2 C 16.6 0.2 1
925 . 90 ILE HG2 H 0.580 0.005 1
926 . 90 ILE CD1 C 17.0 0.2 1
927 . 90 ILE HD1 H 1.460 0.005 1
928 . 91 TRP N N 123.7 0.2 1
929 . 91 TRP H H 8.813 0.005 1
930 . 91 TRP C C 176.7 0.2 1
931 . 91 TRP CA C 56.8 0.2 1
932 . 91 TRP HA H 5.749 0.005 1
933 . 91 TRP CB C 31.7 0.2 1
934 . 91 TRP HB2 H 3.071 0.005 1
935 . 91 TRP HB3 H 3.398 0.005 1
936 . 91 TRP CD1 C 125.9 0.2 1
937 . 91 TRP HD1 H 7.110 0.005 1
938 . 91 TRP NE1 N 129.3 0.2 1
939 . 91 TRP HE1 H 10.080 0.005 1
940 . 91 TRP CZ2 C 114.6 0.2 1
941 . 91 TRP HZ2 H 7.410 0.005 1
942 . 92 ALA N N 120.3 0.2 1
943 . 92 ALA H H 9.256 0.005 1
944 . 92 ALA C C 177.0 0.2 1
945 . 92 ALA CA C 52.3 0.2 1
946 . 92 ALA HA H 6.485 0.005 1
947 . 92 ALA CB C 24.3 0.2 1
948 . 92 ALA HB H 1.867 0.005 1
949 . 93 ARG N N 119.7 0.2 1
950 . 93 ARG H H 8.921 0.005 1
951 . 93 ARG C C 172.2 0.2 1
952 . 93 ARG CA C 55.5 0.2 1
953 . 93 ARG HA H 4.869 0.005 1
954 . 93 ARG CB C 33.5 0.2 1
955 . 93 ARG HB3 H 0.818 0.005 2
956 . 93 ARG HB2 H 1.044 0.005 2
957 . 93 ARG CG C 26.1 0.2 1
958 . 93 ARG HG3 H -0.380 0.005 2
959 . 93 ARG HG2 H 0.430 0.005 2
960 . 93 ARG CD C 41.5 0.2 1
961 . 93 ARG HD3 H 1.290 0.005 2
962 . 93 ARG HD2 H 1.840 0.005 2
963 . 93 ARG NE N 83.3 0.2 1
964 . 93 ARG HE H 6.120 0.005 1
965 . 94 ALA N N 122.9 0.2 1
966 . 94 ALA H H 8.584 0.005 1
967 . 94 ALA C C 175.6 0.2 1
968 . 94 ALA CA C 50.2 0.2 1
969 . 94 ALA HA H 5.416 0.005 1
970 . 94 ALA CB C 22.8 0.2 1
971 . 94 ALA HB H 1.242 0.005 1
972 . 95 GLU N N 119.4 0.2 1
973 . 95 GLU H H 8.671 0.005 1
974 . 95 GLU C C 177.2 0.2 1
975 . 95 GLU CA C 58.5 0.2 1
976 . 95 GLU HA H 4.124 0.005 1
977 . 95 GLU CB C 31.0 0.2 1
978 . 95 GLU HB3 H 2.300 0.005 2
979 . 95 GLU HB2 H 2.380 0.005 2
980 . 95 GLU CG C 35.7 0.2 1
981 . 95 GLU HG3 H 2.450 0.005 1
982 . 95 GLU HG2 H 2.450 0.005 1
983 . 96 GLN N N 114.2 0.2 1
984 . 96 GLN H H 8.307 0.005 1
985 . 96 GLN C C 175.3 0.2 1
986 . 96 GLN CA C 53.3 0.2 1
987 . 96 GLN HA H 4.582 0.005 1
988 . 96 GLN CB C 31.4 0.2 1
989 . 96 GLN HB3 H 1.762 0.005 2
990 . 96 GLN HB2 H 2.092 0.005 2
991 . 96 GLN CG C 33.5 0.2 1
992 . 96 GLN HG3 H 2.260 0.005 2
993 . 96 GLN HG2 H 2.350 0.005 2
994 . 96 GLN NE2 N 111.0 0.2 1
995 . 96 GLN HE21 H 6.640 0.005 2
996 . 96 GLN HE22 H 7.400 0.005 2
997 . 97 ASP N N 120.8 0.2 1
998 . 97 ASP H H 8.450 0.005 1
999 . 97 ASP C C 176.9 0.2 1
1000 . 97 ASP CA C 55.9 0.2 1
1001 . 97 ASP HA H 4.431 0.005 1
1002 . 97 ASP CB C 41.9 0.2 1
1003 . 97 ASP HB3 H 2.590 0.005 2
1004 . 97 ASP HB2 H 2.660 0.005 2
1005 . 98 GLY N N 108.0 0.2 1
1006 . 98 GLY H H 8.367 0.005 1
1007 . 98 GLY C C 174.6 0.2 1
1008 . 98 GLY CA C 45.7 0.2 1
1009 . 98 GLY HA3 H 3.638 0.005 2
1010 . 98 GLY HA2 H 4.239 0.005 2
1011 . 99 ALA N N 121.5 0.2 1
1012 . 99 ALA H H 6.909 0.005 1
1013 . 99 ALA C C 176.2 0.2 1
1014 . 99 ALA CA C 51.6 0.2 1
1015 . 99 ALA HA H 4.630 0.005 1
1016 . 99 ALA CB C 20.2 0.2 1
1017 . 99 ALA HB H 1.154 0.005 1
1018 . 100 VAL N N 121.3 0.2 1
1019 . 100 VAL H H 9.299 0.005 1
1020 . 100 VAL C C 174.4 0.2 1
1021 . 100 VAL CA C 60.6 0.2 1
1022 . 100 VAL HA H 4.692 0.005 1
1023 . 100 VAL CB C 35.4 0.2 1
1024 . 100 VAL HB H 1.078 0.005 1
1025 . 100 VAL CG1 C 19.6 0.2 1
1026 . 100 VAL HG1 H -0.290 0.005 1
1027 . 100 VAL CG2 C 20.6 0.2 1
1028 . 100 VAL HG2 H 0.440 0.005 1
1029 . 101 VAL N N 121.8 0.2 1
1030 . 101 VAL H H 7.948 0.005 1
1031 . 101 VAL C C 175.5 0.2 1
1032 . 101 VAL CA C 60.0 0.2 1
1033 . 101 VAL HA H 4.491 0.005 1
1034 . 101 VAL CB C 37.4 0.2 1
1035 . 101 VAL HB H 1.093 0.005 1
1036 . 101 VAL CG1 C 23.2 0.2 1
1037 . 101 VAL HG1 H -0.200 0.005 1
1038 . 101 VAL CG2 C 23.6 0.2 1
1039 . 101 VAL HG2 H 0.490 0.005 1
1040 . 102 SER N N 117.2 0.2 1
