data_6475
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C and 15N Chemical Shift assignments for Man5C-CBM35 from C. japonicus
;
_BMRB_accession_number 6475
_BMRB_flat_file_name bmr6475.str
_Entry_type original
_Submission_date 2005-01-31
_Accession_date 2005-01-31
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'Valine and Leucine methyls stereospecifically assigned'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tunnicliffe Richard B. .
2 Williamson Mike P. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 665
"13C chemical shifts" 524
"15N chemical shifts" 133
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2006-11-13 update author 'update PDB link, etc.'
2005-05-27 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structure of a Mannan-specific Family 35 Carbohydrate-Binding Module: Evidence
for Significant Conformational Changes upon Ligand Binding
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 15740741
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tunnicliffe Richard B .
2 Bolam David N .
3 Pell Gavin . .
4 Gilbert Harry J .
5 Williamson Mike P .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 347
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 287
_Page_last 296
_Year 2005
_Details .
loop_
_Keyword
'carbohydrate-binding module'
'NMR structure'
mannan
'binding specificity'
'decorated oligosaccharides'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Man5C CBM35 Mannan Binding Module'
_Abbreviation_common 'Man5C CBM35 Mannan Binding Module'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Man5C-CBM35 $Man5C-CBM35
stop_
_System_molecular_weight 14933.7
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Man5C-CBM35
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Man5C-CBM35
_Abbreviation_common Man5C-CBM35
_Molecular_mass 14933.7
_Mol_thiol_state 'not present'
loop_
_Biological_function
'Mannan binding module'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 132
_Mol_residue_sequence
;
MAVPEGNSWTYTAASASITA
PAQLVGNVGELQGAGSAVIW
NVDVPVTGEYRINLTWSSPY
SSKVNTLVMDGTALSYAFAE
ATVPVTYVQTKTLSAGNHSF
GVRVGSSDWGYMNVHSLKLE
LLGGLTIRSPAN
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ALA 3 VAL 4 PRO 5 GLU
6 GLY 7 ASN 8 SER 9 TRP 10 THR
11 TYR 12 THR 13 ALA 14 ALA 15 SER
16 ALA 17 SER 18 ILE 19 THR 20 ALA
21 PRO 22 ALA 23 GLN 24 LEU 25 VAL
26 GLY 27 ASN 28 VAL 29 GLY 30 GLU
31 LEU 32 GLN 33 GLY 34 ALA 35 GLY
36 SER 37 ALA 38 VAL 39 ILE 40 TRP
41 ASN 42 VAL 43 ASP 44 VAL 45 PRO
46 VAL 47 THR 48 GLY 49 GLU 50 TYR
51 ARG 52 ILE 53 ASN 54 LEU 55 THR
56 TRP 57 SER 58 SER 59 PRO 60 TYR
61 SER 62 SER 63 LYS 64 VAL 65 ASN
66 THR 67 LEU 68 VAL 69 MET 70 ASP
71 GLY 72 THR 73 ALA 74 LEU 75 SER
76 TYR 77 ALA 78 PHE 79 ALA 80 GLU
81 ALA 82 THR 83 VAL 84 PRO 85 VAL
86 THR 87 TYR 88 VAL 89 GLN 90 THR
91 LYS 92 THR 93 LEU 94 SER 95 ALA
96 GLY 97 ASN 98 HIS 99 SER 100 PHE
101 GLY 102 VAL 103 ARG 104 VAL 105 GLY
106 SER 107 SER 108 ASP 109 TRP 110 GLY
111 TYR 112 MET 113 ASN 114 VAL 115 HIS
116 SER 117 LEU 118 LYS 119 LEU 120 GLU
121 LEU 122 LEU 123 GLY 124 GLY 125 LEU
126 THR 127 ILE 128 ARG 129 SER 130 PRO
131 ALA 132 ASN
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 2BGO "Mannan Binding Module From Man5c" 100.00 140 100.00 100.00 2.35e-88
PDB 2BGP "Mannan Binding Module From Man5c In Bound Conformation" 100.00 140 100.00 100.00 2.35e-88
GB AAO31761 "endo-b1,4-mannanase 5C [Cellvibrio japonicus]" 100.00 830 100.00 100.00 3.88e-81
GB ACE82655 "endo-1, 4-beta mannanase, man5C [Cellvibrio japonicus Ueda107]" 100.00 830 100.00 100.00 5.30e-81
REF WP_012489045 "endo- 1,4-beta-mannanase [Cellvibrio japonicus]" 100.00 830 100.00 100.00 5.30e-81
REF YP_001983923 "endo- 1,4-beta-mannanase [Cellvibrio japonicus Ueda107]" 100.00 830 100.00 100.00 5.30e-81
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Man5C-CBM35 'Cellvibrio japonicus' 155077 Bacteria . Cellvibrio 'Cellvibrio japonicus'
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
$Man5C-CBM35 'recombinant technology' 'E. coli' Escherichia Coli 'JM83 (DE3)' Plasmid pET22b
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
$Man5C-CBM35 1.0 mM '[U-95% 13C; U-95% 15N]'
'sodium phosphate' 50 mM .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name Felix
_Version 2000
loop_
_Vendor
_Address
_Electronic_address
Accelrys 'San Diego, CA' .