1041 . 102 SER H H 7.366 0.005 1
1042 . 102 SER C C 171.5 0.2 1
1043 . 102 SER CA C 57.7 0.2 1
1044 . 102 SER HA H 5.138 0.005 1
1045 . 102 SER CB C 65.1 0.2 1
1046 . 102 SER HB3 H 3.648 0.005 2
1047 . 102 SER HB2 H 3.853 0.005 2
1048 . 103 PHE N N 124.9 0.2 1
1049 . 103 PHE H H 8.123 0.005 1
1050 . 103 PHE C C 174.4 0.2 1
1051 . 103 PHE CA C 57.1 0.2 1
1052 . 103 PHE HA H 4.629 0.005 1
1053 . 103 PHE CB C 39.3 0.2 1
1054 . 103 PHE HB2 H 2.713 0.005 1
1055 . 103 PHE HB3 H 3.511 0.005 1
1056 . 103 PHE CD1 C 132.5 0.2 1
1057 . 103 PHE CD2 C 132.5 0.2 1
1058 . 103 PHE HD1 H 7.230 0.005 1
1059 . 103 PHE HD2 H 7.230 0.005 1
1060 . 103 PHE CE1 C 130.7 0.2 1
1061 . 103 PHE CE2 C 130.7 0.2 1
1062 . 103 PHE HE1 H 6.580 0.005 1
1063 . 103 PHE HE2 H 6.580 0.005 1
1064 . 103 PHE CZ C 128.8 0.2 1
1065 . 103 PHE HZ H 6.450 0.005 1
1066 . 104 THR N N 113.6 0.2 1
1067 . 104 THR H H 7.822 0.005 1
1068 . 104 THR C C 173.0 0.2 1
1069 . 104 THR CA C 60.6 0.2 1
1070 . 104 THR HA H 5.152 0.005 1
1071 . 104 THR CB C 72.4 0.2 1
1072 . 104 THR HB H 3.911 0.005 1
1073 . 104 THR CG2 C 19.7 0.2 1
1074 . 104 THR HG2 H 0.630 0.005 1
1075 . 105 VAL N N 113.7 0.2 1
1076 . 105 VAL H H 7.900 0.005 1
1077 . 105 VAL C C 175.1 0.2 1
1078 . 105 VAL CA C 61.1 0.2 1
1079 . 105 VAL HA H 4.918 0.005 1
1080 . 105 VAL CB C 35.9 0.2 1
1081 . 105 VAL HB H 1.490 0.005 1
1082 . 105 VAL CG2 C 20.4 0.2 1
1083 . 105 VAL HG2 H 0.320 0.005 1
1084 . 105 VAL CG1 C 21.9 0.2 1
1085 . 105 VAL HG1 H 0.470 0.005 1
1086 . 106 GLY N N 112.5 0.2 1
1087 . 106 GLY H H 9.055 0.005 1
1088 . 106 GLY C C 171.1 0.2 1
1089 . 106 GLY CA C 47.2 0.2 1
1090 . 106 GLY HA3 H 4.163 0.005 2
1091 . 106 GLY HA2 H 4.448 0.005 2
1092 . 107 ASN N N 114.9 0.2 1
1093 . 107 ASN H H 8.139 0.005 1
1094 . 107 ASN C C 178.5 0.2 1
1095 . 107 ASN CA C 50.5 0.2 1
1096 . 107 ASN HA H 5.016 0.005 1
1097 . 107 ASN CB C 40.0 0.2 1
1098 . 107 ASN HB3 H 3.576 0.005 2
1099 . 107 ASN HB2 H 3.873 0.005 2
1100 . 107 ASN ND2 N 113.1 0.2 1
1101 . 107 ASN HD21 H 6.990 0.005 2
1102 . 107 ASN HD22 H 7.750 0.005 2
1103 . 108 GLN N N 117.6 0.2 1
1104 . 108 GLN H H 9.754 0.005 1
1105 . 108 GLN C C 175.4 0.2 1
1106 . 108 GLN CA C 58.8 0.2 1
1107 . 108 GLN HA H 3.662 0.005 1
1108 . 108 GLN CB C 29.5 0.2 1
1109 . 108 GLN HB3 H 2.050 0.005 2
1110 . 108 GLN HB2 H 2.211 0.005 2
1111 . 108 GLN CG C 36.2 0.2 1
1112 . 108 GLN HG3 H 1.950 0.005 2
1113 . 108 GLN HG2 H 2.570 0.005 2
1114 . 108 GLN NE2 N 112.5 0.2 1
1115 . 108 GLN HE21 H 7.240 0.005 2
1116 . 108 GLN HE22 H 7.610 0.005 2
1117 . 109 SER N N 114.2 0.2 1
1118 . 109 SER H H 7.556 0.005 1
1119 . 109 SER C C 173.3 0.2 1
1120 . 109 SER CA C 57.9 0.2 1
1121 . 109 SER HA H 4.260 0.005 1
1122 . 109 SER CB C 62.7 0.2 1
1123 . 109 SER HB3 H 3.721 0.005 2
1124 . 109 SER HB2 H 3.895 0.005 2
1125 . 110 PHE N N 112.2 0.2 1
1126 . 110 PHE H H 7.527 0.005 1
1127 . 110 PHE C C 175.3 0.2 1
1128 . 110 PHE CA C 59.2 0.2 1
1129 . 110 PHE HA H 3.930 0.005 1
1130 . 110 PHE CB C 34.7 0.2 1
1131 . 110 PHE HB3 H 3.115 0.005 2
1132 . 110 PHE HB2 H 3.222 0.005 2
1133 . 110 PHE CD1 C 131.3 0.2 1
1134 . 110 PHE CD2 C 131.3 0.2 1
1135 . 110 PHE HD1 H 6.950 0.005 1
1136 . 110 PHE HD2 H 6.950 0.005 1
1137 . 110 PHE CE1 C 131.3 0.2 1
1138 . 110 PHE CE2 C 131.3 0.2 1
1139 . 110 PHE HE1 H 7.120 0.005 1
1140 . 110 PHE HE2 H 7.120 0.005 1
1141 . 111 GLN N N 120.4 0.2 1
1142 . 111 GLN H H 7.613 0.005 1
1143 . 111 GLN C C 175.1 0.2 1
1144 . 111 GLN CA C 54.9 0.2 1
1145 . 111 GLN HA H 4.273 0.005 1
1146 . 111 GLN CB C 28.5 0.2 1
1147 . 111 GLN HB3 H 1.770 0.005 2
1148 . 111 GLN HB2 H 1.810 0.005 2
1149 . 111 GLN CG C 33.5 0.2 1
1150 . 111 GLN HG3 H 2.140 0.005 2
1151 . 111 GLN HG2 H 2.190 0.005 2
1152 . 111 GLN NE2 N 112.1 0.2 1
1153 . 111 GLN HE21 H 6.740 0.005 2
1154 . 111 GLN HE22 H 7.320 0.005 2
1155 . 112 GLU N N 124.3 0.2 1
1156 . 112 GLU H H 8.456 0.005 1
1157 . 112 GLU C C 177.5 0.2 1
1158 . 112 GLU CA C 56.5 0.2 1
1159 . 112 GLU HA H 4.551 0.005 1
1160 . 112 GLU CB C 32.6 0.2 1
1161 . 112 GLU HB3 H 1.820 0.005 2
1162 . 112 GLU HB2 H 1.900 0.005 2
1163 . 112 GLU CG C 37.9 0.2 1
1164 . 112 GLU HG3 H 2.030 0.005 2
1165 . 112 GLU HG2 H 2.400 0.005 2
1166 . 113 TYR N N 122.5 0.2 1
1167 . 113 TYR H H 8.945 0.005 1
1168 . 113 TYR C C 176.6 0.2 1
1169 . 113 TYR CA C 58.5 0.2 1
1170 . 113 TYR HA H 4.900 0.005 1
1171 . 113 TYR CB C 40.3 0.2 1
1172 . 113 TYR HB2 H 2.290 0.005 1
1173 . 113 TYR HB3 H 3.590 0.005 1
1174 . 113 TYR CD1 C 132.3 0.2 1
1175 . 113 TYR CD2 C 132.3 0.2 1
1176 . 113 TYR HD1 H 7.040 0.005 1
1177 . 113 TYR HD2 H 7.040 0.005 1
1178 . 113 TYR CE1 C 118.2 0.2 1
1179 . 113 TYR CE2 C 118.2 0.2 1
1180 . 113 TYR HE1 H 6.680 0.005 1
1181 . 113 TYR HE2 H 6.680 0.005 1
1182 . 114 GLY N N 104.5 0.2 1
1183 . 114 GLY H H 7.437 0.005 1
1184 . 114 GLY C C 169.7 0.2 1
1185 . 114 GLY CA C 45.6 0.2 1
1186 . 114 GLY HA3 H 4.160 0.005 2
1187 . 114 GLY HA2 H 4.282 0.005 2
1188 . 115 ARG N N 112.2 0.2 1
1189 . 115 ARG H H 7.842 0.005 1
1190 . 115 ARG C C 174.4 0.2 1
1191 . 115 ARG CA C 55.1 0.2 1
1192 . 115 ARG HA H 4.490 0.005 1
1193 . 115 ARG CB C 34.5 0.2 1
1194 . 115 ARG HB3 H 1.009 0.005 2
1195 . 115 ARG HB2 H 2.063 0.005 2
1196 . 115 ARG CG C 23.5 0.2 1
1197 . 115 ARG HG3 H 1.100 0.005 2
1198 . 115 ARG HG2 H 1.540 0.005 2
1199 . 115 ARG CD C 45.8 0.2 1
1200 . 115 ARG HD3 H 2.980 0.005 2
1201 . 115 ARG HD2 H 3.390 0.005 2
1202 . 115 ARG NE N 85.2 0.2 1
1203 . 115 ARG HE H 8.820 0.005 1
1204 . 116 LEU N N 119.9 0.2 1
1205 . 116 LEU H H 8.290 0.005 1
1206 . 116 LEU C C 175.5 0.2 1
1207 . 116 LEU CA C 54.4 0.2 1
1208 . 116 LEU HA H 4.450 0.005 1
1209 . 116 LEU CB C 44.2 0.2 1
1210 . 116 LEU HB3 H 1.442 0.005 2
1211 . 116 LEU HB2 H 1.559 0.005 2
1212 . 116 LEU CG C 26.4 0.2 1
1213 . 116 LEU HG H 1.350 0.005 1
1214 . 116 LEU CD2 C 24.0 0.2 1
1215 . 116 LEU HD2 H 1.060 0.005 1
1216 . 116 LEU CD1 C 26.2 0.2 1
1217 . 116 LEU HD1 H 1.070 0.005 1
1218 . 117 HIS N N 125.1 0.2 1
1219 . 117 HIS H H 8.771 0.005 1
1220 . 117 HIS C C 174.7 0.2 1
1221 . 117 HIS CA C 57.2 0.2 1
1222 . 117 HIS HA H 4.318 0.005 1
1223 . 117 HIS CB C 34.1 0.2 1
1224 . 117 HIS HB3 H 2.578 0.005 2
1225 . 117 HIS HB2 H 3.140 0.005 2
1226 . 117 HIS CD2 C 117.8 0.2 1
1227 . 117 HIS HD2 H 6.880 0.005 1
1228 . 117 HIS CE1 C 140.0 0.2 1
1229 . 117 HIS HE1 H 7.810 0.005 1
1230 . 118 GLU N N 127.7 0.2 1
1231 . 118 GLU H H 8.818 0.005 1
1232 . 118 GLU C C 174.7 0.2 1
1233 . 118 GLU CA C 57.3 0.2 1
1234 . 118 GLU HA H 2.420 0.005 1
1235 . 118 GLU CB C 28.2 0.2 1
1236 . 118 GLU HB3 H 1.140 0.005 2
1237 . 118 GLU HB2 H 1.350 0.005 2
1238 . 118 GLU CG C 35.1 0.2 1
1239 . 118 GLU HG3 H 0.700 0.005 2
1240 . 118 GLU HG2 H 1.100 0.005 2
1241 . 119 GLN N N 118.2 0.2 1
1242 . 119 GLN H H 8.262 0.005 1
1243 . 119 GLN C C 175.1 0.2 1
1244 . 119 GLN CA C 54.6 0.2 1
1245 . 119 GLN HA H 4.048 0.005 1
1246 . 119 GLN CB C 30.2 0.2 1
1247 . 119 GLN HB3 H 1.748 0.005 2
1248 . 119 GLN HB2 H 2.031 0.005 2
1249 . 119 GLN CG C 35.6 0.2 1
1250 . 119 GLN HG3 H 1.920 0.005 2
1251 . 119 GLN HG2 H 2.030 0.005 2
1252 . 119 GLN NE2 N 116.6 0.2 1
1253 . 119 GLN HE21 H 7.140 0.005 2
1254 . 119 GLN HE22 H 7.190 0.005 2
1255 . 120 GLN N N 121.8 0.2 1
1256 . 120 GLN H H 8.258 0.005 1
1257 . 120 GLN C C 175.2 0.2 1
1258 . 120 GLN CA C 55.4 0.2 1
1259 . 120 GLN HA H 4.698 0.005 1
1260 . 120 GLN CB C 29.0 0.2 1