stop_
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 800
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
save_NMR_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_HSQC_(15N_and_13C)_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 'HSQC (15N and 13C)'
_Sample_label $sample_1
save_
save_HNCO_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label $sample_1
save_
save_HNCA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label $sample_1
save_
save_HN(CA)CO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CA)CO
_Sample_label $sample_1
save_
save_HN(CO)CA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_Sample_label $sample_1
save_
save_CBCA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_Sample_label $sample_1
save_
save_HBHA(CBCACO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHA(CBCACO)NH
_Sample_label $sample_1
save_
save_CCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CCH-TOCSY
_Sample_label $sample_1
save_
save_HCCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label $sample_1
save_
save_15N,13C-edited_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N,13C-edited NOESY'
_Sample_label $sample_1
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 'HSQC (15N and 13C)'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CA)CO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHA(CBCACO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N,13C-edited 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 pH
temperature 298 0.5 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
TSP H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $citation_1 $citation_1
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation_1 $citation_1
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation_1 $citation_1
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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_1
stop_
loop_
_Experiment_label
'HSQC (15N and 13C)'
HNCO
HNCA
HN(CA)CO
HN(CO)CA
CBCA(CO)NH
HBHA(CBCACO)NH
CCH-TOCSY
HCCH-TOCSY
'15N,13C-edited NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name Man5C-CBM35
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 . 2 ALA HA H 4.038 0.02 1
2 . 2 ALA HB H 1.396 0.02 1
3 . 2 ALA C C 173.630 0.1 1
4 . 2 ALA CA C 51.430 0.1 1
5 . 2 ALA CB C 19.170 0.1 1
6 . 3 VAL H H 8.400 0.02 1
7 . 3 VAL HA H 4.391 0.02 1
8 . 3 VAL HB H 2.010 0.02 1
9 . 3 VAL HG1 H 0.889 0.02 1
10 . 3 VAL HG2 H 0.828 0.02 1
11 . 3 VAL C C 174.310 0.1 1
12 . 3 VAL CA C 59.755 0.1 1
13 . 3 VAL CB C 32.147 0.1 1
14 . 3 VAL CG1 C 20.817 0.1 1
15 . 3 VAL CG2 C 19.887 0.1 1
16 . 3 VAL N N 120.350 0.1 1
17 . 4 PRO HA H 4.306 0.02 1
18 . 4 PRO HB2 H 1.779 0.02 2
19 . 4 PRO HB3 H 2.172 0.02 2
20 . 4 PRO HG2 H 1.096 0.02 2
21 . 4 PRO HG3 H 1.574 0.02 2
22 . 4 PRO HD2 H 3.536 0.02 2
23 . 4 PRO HD3 H 3.777 0.02 2
24 . 4 PRO C C 176.505 0.1 1
25 . 4 PRO CA C 63.023 0.1 1
26 . 4 PRO CB C 31.729 0.1 1
27 . 4 PRO CG C 27.163 0.1 1
28 . 4 PRO CD C 50.597 0.1 1
29 . 5 GLU H H 8.435 0.02 1
30 . 5 GLU HA H 4.144 0.02 1
31 . 5 GLU HB2 H 1.847 0.02 2
32 . 5 GLU HB3 H 1.914 0.02 2
33 . 5 GLU HG2 H 2.194 0.02 1
34 . 5 GLU HG3 H 2.194 0.02 1
35 . 5 GLU C C 176.856 0.1 1
36 . 5 GLU CA C 56.708 0.1 1
37 . 5 GLU CB C 30.066 0.1 1
38 . 5 GLU CG C 36.051 0.1 1
39 . 5 GLU N N 121.529 0.1 1
40 . 6 GLY H H 8.323 0.02 1
41 . 6 GLY HA2 H 3.745 0.02 2
42 . 6 GLY HA3 H 3.863 0.02 2
43 . 6 GLY C C 173.327 0.1 1
44 . 6 GLY CA C 44.981 0.1 1
45 . 6 GLY N N 109.932 0.1 1
46 . 7 ASN H H 8.027 0.02 1