1261 . 120 GLN HB3 H 2.031 0.005 2
1262 . 120 GLN HB2 H 2.060 0.005 2
1263 . 120 GLN CG C 34.3 0.2 1
1264 . 120 GLN HG3 H 2.250 0.005 2
1265 . 120 GLN HG2 H 2.390 0.005 2
1266 . 120 GLN NE2 N 112.0 0.2 1
1267 . 120 GLN HE21 H 6.640 0.005 2
1268 . 120 GLN HE22 H 7.480 0.005 2
1269 . 121 ILE N N 126.3 0.2 1
1270 . 121 ILE H H 8.578 0.005 1
1271 . 121 ILE C C 176.2 0.2 1
1272 . 121 ILE CA C 58.9 0.2 1
1273 . 121 ILE HA H 4.486 0.005 1
1274 . 121 ILE CB C 37.0 0.2 1
1275 . 121 ILE HB H 1.913 0.005 1
1276 . 121 ILE CG1 C 27.4 0.2 1
1277 . 121 ILE HG13 H 0.960 0.005 2
1278 . 121 ILE HG12 H 1.470 0.005 2
1279 . 121 ILE CG2 C 18.7 0.2 1
1280 . 121 ILE HG2 H 1.070 0.005 1
1281 . 121 ILE CD1 C 10.7 0.2 1
1282 . 121 ILE HD1 H 0.420 0.005 1
1283 . 122 THR N N 117.9 0.2 1
1284 . 122 THR H H 8.780 0.005 1
1285 . 122 THR C C 174.6 0.2 1
1286 . 122 THR CA C 59.9 0.2 1
1287 . 122 THR HA H 5.236 0.005 1
1288 . 122 THR CB C 71.3 0.2 1
1289 . 122 THR HB H 4.836 0.005 1
1290 . 122 THR CG2 C 21.4 0.2 1
1291 . 122 THR HG2 H 1.310 0.005 1
1292 . 123 THR N N 106.0 0.2 1
1293 . 123 THR H H 8.141 0.005 1
1294 . 123 THR C C 175.6 0.2 1
1295 . 123 THR CA C 62.6 0.2 1
1296 . 123 THR HA H 5.185 0.005 1
1297 . 123 THR CB C 69.6 0.2 1
1298 . 123 THR HB H 4.535 0.005 1
1299 . 123 THR CG2 C 21.8 0.2 1
1300 . 123 THR HG2 H 1.160 0.005 1
1301 . 124 GLU N N 122.6 0.2 1
1302 . 124 GLU H H 8.017 0.005 1
1303 . 124 GLU C C 175.5 0.2 1
1304 . 124 GLU CA C 54.1 0.2 1
1305 . 124 GLU HA H 4.699 0.005 1
1306 . 124 GLU CB C 32.1 0.2 1
1307 . 124 GLU HB3 H 1.895 0.005 2
1308 . 124 GLU HB2 H 2.101 0.005 2
1309 . 124 GLU CG C 36.0 0.2 1
1310 . 124 GLU HG3 H 2.320 0.005 1
1311 . 124 GLU HG2 H 2.320 0.005 1
1312 . 125 TRP N N 121.4 0.2 1
1313 . 125 TRP H H 8.614 0.005 1
1314 . 125 TRP C C 177.5 0.2 1
1315 . 125 TRP CA C 59.3 0.2 1
1316 . 125 TRP HA H 4.606 0.005 1
1317 . 125 TRP CB C 30.3 0.2 1
1318 . 125 TRP HB3 H 3.250 0.005 2
1319 . 125 TRP HB2 H 3.360 0.005 2
1320 . 125 TRP CD1 C 128.4 0.2 1
1321 . 125 TRP HD1 H 7.340 0.005 1
1322 . 125 TRP NE1 N 130.4 0.2 1
1323 . 125 TRP HE1 H 9.600 0.005 1
1324 . 125 TRP CE3 C 119.7 0.2 1
1325 . 125 TRP HE3 H 7.440 0.005 1
1326 . 125 TRP CZ2 C 114.8 0.2 1
1327 . 125 TRP HZ2 H 7.230 0.005 1
1328 . 125 TRP CZ3 C 122.3 0.2 1
1329 . 125 TRP HZ3 H 7.120 0.005 1
1330 . 125 TRP CH2 C 124.6 0.2 1
1331 . 125 TRP HH2 H 6.810 0.005 1
1332 . 126 GLN N N 121.9 0.2 1
1333 . 126 GLN H H 8.577 0.005 1
1334 . 126 GLN C C 172.0 0.2 1
1335 . 126 GLN CA C 53.2 0.2 1
1336 . 126 GLN HA H 5.030 0.005 1
1337 . 126 GLN CB C 33.2 0.2 1
1338 . 126 GLN HB3 H 1.820 0.005 2
1339 . 126 GLN HB2 H 2.040 0.005 2
1340 . 126 GLN CG C 34.8 0.2 1
1341 . 126 GLN HG3 H 2.290 0.005 2
1342 . 126 GLN HG2 H 2.390 0.005 2
1343 . 126 GLN NE2 N 112.4 0.2 1
1344 . 126 GLN HE21 H 7.120 0.005 2
1345 . 126 GLN HE22 H 7.870 0.005 2
1346 . 127 PRO C C 176.3 0.2 1
1347 . 127 PRO CA C 60.2 0.2 1
1348 . 127 PRO HA H 4.601 0.005 1
1349 . 127 PRO CB C 30.3 0.2 1
1350 . 127 PRO HB3 H 0.040 0.005 2
1351 . 127 PRO HB2 H 1.038 0.005 2
1352 . 127 PRO CG C 25.4 0.2 1
1353 . 127 PRO HG3 H 1.420 0.005 2
1354 . 127 PRO HG2 H 1.730 0.005 2
1355 . 127 PRO CD C 49.4 0.2 1
1356 . 127 PRO HD3 H 3.270 0.005 2
1357 . 127 PRO HD2 H 3.430 0.005 2
1358 . 128 PHE N N 122.5 0.2 1
1359 . 128 PHE H H 9.208 0.005 1
1360 . 128 PHE C C 174.7 0.2 1
1361 . 128 PHE CA C 57.8 0.2 1
1362 . 128 PHE HA H 4.532 0.005 1
1363 . 128 PHE CB C 41.1 0.2 1
1364 . 128 PHE HB2 H 2.263 0.005 1
1365 . 128 PHE HB3 H 2.578 0.005 1
1366 . 128 PHE CD1 C 132.0 0.2 1
1367 . 128 PHE CD2 C 132.0 0.2 1
1368 . 128 PHE HD1 H 7.200 0.005 1
1369 . 128 PHE HD2 H 7.200 0.005 1
1370 . 128 PHE CE1 C 131.7 0.2 1
1371 . 128 PHE CE2 C 131.7 0.2 1
1372 . 128 PHE HE1 H 7.520 0.005 1
1373 . 128 PHE HE2 H 7.520 0.005 1
1374 . 128 PHE CZ C 129.7 0.2 1
1375 . 128 PHE HZ H 7.460 0.005 1
1376 . 129 THR N N 115.3 0.2 1
1377 . 129 THR H H 8.336 0.005 1
1378 . 129 THR C C 173.0 0.2 1
1379 . 129 THR CA C 58.8 0.2 1
1380 . 129 THR HA H 6.213 0.005 1
1381 . 129 THR CB C 72.4 0.2 1
1382 . 129 THR HB H 3.970 0.005 1
1383 . 129 THR CG2 C 20.0 0.2 1
1384 . 129 THR HG2 H 1.160 0.005 1
1385 . 130 PHE N N 121.1 0.2 1
1386 . 130 PHE H H 8.968 0.005 1
1387 . 130 PHE C C 171.8 0.2 1
1388 . 130 PHE CA C 57.1 0.2 1
1389 . 130 PHE HA H 4.972 0.005 1
1390 . 130 PHE CB C 39.9 0.2 1
1391 . 130 PHE HB3 H 3.240 0.005 2
1392 . 130 PHE HB2 H 3.406 0.005 2
1393 . 130 PHE CD1 C 132.2 0.2 1
1394 . 130 PHE CD2 C 132.2 0.2 1
1395 . 130 PHE HD1 H 6.890 0.005 1
1396 . 130 PHE HD2 H 6.890 0.005 1
1397 . 130 PHE CE1 C 129.8 0.2 1
1398 . 130 PHE CE2 C 129.8 0.2 1
1399 . 130 PHE HE1 H 5.920 0.005 1
1400 . 130 PHE HE2 H 5.920 0.005 1
1401 . 130 PHE CZ C 127.9 0.2 1
1402 . 130 PHE HZ H 6.040 0.005 1
1403 . 131 GLU N N 118.2 0.2 1
1404 . 131 GLU H H 8.462 0.005 1
1405 . 131 GLU C C 175.7 0.2 1
1406 . 131 GLU CA C 54.3 0.2 1
1407 . 131 GLU HA H 5.529 0.005 1
1408 . 131 GLU CB C 33.4 0.2 1
1409 . 131 GLU HB3 H 1.850 0.005 2
1410 . 131 GLU HB2 H 1.890 0.005 2
1411 . 131 GLU CG C 36.3 0.2 1
1412 . 131 GLU HG3 H 2.180 0.005 1
1413 . 131 GLU HG2 H 2.180 0.005 1
1414 . 132 PHE N N 116.9 0.2 1
1415 . 132 PHE H H 8.743 0.005 1
1416 . 132 PHE C C 171.5 0.2 1
1417 . 132 PHE CA C 56.4 0.2 1
1418 . 132 PHE HA H 5.229 0.005 1
1419 . 132 PHE CB C 41.8 0.2 1
1420 . 132 PHE HB3 H 2.950 0.005 2
1421 . 132 PHE HB2 H 2.990 0.005 2
1422 . 132 PHE CD1 C 132.5 0.2 1
1423 . 132 PHE CD2 C 132.5 0.2 1
1424 . 132 PHE HD1 H 6.590 0.005 1
1425 . 132 PHE HD2 H 6.590 0.005 1
1426 . 132 PHE CZ C 129.0 0.2 1
1427 . 132 PHE HZ H 6.480 0.005 1
1428 . 133 THR N N 117.4 0.2 1
1429 . 133 THR H H 8.829 0.005 1
1430 . 133 THR C C 174.1 0.2 1
1431 . 133 THR CA C 61.2 0.2 1
1432 . 133 THR HA H 4.905 0.005 1
1433 . 133 THR CB C 71.5 0.2 1
1434 . 133 THR HB H 3.776 0.005 1
1435 . 133 THR CG2 C 20.7 0.2 1
1436 . 133 THR HG2 H 0.870 0.005 1
1437 . 134 VAL N N 126.3 0.2 1
1438 . 134 VAL H H 7.852 0.005 1
1439 . 134 VAL C C 175.6 0.2 1
1440 . 134 VAL CA C 63.4 0.2 1
1441 . 134 VAL HA H 3.216 0.005 1
1442 . 134 VAL CB C 30.4 0.2 1
1443 . 134 VAL HB H 2.284 0.005 1
1444 . 134 VAL CG1 C 20.6 0.2 1
1445 . 134 VAL HG1 H 0.970 0.005 1
1446 . 134 VAL CG2 C 21.9 0.2 1
1447 . 134 VAL HG2 H 0.720 0.005 1
1448 . 135 SER N N 122.9 0.2 1
1449 . 135 SER H H 7.283 0.005 1
1450 . 135 SER C C 173.4 0.2 1
1451 . 135 SER CA C 58.4 0.2 1
1452 . 135 SER HA H 4.513 0.005 1
1453 . 135 SER CB C 63.8 0.2 1
1454 . 135 SER HB3 H 3.842 0.005 2
1455 . 135 SER HB2 H 4.310 0.005 2
1456 . 136 ASP N N 124.3 0.2 1
1457 . 136 ASP H H 7.838 0.005 1
1458 . 136 ASP C C 175.3 0.2 1
1459 . 136 ASP CA C 52.4 0.2 1
1460 . 136 ASP HA H 4.904 0.005 1
1461 . 136 ASP CB C 40.7 0.2 1
1462 . 136 ASP HB3 H 2.812 0.005 2
1463 . 136 ASP HB2 H 3.237 0.005 2
1464 . 137 GLN N N 114.7 0.2 1
1465 . 137 GLN H H 8.071 0.005 1
1466 . 137 GLN C C 176.0 0.2 1
1467 . 137 GLN CA C 54.9 0.2 1
1468 . 137 GLN HA H 4.514 0.005 1
1469 . 137 GLN CB C 28.2 0.2 1
1470 . 137 GLN HB3 H 1.929 0.005 2
1471 . 137 GLN HB2 H 2.423 0.005 2
1472 . 137 GLN CG C 34.0 0.2 1
1473 . 137 GLN HG3 H 2.340 0.005 1
1474 . 137 GLN HG2 H 2.340 0.005 1
1475 . 137 GLN NE2 N 112.4 0.2 1
1476 . 137 GLN HE21 H 6.720 0.005 2
1477 . 137 GLN HE22 H 7.480 0.005 2
1478 . 138 GLU N N 120.5 0.2 1
1479 . 138 GLU H H 7.042 0.005 1
1480 . 138 GLU C C 173.4 0.2 1
1481 . 138 GLU CA C 56.5 0.2 1