47 . 7 ASN HA H 4.392 0.02 1
48 . 7 ASN HB2 H 2.711 0.02 1
49 . 7 ASN HB3 H 2.711 0.02 1
50 . 7 ASN HD21 H 7.310 0.02 2
51 . 7 ASN HD22 H 6.740 0.02 2
52 . 7 ASN C C 172.853 0.1 1
53 . 7 ASN CA C 52.597 0.1 1
54 . 7 ASN CB C 39.098 0.1 1
55 . 7 ASN N N 117.021 0.1 1
56 . 7 ASN ND2 N 112.200 0.1 1
57 . 8 SER H H 6.677 0.02 1
58 . 8 SER HA H 5.000 0.02 1
59 . 8 SER HB2 H 3.387 0.02 2
60 . 8 SER HB3 H 3.431 0.02 2
61 . 8 SER C C 172.060 0.1 1
62 . 8 SER CA C 56.580 0.1 1
63 . 8 SER CB C 65.256 0.1 1
64 . 8 SER N N 111.885 0.1 1
65 . 9 TRP H H 8.780 0.02 1
66 . 9 TRP HA H 4.531 0.02 1
67 . 9 TRP HB2 H 2.990 0.02 2
68 . 9 TRP HB3 H 3.031 0.02 2
69 . 9 TRP HD1 H 7.219 0.02 1
70 . 9 TRP HE1 H 10.094 0.02 1
71 . 9 TRP HE3 H 7.636 0.02 1
72 . 9 TRP HZ2 H 7.411 0.02 1
73 . 9 TRP HZ3 H 6.948 0.02 1
74 . 9 TRP HH2 H 7.022 0.02 1
75 . 9 TRP C C 173.969 0.1 1
76 . 9 TRP CA C 58.572 0.1 1
77 . 9 TRP CB C 32.903 0.1 1
78 . 9 TRP CD1 C 127.360 0.1 1
79 . 9 TRP CE3 C 121.034 0.1 1
80 . 9 TRP CZ2 C 114.890 0.1 1
81 . 9 TRP CZ3 C 120.901 0.1 1
82 . 9 TRP CH2 C 123.104 0.1 1
83 . 9 TRP N N 122.941 0.1 1
84 . 9 TRP NE1 N 129.949 0.1 1
85 . 10 THR H H 8.220 0.02 1
86 . 10 THR HA H 4.874 0.02 1
87 . 10 THR HB H 3.695 0.02 1
88 . 10 THR HG2 H 0.904 0.02 1
89 . 10 THR C C 172.746 0.1 1
90 . 10 THR CA C 61.739 0.1 1
91 . 10 THR CB C 69.903 0.1 1
92 . 10 THR CG2 C 20.723 0.1 1
93 . 10 THR N N 118.337 0.1 1
94 . 11 TYR H H 9.371 0.02 1
95 . 11 TYR HA H 4.833 0.02 1
96 . 11 TYR HB2 H 2.055 0.02 2
97 . 11 TYR HB3 H 3.024 0.02 2
98 . 11 TYR HD1 H 6.867 0.02 1
99 . 11 TYR HD2 H 6.867 0.02 1
100 . 11 TYR HE1 H 6.621 0.02 1
101 . 11 TYR HE2 H 6.621 0.02 1
102 . 11 TYR C C 176.153 0.1 1
103 . 11 TYR CA C 56.050 0.1 1
104 . 11 TYR CB C 41.441 0.1 1
105 . 11 TYR CD1 C 133.460 0.1 1
106 . 11 TYR CE1 C 117.767 0.1 1
107 . 11 TYR N N 126.040 0.1 1
108 . 12 THR H H 9.153 0.02 1
109 . 12 THR HA H 5.100 0.02 1
110 . 12 THR HB H 5.057 0.02 1
111 . 12 THR HG2 H 1.339 0.02 1
112 . 12 THR C C 177.572 0.1 1
113 . 12 THR CA C 60.995 0.1 1
114 . 12 THR CB C 70.414 0.1 1
115 . 12 THR CG2 C 20.714 0.1 1
116 . 12 THR N N 112.941 0.1 1
117 . 13 ALA H H 8.252 0.02 1
118 . 13 ALA HA H 3.862 0.02 1
119 . 13 ALA HB H 1.158 0.02 1
120 . 13 ALA C C 176.803 0.1 1
121 . 13 ALA CA C 55.234 0.1 1
122 . 13 ALA CB C 17.796 0.1 1
123 . 13 ALA N N 124.543 0.1 1
124 . 14 ALA H H 7.858 0.02 1
125 . 14 ALA HA H 4.112 0.02 1
126 . 14 ALA HB H 1.417 0.02 1
127 . 14 ALA C C 178.471 0.1 1
128 . 14 ALA CA C 54.249 0.1 1
129 . 14 ALA CB C 18.152 0.1 1
130 . 14 ALA N N 117.355 0.1 1
131 . 15 SER H H 7.730 0.02 1
132 . 15 SER HA H 4.746 0.02 1
133 . 15 SER HB2 H 4.227 0.02 2
134 . 15 SER HB3 H 4.290 0.02 2
135 . 15 SER C C 174.158 0.1 1
136 . 15 SER CA C 57.986 0.1 1
137 . 15 SER CB C 63.952 0.1 1
138 . 15 SER N N 110.508 0.1 1
139 . 16 ALA H H 7.225 0.02 1
140 . 16 ALA HA H 3.819 0.02 1
141 . 16 ALA HB H -0.088 0.02 1
142 . 16 ALA C C 176.676 0.1 1
143 . 16 ALA CA C 51.483 0.1 1
144 . 16 ALA CB C 18.398 0.1 1
145 . 16 ALA N N 124.955 0.1 1
146 . 17 SER H H 8.740 0.02 1
147 . 17 SER HA H 4.389 0.02 1
148 . 17 SER HB2 H 3.706 0.02 1
149 . 17 SER HB3 H 3.706 0.02 1
150 . 17 SER C C 174.353 0.1 1
151 . 17 SER CA C 58.148 0.1 1
152 . 17 SER CB C 62.405 0.1 1
153 . 17 SER N N 115.445 0.1 1
154 . 18 ILE H H 8.802 0.02 1
155 . 18 ILE HA H 4.540 0.02 1
156 . 18 ILE HB H 1.801 0.02 1
157 . 18 ILE HG12 H 1.097 0.02 2
158 . 18 ILE HG13 H 1.232 0.02 2
159 . 18 ILE HG2 H 0.427 0.02 1
160 . 18 ILE HD1 H 0.493 0.02 1