1482 . 138 GLU HA H 4.055 0.005 1
1483 . 138 GLU CB C 30.9 0.2 1
1484 . 138 GLU HB3 H 2.021 0.005 1
1485 . 138 GLU HB2 H 2.021 0.005 1
1486 . 138 GLU CG C 37.2 0.2 1
1487 . 138 GLU HG3 H 2.410 0.005 2
1488 . 138 GLU HG2 H 2.540 0.005 2
1489 . 139 THR N N 103.1 0.2 1
1490 . 139 THR H H 7.949 0.005 1
1491 . 139 THR C C 176.3 0.2 1
1492 . 139 THR CA C 60.5 0.2 1
1493 . 139 THR HA H 4.738 0.005 1
1494 . 139 THR CB C 70.8 0.2 1
1495 . 139 THR HB H 4.473 0.005 1
1496 . 139 THR CG2 C 22.4 0.2 1
1497 . 139 THR HG2 H 1.230 0.005 1
1498 . 140 VAL N N 125.9 0.2 1
1499 . 140 VAL H H 8.224 0.005 1
1500 . 140 VAL C C 176.6 0.2 1
1501 . 140 VAL CA C 62.3 0.2 1
1502 . 140 VAL HA H 4.876 0.005 1
1503 . 140 VAL CB C 33.2 0.2 1
1504 . 140 VAL HB H 1.978 0.005 1
1505 . 140 VAL CG2 C 20.6 0.2 1
1506 . 140 VAL HG2 H 0.950 0.005 1
1507 . 140 VAL CG1 C 22.7 0.2 1
1508 . 140 VAL HG1 H 0.810 0.005 1
1509 . 141 ILE N N 122.7 0.2 1
1510 . 141 ILE H H 9.421 0.005 1
1511 . 141 ILE C C 172.2 0.2 1
1512 . 141 ILE CA C 59.8 0.2 1
1513 . 141 ILE HA H 4.959 0.005 1
1514 . 141 ILE CB C 39.7 0.2 1
1515 . 141 ILE HB H 2.860 0.005 1
1516 . 141 ILE CG1 C 25.6 0.2 1
1517 . 141 ILE HG13 H 0.980 0.005 2
1518 . 141 ILE HG12 H 1.130 0.005 2
1519 . 141 ILE CG2 C 17.9 0.2 1
1520 . 141 ILE HG2 H 0.980 0.005 1
1521 . 141 ILE CD1 C 15.9 0.2 1
1522 . 141 ILE HD1 H 0.660 0.005 1
1523 . 142 ARG N N 113.7 0.2 1
1524 . 142 ARG H H 8.827 0.005 1
1525 . 142 ARG C C 175.0 0.2 1
1526 . 142 ARG CA C 54.1 0.2 1
1527 . 142 ARG HA H 5.393 0.005 1
1528 . 142 ARG CB C 35.2 0.2 1
1529 . 142 ARG HB3 H 1.643 0.005 2
1530 . 142 ARG HB2 H 1.754 0.005 2
1531 . 142 ARG CG C 27.8 0.2 1
1532 . 142 ARG HG3 H 1.160 0.005 2
1533 . 142 ARG HG2 H 1.330 0.005 2
1534 . 142 ARG CD C 44.1 0.2 1
1535 . 142 ARG HD3 H 2.770 0.005 2
1536 . 142 ARG HD2 H 2.880 0.005 2
1537 . 142 ARG NE N 82.9 0.2 1
1538 . 142 ARG HE H 7.000 0.005 1
1539 . 143 ALA N N 121.5 0.2 1
1540 . 143 ALA H H 8.866 0.005 1
1541 . 143 ALA C C 174.8 0.2 1
1542 . 143 ALA CA C 49.1 0.2 1
1543 . 143 ALA HA H 5.546 0.005 1
1544 . 143 ALA CB C 20.4 0.2 1
1545 . 143 ALA HB H 1.470 0.005 1
1546 . 144 PRO C C 176.9 0.2 1
1547 . 144 PRO CA C 63.9 0.2 1
1548 . 144 PRO HA H 5.074 0.005 1
1549 . 144 PRO CB C 32.7 0.2 1
1550 . 144 PRO HB3 H 1.623 0.005 2
1551 . 144 PRO HB2 H 2.648 0.005 2
1552 . 144 PRO CG C 28.2 0.2 1
1553 . 144 PRO HG3 H 1.670 0.005 2
1554 . 144 PRO HG2 H 1.770 0.005 2
1555 . 144 PRO CD C 50.1 0.2 1
1556 . 144 PRO HD3 H 3.420 0.005 2
1557 . 144 PRO HD2 H 3.530 0.005 2
1558 . 145 ILE N N 131.3 0.2 1
1559 . 145 ILE H H 9.607 0.005 1
1560 . 145 ILE C C 175.4 0.2 1
1561 . 145 ILE CA C 61.9 0.2 1
1562 . 145 ILE HA H 4.570 0.005 1
1563 . 145 ILE CB C 38.9 0.2 1
1564 . 145 ILE HB H 2.404 0.005 1
1565 . 145 ILE CG1 C 29.3 0.2 1
1566 . 145 ILE HG13 H 1.480 0.005 2
1567 . 145 ILE HG12 H 2.510 0.005 2
1568 . 145 ILE CG2 C 19.8 0.2 1
1569 . 145 ILE HG2 H 0.190 0.005 1
1570 . 145 ILE CD1 C 16.4 0.2 1
1571 . 145 ILE HD1 H 1.580 0.005 1
1572 . 146 HIS N N 124.6 0.2 1
1573 . 146 HIS H H 8.568 0.005 1
1574 . 146 HIS C C 175.3 0.2 1
1575 . 146 HIS CA C 53.6 0.2 1
1576 . 146 HIS HA H 5.196 0.005 1
1577 . 146 HIS CB C 34.2 0.2 1
1578 . 146 HIS HB3 H 2.854 0.005 2
1579 . 146 HIS HB2 H 3.166 0.005 2
1580 . 146 HIS CD2 C 114.4 0.2 1
1581 . 146 HIS HD2 H 6.830 0.005 1
1582 . 146 HIS CE1 C 139.0 0.2 1
1583 . 146 HIS HE1 H 7.850 0.005 1
1584 . 147 PHE N N 115.4 0.2 1
1585 . 147 PHE H H 8.918 0.005 1
1586 . 147 PHE C C 178.3 0.2 1
1587 . 147 PHE CA C 57.3 0.2 1
1588 . 147 PHE HA H 5.031 0.005 1
1589 . 147 PHE CB C 41.6 0.2 1
1590 . 147 PHE HB3 H 2.554 0.005 2
1591 . 147 PHE HB2 H 3.301 0.005 2