161 . 18 ILE C C 176.111 0.1 1
162 . 18 ILE CA C 58.867 0.1 1
163 . 18 ILE CB C 37.300 0.1 1
164 . 18 ILE CG1 C 26.627 0.1 1
165 . 18 ILE CG2 C 16.917 0.1 1
166 . 18 ILE CD1 C 11.803 0.1 1
167 . 18 ILE N N 131.917 0.1 1
168 . 19 THR H H 8.836 0.02 1
169 . 19 THR HA H 4.365 0.02 1
170 . 19 THR HB H 3.915 0.02 1
171 . 19 THR HG2 H 1.267 0.02 1
172 . 19 THR C C 173.709 0.1 1
173 . 19 THR CA C 61.504 0.1 1
174 . 19 THR CB C 69.386 0.1 1
175 . 19 THR CG2 C 21.502 0.1 1
176 . 19 THR N N 125.998 0.1 1
177 . 20 ALA H H 8.803 0.02 1
178 . 20 ALA HA H 4.623 0.02 1
179 . 20 ALA HB H 1.280 0.02 1
180 . 20 ALA C C 175.554 0.1 1
181 . 20 ALA CA C 51.427 0.1 1
182 . 20 ALA CB C 17.099 0.1 1
183 . 20 ALA N N 132.962 0.1 1
184 . 21 PRO HA H 4.269 0.02 1
185 . 21 PRO HB2 H 2.073 0.02 2
186 . 21 PRO HB3 H 2.328 0.02 2
187 . 21 PRO HG2 H 1.462 0.02 2
188 . 21 PRO HG3 H 1.719 0.02 2
189 . 21 PRO HD2 H 3.308 0.02 2
190 . 21 PRO HD3 H 3.113 0.02 2
191 . 21 PRO C C 176.329 0.1 1
192 . 21 PRO CA C 63.380 0.1 1
193 . 21 PRO CB C 32.617 0.1 1
194 . 21 PRO CG C 24.193 0.1 1
195 . 21 PRO CD C 49.799 0.1 1
196 . 22 ALA H H 8.629 0.02 1
197 . 22 ALA HA H 4.732 0.02 1
198 . 22 ALA HB H 1.158 0.02 1
199 . 22 ALA C C 175.726 0.1 1
200 . 22 ALA CA C 52.980 0.1 1
201 . 22 ALA CB C 20.980 0.1 1
202 . 22 ALA N N 125.694 0.1 1
203 . 23 GLN H H 8.258 0.02 1
204 . 23 GLN HA H 4.475 0.02 1
205 . 23 GLN HB2 H 1.900 0.02 2
206 . 23 GLN HB3 H 1.692 0.02 2
207 . 23 GLN HG2 H 2.196 0.02 1
208 . 23 GLN HG3 H 2.196 0.02 1
209 . 23 GLN HE21 H 6.610 0.02 2
210 . 23 GLN HE22 H 7.361 0.02 2
211 . 23 GLN C C 173.668 0.1 1
212 . 23 GLN CA C 53.399 0.1 1
213 . 23 GLN CB C 32.110 0.1 1
214 . 23 GLN CG C 32.243 0.1 1
215 . 23 GLN N N 114.881 0.1 1
216 . 23 GLN NE2 N 111.557 0.1 1
217 . 24 LEU H H 8.659 0.02 1
218 . 24 LEU HA H 4.586 0.02 1
219 . 24 LEU HB2 H 1.097 0.02 2
220 . 24 LEU HB3 H 1.755 0.02 2
221 . 24 LEU HG H 0.798 0.02 1
222 . 24 LEU HD1 H 0.418 0.02 1
223 . 24 LEU HD2 H 0.418 0.02 1
224 . 24 LEU C C 175.878 0.1 1
225 . 24 LEU CA C 54.061 0.1 1
226 . 24 LEU CB C 42.224 0.1 1
227 . 24 LEU CG C 25.821 0.1 1
228 . 24 LEU CD1 C 22.352 0.1 1
229 . 24 LEU CD2 C 22.352 0.1 1
230 . 24 LEU N N 124.808 0.1 1
231 . 25 VAL H H 9.060 0.02 1
232 . 25 VAL HA H 4.074 0.02 1
233 . 25 VAL HB H 1.847 0.02 1
234 . 25 VAL HG1 H 0.683 0.02 1
235 . 25 VAL HG2 H 0.683 0.02 1
236 . 25 VAL C C 176.801 0.1 1
237 . 25 VAL CA C 61.581 0.1 1
238 . 25 VAL CB C 32.376 0.1 1
239 . 25 VAL CG1 C 20.148 0.1 1
240 . 25 VAL CG2 C 20.148 0.1 1
241 . 25 VAL N N 130.883 0.1 1
242 . 26 GLY H H 8.896 0.02 1
243 . 26 GLY HA2 H 3.502 0.02 2
244 . 26 GLY HA3 H 3.952 0.02 2
245 . 26 GLY C C 173.667 0.1 1
246 . 26 GLY CA C 47.109 0.1 1
247 . 26 GLY N N 118.518 0.1 1
248 . 27 ASN H H 8.551 0.02 1
249 . 27 ASN HA H 4.709 0.02 1
250 . 27 ASN HB2 H 2.989 0.02 2
251 . 27 ASN HB3 H 3.037 0.02 2
252 . 27 ASN HD21 H 6.909 0.02 2
253 . 27 ASN HD22 H 7.541 0.02 2
254 . 27 ASN C C 173.026 0.1 1
255 . 27 ASN CA C 52.479 0.1 1
256 . 27 ASN CB C 38.312 0.1 1
257 . 27 ASN N N 124.099 0.1 1
258 . 27 ASN ND2 N 112.275 0.1 1
259 . 28 VAL H H 7.786 0.02 1
260 . 28 VAL HA H 4.084 0.02 1
261 . 28 VAL HB H 1.973 0.02 1
262 . 28 VAL HG1 H 0.204 0.02 1
263 . 28 VAL HG2 H 0.730 0.02 1
264 . 28 VAL C C 174.011 0.1 1
265 . 28 VAL CA C 61.969 0.1 1
266 . 28 VAL CB C 34.451 0.1 1
267 . 28 VAL CG1 C 20.428 0.1 1
268 . 28 VAL CG2 C 21.762 0.1 1
269 . 28 VAL N N 119.472 0.1 1
270 . 29 GLY H H 8.649 0.02 1
271 . 29 GLY HA2 H 2.927 0.02 2
272 . 29 GLY HA3 H 4.335 0.02 2
273 . 29 GLY C C 170.708 0.1 1
274 . 29 GLY CA C 44.745 0.1 1
275 . 29 GLY N N 113.272 0.1 1
276 . 30 GLU H H 9.175 0.02 1
277 . 30 GLU HA H 4.742 0.02 1
278 . 30 GLU HB2 H 1.897 0.02 1
279 . 30 GLU HB3 H 1.897 0.02 1
280 . 30 GLU HG2 H 1.967 0.02 2
281 . 30 GLU HG3 H 2.096 0.02 2
282 . 30 GLU C C 176.607 0.1 1
283 . 30 GLU CA C 55.410 0.1 1
284 . 30 GLU CB C 29.798 0.1 1
285 . 30 GLU CG C 35.736 0.1 1
286 . 30 GLU N N 128.760 0.1 1
287 . 31 LEU H H 8.863 0.02 1
288 . 31 LEU HA H 3.867 0.02 1
289 . 31 LEU HB2 H 1.646 0.02 2
290 . 31 LEU HB3 H 1.093 0.02 2
291 . 31 LEU HG H 1.476 0.02 1
292 . 31 LEU HD1 H 0.486 0.02 1
293 . 31 LEU HD2 H 0.377 0.02 1
294 . 31 LEU C C 176.584 0.1 1
295 . 31 LEU CA C 55.467 0.1 1
296 . 31 LEU CB C 40.946 0.1 1
297 . 31 LEU CG C 26.455 0.1 1
298 . 31 LEU CD1 C 23.913 0.1 1
299 . 31 LEU CD2 C 25.544 0.1 1
300 . 31 LEU N N 123.115 0.1 1
301 . 32 GLN H H 7.015 0.02 1
302 . 32 GLN HA H 3.348 0.02 1
303 . 32 GLN HB2 H 1.275 0.02 2
304 . 32 GLN HB3 H 1.816 0.02 2
305 . 32 GLN HG2 H 1.897 0.02 2
306 . 32 GLN HG3 H 2.306 0.02 2
307 . 32 GLN HE21 H 6.678 0.02 2
308 . 32 GLN HE22 H 7.316 0.02 2
309 . 32 GLN C C 174.099 0.1 1
310 . 32 GLN CA C 54.236 0.1 1
311 . 32 GLN CB C 27.203 0.1 1
312 . 32 GLN CG C 33.668 0.1 1
313 . 32 GLN N N 123.285 0.1 1
314 . 32 GLN NE2 N 110.803 0.1 1
315 . 33 GLY H H 7.703 0.02 1
316 . 33 GLY HA2 H 3.747 0.02 2
317 . 33 GLY HA3 H 4.283 0.02 2
318 . 33 GLY C C 174.096 0.1 1
319 . 33 GLY CA C 43.453 0.1 1
320 . 33 GLY N N 107.035 0.1 1
321 . 34 ALA H H 8.527 0.02 1
322 . 34 ALA HA H 3.623 0.02 1
323 . 34 ALA HB H 1.254 0.02 1
324 . 34 ALA C C 177.188 0.1 1
325 . 34 ALA CA C 54.233 0.1 1
326 . 34 ALA CB C 18.403 0.1 1
327 . 34 ALA N N 123.924 0.1 1
328 . 35 GLY H H 8.721 0.02 1
329 . 35 GLY HA2 H 3.390 0.02 2
330 . 35 GLY HA3 H 4.505 0.02 2
331 . 35 GLY C C 174.203 0.1 1
332 . 35 GLY CA C 44.376 0.1 1
333 . 35 GLY N N 111.765 0.1 1
334 . 36 SER H H 7.842 0.02 1
335 . 36 SER HA H 4.142 0.02 1
336 . 36 SER HB2 H 3.536 0.02 2
337 . 36 SER HB3 H 3.666 0.02 2
338 . 36 SER HG H 6.128 0.02 1
339 . 36 SER C C 172.512 0.1 1
340 . 36 SER CA C 59.700 0.1 1
341 . 36 SER CB C 64.479 0.1 1
342 . 36 SER N N 114.954 0.1 1
343 . 37 ALA H H 7.488 0.02 1
344 . 37 ALA HA H 4.694 0.02 1
345 . 37 ALA HB H 1.255 0.02 1
346 . 37 ALA C C 174.849 0.1 1
347 . 37 ALA CA C 53.064 0.1 1
348 . 37 ALA CB C 22.271 0.1 1
349 . 37 ALA N N 121.724 0.1 1
350 . 38 VAL H H 8.148 0.02 1
351 . 38 VAL HA H 4.001 0.02 1
352 . 38 VAL HB H 1.589 0.02 1
353 . 38 VAL HG1 H -0.089 0.02 1
354 . 38 VAL HG2 H 0.513 0.02 1
355 . 38 VAL C C 173.067 0.1 1
356 . 38 VAL CA C 61.974 0.1 1
357 . 38 VAL CB C 33.685 0.1 1
358 . 38 VAL CG1 C 19.834 0.1 1
359 . 38 VAL CG2 C 19.834 0.1 1
360 . 38 VAL N N 122.335 0.1 1
361 . 39 ILE H H 7.959 0.02 1
362 . 39 ILE HA H 4.683 0.02 1
363 . 39 ILE HB H 1.641 0.02 1
364 . 39 ILE HG12 H 0.985 0.02 2
365 . 39 ILE HG13 H 1.228 0.02 2
366 . 39 ILE HG2 H 0.561 0.02 1
367 . 39 ILE HD1 H 0.447 0.02 1
368 . 39 ILE C C 175.127 0.1 1
369 . 39 ILE CA C 57.521 0.1 1
370 . 39 ILE CB C 40.414 0.1 1
371 . 39 ILE CG1 C 25.676 0.1 1
372 . 39 ILE CG2 C 16.516 0.1 1
373 . 39 ILE CD1 C 9.922 0.1 1
374 . 39 ILE N N 124.396 0.1 1
375 . 40 TRP H H 9.916 0.02 1
376 . 40 TRP HA H 4.625 0.02 1
377 . 40 TRP HB2 H 2.781 0.02 2
378 . 40 TRP HB3 H 3.076 0.02 2
379 . 40 TRP HD1 H 6.723 0.02 1
380 . 40 TRP HE1 H 9.420 0.02 1
381 . 40 TRP HE3 H 7.840 0.02 1
382 . 40 TRP HZ2 H 6.600 0.02 1
383 . 40 TRP HZ3 H 6.598 0.02 1
384 . 40 TRP HH2 H 6.651 0.02 1