1592 . 147 PHE CD1 C 132.0 0.2 1
1593 . 147 PHE CD2 C 132.0 0.2 1
1594 . 147 PHE HD1 H 7.190 0.005 1
1595 . 147 PHE HD2 H 7.190 0.005 1
1596 . 147 PHE CE1 C 130.8 0.2 1
1597 . 147 PHE CE2 C 130.8 0.2 1
1598 . 147 PHE HE1 H 7.380 0.005 1
1599 . 147 PHE HE2 H 7.380 0.005 1
1600 . 148 GLY N N 111.5 0.2 1
1601 . 148 GLY H H 8.946 0.005 1
1602 . 148 GLY C C 173.2 0.2 1
1603 . 148 GLY CA C 48.2 0.2 1
1604 . 148 GLY HA3 H 3.559 0.005 2
1605 . 148 GLY HA2 H 4.069 0.005 2
1606 . 149 TYR N N 124.1 0.2 1
1607 . 149 TYR H H 8.117 0.005 1
1608 . 149 TYR C C 176.3 0.2 1
1609 . 149 TYR CA C 57.7 0.2 1
1610 . 149 TYR HA H 4.343 0.005 1
1611 . 149 TYR CB C 40.0 0.2 1
1612 . 149 TYR HB3 H 2.541 0.005 2
1613 . 149 TYR HB2 H 3.147 0.005 2
1614 . 149 TYR CD1 C 133.8 0.2 1
1615 . 149 TYR CD2 C 133.8 0.2 1
1616 . 149 TYR HD1 H 6.920 0.005 1
1617 . 149 TYR HD2 H 6.920 0.005 1
1618 . 149 TYR CE1 C 117.4 0.2 1
1619 . 149 TYR CE2 C 117.4 0.2 1
1620 . 149 TYR HE1 H 6.720 0.005 1
1621 . 149 TYR HE2 H 6.720 0.005 1
1622 . 150 ALA N N 128.2 0.2 1
1623 . 150 ALA H H 9.161 0.005 1
1624 . 150 ALA C C 179.0 0.2 1
1625 . 150 ALA CA C 55.3 0.2 1
1626 . 150 ALA HA H 3.837 0.005 1
1627 . 150 ALA CB C 17.7 0.2 1
1628 . 150 ALA HB H 1.434 0.005 1
1629 . 151 ALA N N 118.4 0.2 1
1630 . 151 ALA H H 8.258 0.005 1
1631 . 151 ALA C C 177.8 0.2 1
1632 . 151 ALA CA C 54.0 0.2 1
1633 . 151 ALA HA H 4.067 0.005 1
1634 . 151 ALA CB C 19.0 0.2 1
1635 . 151 ALA HB H 1.377 0.005 1
1636 . 152 ASN N N 113.4 0.2 1
1637 . 152 ASN H H 7.975 0.005 1
1638 . 152 ASN C C 175.4 0.2 1
1639 . 152 ASN CA C 53.2 0.2 1
1640 . 152 ASN HA H 4.592 0.005 1
1641 . 152 ASN CB C 39.0 0.2 1
1642 . 152 ASN HB3 H 2.930 0.005 2
1643 . 152 ASN HB2 H 3.066 0.005 2
1644 . 152 ASN ND2 N 108.6 0.2 1
1645 . 152 ASN HD21 H 7.850 0.005 2
1646 . 152 ASN HD22 H 9.070 0.005 2
1647 . 153 VAL N N 119.6 0.2 1
1648 . 153 VAL H H 7.206 0.005 1
1649 . 153 VAL C C 177.7 0.2 1
1650 . 153 VAL CA C 65.8 0.2 1
1651 . 153 VAL HA H 3.331 0.005 1
1652 . 153 VAL CB C 30.7 0.2 1
1653 . 153 VAL HB H 1.992 0.005 1
1654 . 153 VAL CG1 C 20.9 0.2 1
1655 . 153 VAL HG1 H 0.780 0.005 1
1656 . 153 VAL CG2 C 23.3 0.2 1
1657 . 153 VAL HG2 H 0.920 0.005 1
1658 . 154 GLY N N 116.8 0.2 1
1659 . 154 GLY H H 8.969 0.005 1
1660 . 154 GLY C C 172.9 0.2 1
1661 . 154 GLY CA C 45.2 0.2 1
1662 . 154 GLY HA3 H 3.825 0.005 2
1663 . 154 GLY HA2 H 4.288 0.005 2
1664 . 155 ASN N N 122.6 0.2 1
1665 . 155 ASN H H 8.617 0.005 1
1666 . 155 ASN C C 174.0 0.2 1
1667 . 155 ASN CA C 49.6 0.2 1
1668 . 155 ASN HA H 4.948 0.005 1
1669 . 155 ASN CB C 41.3 0.2 1
1670 . 155 ASN HB3 H 2.671 0.005 1
1671 . 155 ASN HB2 H 2.671 0.005 1
1672 . 155 ASN ND2 N 111.0 0.2 1
1673 . 155 ASN HD21 H 7.300 0.005 2
1674 . 155 ASN HD22 H 7.700 0.005 2
1675 . 156 THR N N 116.7 0.2 1
1676 . 156 THR H H 8.757 0.005 1
1677 . 156 THR C C 171.6 0.2 1
1678 . 156 THR CA C 61.9 0.2 1
1679 . 156 THR HA H 4.920 0.005 1
1680 . 156 THR CB C 71.9 0.2 1
1681 . 156 THR HB H 3.489 0.005 1
1682 . 156 THR CG2 C 21.2 0.2 1
1683 . 156 THR HG2 H 0.330 0.005 1
1684 . 157 ILE N N 126.9 0.2 1
1685 . 157 ILE H H 8.782 0.005 1
1686 . 157 ILE C C 172.8 0.2 1
1687 . 157 ILE CA C 60.5 0.2 1
1688 . 157 ILE HA H 4.326 0.005 1
1689 . 157 ILE CB C 40.5 0.2 1
1690 . 157 ILE HB H 1.605 0.005 1
1691 . 157 ILE CG1 C 30.7 0.2 1
1692 . 157 ILE HG13 H 1.030 0.005 2
1693 . 157 ILE HG12 H 1.320 0.005 2
1694 . 157 ILE CG2 C 20.2 0.2 1
1695 . 157 ILE HG2 H 1.080 0.005 1
1696 . 157 ILE CD1 C 15.4 0.2 1
1697 . 157 ILE HD1 H 0.910 0.005 1
1698 . 158 TYR N N 126.0 0.2 1
1699 . 158 TYR H H 9.460 0.005 1
1700 . 158 TYR C C 175.5 0.2 1
1701 . 158 TYR CA C 55.3 0.2 1
1702 . 158 TYR HA H 5.777 0.005 1