385 . 40 TRP C C 174.484 0.1 1
386 . 40 TRP CA C 59.273 0.1 1
387 . 40 TRP CB C 31.073 0.1 1
388 . 40 TRP CD1 C 125.352 0.1 1
389 . 40 TRP CE3 C 121.670 0.1 1
390 . 40 TRP CZ2 C 111.870 0.1 1
391 . 40 TRP CZ3 C 120.306 0.1 1
392 . 40 TRP CH2 C 123.363 0.1 1
393 . 40 TRP N N 128.085 0.1 1
394 . 40 TRP NE1 N 130.259 0.1 1
395 . 41 ASN H H 8.408 0.02 1
396 . 41 ASN HA H 5.124 0.02 1
397 . 41 ASN HB2 H 2.547 0.02 2
398 . 41 ASN HB3 H 2.623 0.02 2
399 . 41 ASN HD21 H 6.585 0.02 2
400 . 41 ASN HD22 H 7.399 0.02 2
401 . 41 ASN C C 174.764 0.1 1
402 . 41 ASN CA C 52.657 0.1 1
403 . 41 ASN CB C 39.073 0.1 1
404 . 41 ASN N N 123.617 0.1 1
405 . 41 ASN ND2 N 113.843 0.1 1
406 . 42 VAL H H 8.681 0.02 1
407 . 42 VAL HA H 4.324 0.02 1
408 . 42 VAL HB H 1.745 0.02 1
409 . 42 VAL HG1 H 0.547 0.02 1
410 . 42 VAL HG2 H 0.218 0.02 1
411 . 42 VAL C C 173.923 0.1 1
412 . 42 VAL CA C 59.100 0.1 1
413 . 42 VAL CB C 34.708 0.1 1
414 . 42 VAL CG1 C 18.801 0.1 1
415 . 42 VAL CG2 C 21.205 0.1 1
416 . 42 VAL N N 118.154 0.1 1
417 . 43 ASP H H 8.289 0.02 1
418 . 43 ASP HA H 4.838 0.02 1
419 . 43 ASP HB2 H 2.266 0.02 1
420 . 43 ASP HB3 H 2.266 0.02 1
421 . 43 ASP C C 175.901 0.1 1
422 . 43 ASP CA C 53.123 0.1 1
423 . 43 ASP CB C 41.476 0.1 1
424 . 43 ASP N N 122.805 0.1 1
425 . 44 VAL H H 8.544 0.02 1
426 . 44 VAL HA H 4.044 0.02 1
427 . 44 VAL HB H 2.212 0.02 1
428 . 44 VAL HG1 H 0.523 0.02 1
429 . 44 VAL HG2 H 0.184 0.02 1
430 . 44 VAL C C 176.842 0.1 1
431 . 44 VAL CA C 57.986 0.1 1
432 . 44 VAL CB C 30.574 0.1 1
433 . 44 VAL CG1 C 19.976 0.1 1
434 . 44 VAL CG2 C 21.180 0.1 1
435 . 44 VAL N N 120.220 0.1 1
436 . 45 PRO HA H 4.306 0.02 1
437 . 45 PRO HB2 H 1.965 0.02 2
438 . 45 PRO HB3 H 2.170 0.02 2
439 . 45 PRO HG2 H 1.963 0.02 2
440 . 45 PRO HG3 H 2.144 0.02 2
441 . 45 PRO HD2 H 3.183 0.02 2
442 . 45 PRO HD3 H 3.399 0.02 2
443 . 45 PRO C C 176.204 0.1 1
444 . 45 PRO CA C 65.016 0.1 1
445 . 45 PRO CB C 32.108 0.1 1
446 . 45 PRO CG C 26.906 0.1 1
447 . 45 PRO CD C 50.061 0.1 1
448 . 46 VAL H H 6.476 0.02 1
449 . 46 VAL HA H 4.597 0.02 1
450 . 46 VAL HB H 2.036 0.02 1
451 . 46 VAL HG1 H 0.841 0.02 1
452 . 46 VAL HG2 H 0.857 0.02 1
453 . 46 VAL C C 174.719 0.1 1
454 . 46 VAL CA C 58.922 0.1 1
455 . 46 VAL CB C 36.502 0.1 1
456 . 46 VAL CG1 C 19.887 0.1 1
457 . 46 VAL CG2 C 20.945 0.1 1
458 . 46 VAL N N 110.690 0.1 1
459 . 47 THR H H 9.046 0.02 1
460 . 47 THR HA H 5.171 0.02 1
461 . 47 THR HB H 4.095 0.02 1
462 . 47 THR HG2 H 1.127 0.02 1
463 . 47 THR C C 174.578 0.1 1
464 . 47 THR CA C 61.871 0.1 1
465 . 47 THR CB C 68.623 0.1 1
466 . 47 THR CG2 C 21.369 0.1 1
467 . 47 THR N N 125.918 0.1 1
468 . 48 GLY H H 8.655 0.02 1
469 . 48 GLY HA2 H 3.769 0.02 2
470 . 48 GLY HA3 H 4.075 0.02 2
471 . 48 GLY C C 180.787 0.1 1
472 . 48 GLY CA C 45.212 0.1 1
473 . 48 GLY N N 115.128 0.1 1
474 . 49 GLU H H 8.515 0.02 1
475 . 49 GLU HA H 4.509 0.02 1
476 . 49 GLU HB2 H 1.751 0.02 2
477 . 49 GLU HB3 H 1.695 0.02 2
478 . 49 GLU HG2 H 1.947 0.02 1
479 . 49 GLU HG3 H 1.947 0.02 1
480 . 49 GLU C C 174.420 0.1 1
481 . 49 GLU CA C 55.908 0.1 1
482 . 49 GLU CB C 30.510 0.1 1
483 . 49 GLU CG C 36.591 0.1 1
484 . 49 GLU N N 121.418 0.1 1
485 . 50 TYR H H 8.833 0.02 1
486 . 50 TYR HA H 5.482 0.02 1
487 . 50 TYR HB2 H 2.438 0.02 2
488 . 50 TYR HB3 H 2.609 0.02 2
489 . 50 TYR HE1 H 6.699 0.02 1
490 . 50 TYR HH H 9.143 0.02 1
491 . 50 TYR C C 174.925 0.1 1
492 . 50 TYR CA C 55.733 0.1 1
493 . 50 TYR CB C 41.669 0.1 1
494 . 50 TYR CE1 C 117.960 0.1 1
495 . 50 TYR CE2 C 117.960 0.1 1
496 . 50 TYR N N 122.644 0.1 1
497 . 51 ARG H H 9.303 0.02 1
498 . 51 ARG HA H 4.733 0.02 1
499 . 51 ARG HB2 H 1.501 0.02 2
500 . 51 ARG HB3 H 1.894 0.02 2
501 . 51 ARG HG2 H 1.271 0.02 2
502 . 51 ARG HG3 H 1.390 0.02 2
503 . 51 ARG HD2 H 3.033 0.02 2
504 . 51 ARG HD3 H 3.154 0.02 2
505 . 51 ARG C C 174.765 0.1 1
506 . 51 ARG CA C 55.760 0.1 1
507 . 51 ARG CB C 32.358 0.1 1
508 . 51 ARG CG C 27.693 0.1 1
509 . 51 ARG CD C 43.057 0.1 1
510 . 51 ARG N N 121.315 0.1 1
511 . 52 ILE H H 9.410 0.02 1
512 . 52 ILE HA H 4.147 0.02 1
513 . 52 ILE HB H 1.730 0.02 1
514 . 52 ILE HG12 H 1.255 0.02 2
515 . 52 ILE HG13 H 0.642 0.02 2
516 . 52 ILE HG2 H 0.413 0.02 1
517 . 52 ILE HD1 H 0.792 0.02 1
518 . 52 ILE C C 173.717 0.1 1
519 . 52 ILE CA C 61.151 0.1 1
520 . 52 ILE CB C 39.621 0.1 1
521 . 52 ILE CG1 C 27.713 0.1 1
522 . 52 ILE CG2 C 18.798 0.1 1
523 . 52 ILE CD1 C 15.846 0.1 1
524 . 52 ILE N N 128.901 0.1 1
525 . 53 ASN H H 8.508 0.02 1
526 . 53 ASN HA H 5.615 0.02 1
527 . 53 ASN HB2 H 2.079 0.02 2
528 . 53 ASN HB3 H 2.966 0.02 2
529 . 53 ASN HD21 H 7.030 0.02 2
530 . 53 ASN HD22 H 6.500 0.02 2
531 . 53 ASN C C 174.248 0.1 1
532 . 53 ASN CA C 51.075 0.1 1
533 . 53 ASN CB C 41.688 0.1 1
534 . 53 ASN N N 122.402 0.1 1
535 . 53 ASN ND2 N 112.175 0.1 1
536 . 54 LEU H H 9.983 0.02 1
537 . 54 LEU HA H 5.240 0.02 1
538 . 54 LEU HB2 H 1.316 0.02 2
539 . 54 LEU HB3 H 2.099 0.02 2
540 . 54 LEU HG H 1.810 0.02 1
541 . 54 LEU HD1 H 0.951 0.02 1
542 . 54 LEU HD2 H 1.052 0.02 1
543 . 54 LEU C C 174.957 0.1 1
544 . 54 LEU CA C 54.532 0.1 1
545 . 54 LEU CB C 45.196 0.1 1
546 . 54 LEU CG C 28.268 0.1 1
547 . 54 LEU CD1 C 25.269 0.1 1
548 . 54 LEU CD2 C 26.140 0.1 1
549 . 54 LEU N N 130.669 0.1 1
550 . 55 THR H H 9.416 0.02 1
551 . 55 THR HA H 5.356 0.02 1
552 . 55 THR HB H 4.106 0.02 1
553 . 55 THR HG2 H 0.793 0.02 1
554 . 55 THR C C 172.745 0.1 1
555 . 55 THR CA C 63.085 0.1 1
556 . 55 THR CB C 68.356 0.1 1
557 . 55 THR CG2 C 21.883 0.1 1
558 . 55 THR N N 127.224 0.1 1
559 . 56 TRP H H 9.430 0.02 1
560 . 56 TRP HA H 5.519 0.02 1
561 . 56 TRP HB2 H 2.843 0.02 2
562 . 56 TRP HB3 H 3.582 0.02 2
563 . 56 TRP HD1 H 7.355 0.02 1
564 . 56 TRP HE1 H 9.917 0.02 1
565 . 56 TRP HE3 H 6.956 0.02 1
566 . 56 TRP HZ2 H 7.856 0.02 1
567 . 56 TRP HZ3 H 7.651 0.02 1
568 . 56 TRP HH2 H 7.517 0.02 1
569 . 56 TRP C C 172.466 0.1 1
570 . 56 TRP CA C 54.648 0.1 1
571 . 56 TRP CB C 33.284 0.1 1
572 . 56 TRP CD1 C 127.487 0.1 1
573 . 56 TRP CE3 C 119.061 0.1 1
574 . 56 TRP CZ2 C 115.599 0.1 1
575 . 56 TRP CZ3 C 123.832 0.1 1
576 . 56 TRP CH2 C 125.660 0.1 1
577 . 56 TRP N N 129.220 0.1 1
578 . 56 TRP NE1 N 128.091 0.1 1
579 . 57 SER H H 9.423 0.02 1
580 . 57 SER HA H 4.222 0.02 1
581 . 57 SER HB2 H 3.436 0.02 2
582 . 57 SER HB3 H 3.777 0.02 2
583 . 57 SER C C 173.581 0.1 1
584 . 57 SER CA C 60.391 0.1 1
585 . 57 SER CB C 63.825 0.1 1
586 . 57 SER N N 110.335 0.1 1
587 . 58 SER H H 9.058 0.02 1
588 . 58 SER HA H 5.111 0.02 1
589 . 58 SER HB2 H 3.802 0.02 2
590 . 58 SER HB3 H 4.968 0.02 2
591 . 58 SER CA C 55.291 0.1 1
592 . 58 SER CB C 62.701 0.1 1
593 . 58 SER N N 112.897 0.1 1
594 . 59 PRO HA H 3.928 0.02 1
595 . 59 PRO HB2 H 1.446 0.02 2
596 . 59 PRO HB3 H 2.068 0.02 2
597 . 59 PRO HG2 H 0.973 0.02 2
598 . 59 PRO HG3 H 1.671 0.02 2
599 . 59 PRO HD2 H 3.354 0.02 2
600 . 59 PRO HD3 H 3.477 0.02 2
601 . 59 PRO C C 176.843 0.1 1
602 . 59 PRO CA C 64.081 0.1 1
603 . 59 PRO CB C 32.555 0.1 1
604 . 59 PRO CG C 25.790 0.1 1
605 . 59 PRO CD C 49.513 0.1 1
606 . 60 TYR H H 8.702 0.02 1