1703 . 158 TYR CB C 41.2 0.2 1
1704 . 158 TYR HB2 H 2.344 0.005 1
1705 . 158 TYR HB3 H 2.792 0.005 1
1706 . 158 TYR CD1 C 132.9 0.2 1
1707 . 158 TYR CD2 C 132.9 0.2 1
1708 . 158 TYR HD1 H 6.610 0.005 1
1709 . 158 TYR HD2 H 6.610 0.005 1
1710 . 158 TYR CE1 C 117.9 0.2 1
1711 . 158 TYR CE2 C 117.9 0.2 1
1712 . 158 TYR HE1 H 6.460 0.005 1
1713 . 158 TYR HE2 H 6.460 0.005 1
1714 . 159 ILE N N 114.7 0.2 1
1715 . 159 ILE H H 9.328 0.005 1
1716 . 159 ILE C C 175.3 0.2 1
1717 . 159 ILE CA C 58.5 0.2 1
1718 . 159 ILE HA H 6.218 0.005 1
1719 . 159 ILE CB C 43.2 0.2 1
1720 . 159 ILE HB H 2.413 0.005 1
1721 . 159 ILE CG1 C 26.5 0.2 1
1722 . 159 ILE HG13 H 1.430 0.005 2
1723 . 159 ILE HG12 H 1.910 0.005 2
1724 . 159 ILE CG2 C 18.2 0.2 1
1725 . 159 ILE HG2 H 1.500 0.005 1
1726 . 159 ILE CD1 C 14.1 0.2 1
1727 . 159 ILE HD1 H 1.280 0.005 1
1728 . 160 ASP N N 115.7 0.2 1
1729 . 160 ASP H H 9.158 0.005 1
1730 . 160 ASP C C 176.5 0.2 1
1731 . 160 ASP CA C 53.7 0.2 1
1732 . 160 ASP HA H 5.663 0.005 1
1733 . 160 ASP CB C 44.7 0.2 1
1734 . 160 ASP HB3 H 1.907 0.005 2
1735 . 160 ASP HB2 H 3.057 0.005 2
1736 . 161 GLY N N 108.2 0.2 1
1737 . 161 GLY H H 8.952 0.005 1
1738 . 161 GLY C C 174.2 0.2 1
1739 . 161 GLY CA C 47.8 0.2 1
1740 . 161 GLY HA3 H 3.558 0.005 1
1741 . 161 GLY HA2 H 3.558 0.005 1
1742 . 162 LEU N N 118.9 0.2 1
1743 . 162 LEU H H 7.933 0.005 1
1744 . 162 LEU C C 177.4 0.2 1
1745 . 162 LEU CA C 55.7 0.2 1
1746 . 162 LEU HA H 5.014 0.005 1
1747 . 162 LEU CB C 40.3 0.2 1
1748 . 162 LEU HB3 H 1.556 0.005 2
1749 . 162 LEU HB2 H 2.002 0.005 2
1750 . 162 LEU CG C 27.4 0.2 1
1751 . 162 LEU HG H 0.950 0.005 1
1752 . 162 LEU CD1 C 22.0 0.2 1
1753 . 162 LEU HD1 H 0.270 0.005 1
1754 . 162 LEU CD2 C 28.2 0.2 1
1755 . 162 LEU HD2 H 0.630 0.005 1
1756 . 163 ALA N N 134.5 0.2 1
1757 . 163 ALA H H 9.482 0.005 1
1758 . 163 ALA C C 175.5 0.2 1
1759 . 163 ALA CA C 51.7 0.2 1
1760 . 163 ALA HA H 4.707 0.005 1
1761 . 163 ALA CB C 21.3 0.2 1
1762 . 163 ALA HB H 1.244 0.005 1
1763 . 164 ILE N N 125.9 0.2 1
1764 . 164 ILE H H 7.869 0.005 1
1765 . 164 ILE C C 174.0 0.2 1
1766 . 164 ILE CA C 60.5 0.2 1
1767 . 164 ILE HA H 5.032 0.005 1
1768 . 164 ILE CB C 38.7 0.2 1
1769 . 164 ILE HB H 1.595 0.005 1
1770 . 164 ILE CG1 C 28.4 0.2 1
1771 . 164 ILE HG13 H 0.790 0.005 2
1772 . 164 ILE HG12 H 1.210 0.005 2
1773 . 164 ILE CG2 C 17.7 0.2 1
1774 . 164 ILE HG2 H 0.710 0.005 1
1775 . 164 ILE CD1 C 14.6 0.2 1
1776 . 164 ILE HD1 H 0.660 0.005 1
1777 . 165 ALA N N 128.7 0.2 1
1778 . 165 ALA H H 8.888 0.005 1
1779 . 165 ALA C C 176.3 0.2 1
1780 . 165 ALA CA C 50.9 0.2 1
1781 . 165 ALA HA H 5.427 0.005 1
1782 . 165 ALA CB C 23.6 0.2 1
1783 . 165 ALA HB H 1.365 0.005 1
1784 . 166 SER N N 116.8 0.2 1
1785 . 166 SER H H 8.676 0.005 1
1786 . 166 SER C C 174.1 0.2 1
1787 . 166 SER CA C 57.5 0.2 1
1788 . 166 SER HA H 4.065 0.005 1
1789 . 166 SER CB C 64.4 0.2 1
1790 . 166 SER HB3 H 3.370 0.005 2
1791 . 166 SER HB2 H 3.495 0.005 2
1792 . 167 GLN N N 121.9 0.2 1
1793 . 167 GLN H H 8.260 0.005 1
1794 . 167 GLN C C 174.4 0.2 1
1795 . 167 GLN CA C 54.0 0.2 1
1796 . 167 GLN HA H 4.580 0.005 1
1797 . 167 GLN CB C 28.7 0.2 1
1798 . 167 GLN HB3 H 1.760 0.005 2
1799 . 167 GLN HB2 H 1.980 0.005 2
1800 . 167 GLN CG C 33.5 0.2 1
1801 . 167 GLN HG3 H 2.250 0.005 1
1802 . 167 GLN HG2 H 2.250 0.005 1
1803 . 167 GLN NE2 N 111.6 0.2 1
1804 . 167 GLN HE21 H 6.780 0.005 2
1805 . 167 GLN HE22 H 7.260 0.005 2
1806 . 168 PRO C C 176.7 0.2 1
1807 . 168 PRO CA C 63.5 0.2 1
1808 . 168 PRO HA H 4.351 0.005 1
1809 . 168 PRO CB C 32.1 0.2 1
1810 . 168 PRO HB3 H 1.866 0.005 2
1811 . 168 PRO HB2 H 2.237 0.005 2
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