607 . 60 TYR HA H 4.535 0.02 1
608 . 60 TYR HB2 H 2.828 0.02 2
609 . 60 TYR HB3 H 3.256 0.02 2
610 . 60 TYR HD1 H 7.188 0.02 1
611 . 60 TYR HD2 H 7.188 0.02 1
612 . 60 TYR HE1 H 6.829 0.02 1
613 . 60 TYR HE2 H 6.829 0.02 1
614 . 60 TYR C C 176.435 0.1 1
615 . 60 TYR CA C 59.454 0.1 1
616 . 60 TYR CB C 38.578 0.1 1
617 . 60 TYR CD1 C 132.870 0.1 1
618 . 60 TYR CE1 C 118.146 0.1 1
619 . 60 TYR N N 119.080 0.1 1
620 . 61 SER H H 7.648 0.02 1
621 . 61 SER HA H 4.613 0.02 1
622 . 61 SER HB2 H 4.182 0.02 2
623 . 61 SER HB3 H 4.283 0.02 2
624 . 61 SER C C 173.322 0.1 1
625 . 61 SER CA C 58.165 0.1 1
626 . 61 SER CB C 63.962 0.1 1
627 . 61 SER N N 108.702 0.1 1
628 . 62 SER H H 8.764 0.02 1
629 . 62 SER HA H 4.956 0.02 1
630 . 62 SER HB2 H 3.906 0.02 2
631 . 62 SER HB3 H 3.987 0.02 2
632 . 62 SER C C 175.108 0.1 1
633 . 62 SER CA C 58.632 0.1 1
634 . 62 SER CB C 62.924 0.1 1
635 . 62 SER N N 116.619 0.1 1
636 . 63 LYS H H 8.974 0.02 1
637 . 63 LYS HA H 3.660 0.02 1
638 . 63 LYS HB2 H 1.805 0.02 1
639 . 63 LYS HB3 H 1.805 0.02 1
640 . 63 LYS HG2 H 1.340 0.02 2
641 . 63 LYS HG3 H 1.389 0.02 2
642 . 63 LYS HD2 H 1.621 0.02 1
643 . 63 LYS HD3 H 1.621 0.02 1
644 . 63 LYS HE2 H 2.927 0.02 1
645 . 63 LYS HE3 H 2.927 0.02 1
646 . 63 LYS C C 174.868 0.1 1
647 . 63 LYS CA C 54.129 0.1 1
648 . 63 LYS CB C 38.083 0.1 1
649 . 63 LYS CG C 23.696 0.1 1
650 . 63 LYS CD C 29.047 0.1 1
651 . 63 LYS CE C 41.705 0.1 1
652 . 63 LYS N N 122.509 0.1 1
653 . 64 VAL H H 5.221 0.02 1
654 . 64 VAL HA H 4.624 0.02 1
655 . 64 VAL HB H 0.633 0.02 1
656 . 64 VAL HG1 H 0.011 0.02 1
657 . 64 VAL HG2 H 0.509 0.02 1
658 . 64 VAL C C 175.901 0.1 1
659 . 64 VAL CA C 61.268 0.1 1
660 . 64 VAL CB C 31.610 0.1 1
661 . 64 VAL CG1 C 20.428 0.1 1
662 . 64 VAL CG2 C 19.881 0.1 1
663 . 64 VAL N N 121.690 0.1 1
664 . 65 ASN H H 8.793 0.02 1
665 . 65 ASN HA H 5.090 0.02 1
666 . 65 ASN HB2 H 2.206 0.02 2
667 . 65 ASN HB3 H 2.432 0.02 2
668 . 65 ASN HD21 H 5.790 0.02 2
669 . 65 ASN HD22 H 6.022 0.02 2
670 . 65 ASN C C 171.865 0.1 1
671 . 65 ASN CA C 53.184 0.1 1
672 . 65 ASN CB C 44.522 0.1 1
673 . 65 ASN N N 124.750 0.1 1
674 . 65 ASN ND2 N 109.150 0.1 1
675 . 66 THR H H 8.130 0.02 1
676 . 66 THR HA H 4.562 0.02 1
677 . 66 THR HB H 4.098 0.02 1
678 . 66 THR HG2 H 0.858 0.02 1
679 . 66 THR C C 173.154 0.1 1
680 . 66 THR CA C 63.728 0.1 1
681 . 66 THR CB C 68.611 0.1 1
682 . 66 THR CG2 C 20.975 0.1 1
683 . 66 THR N N 116.438 0.1 1
684 . 67 LEU H H 9.023 0.02 1
685 . 67 LEU HA H 4.440 0.02 1
686 . 67 LEU HB2 H 1.535 0.02 1
687 . 67 LEU HB3 H 1.535 0.02 1
688 . 67 LEU HG H 1.085 0.02 1
689 . 67 LEU HD1 H -0.136 0.02 1
690 . 67 LEU HD2 H 0.179 0.02 1
691 . 67 LEU C C 174.781 0.1 1
692 . 67 LEU CA C 54.588 0.1 1
693 . 67 LEU CB C 44.548 0.1 1
694 . 67 LEU CG C 26.637 0.1 1
695 . 67 LEU CD1 C 24.461 0.1 1
696 . 67 LEU CD2 C 23.377 0.1 1
697 . 67 LEU N N 131.597 0.1 1
698 . 68 VAL H H 8.937 0.02 1
699 . 68 VAL HA H 4.440 0.02 1
700 . 68 VAL HB H 1.538 0.02 1
701 . 68 VAL HG1 H 0.424 0.02 1
702 . 68 VAL HG2 H 0.549 0.02 1
703 . 68 VAL C C 175.514 0.1 1
704 . 68 VAL CA C 61.504 0.1 1
705 . 68 VAL CB C 31.891 0.1 1
706 . 68 VAL CG1 C 19.577 0.1 1
707 . 68 VAL CG2 C 19.577 0.1 1
708 . 68 VAL N N 126.183 0.1 1
709 . 69 MET H H 8.576 0.02 1
710 . 69 MET HA H 5.252 0.02 1
711 . 69 MET HB2 H 1.891 0.02 2
712 . 69 MET HB3 H 1.683 0.02 2
713 . 69 MET HG2 H 2.201 0.02 2
714 . 69 MET HG3 H 2.807 0.02 2
715 . 69 MET HE H 2.095 0.02 1
716 . 69 MET C C 175.581 0.1 1
717 . 69 MET CA C 52.013 0.1 1
718 . 69 MET CB C 33.903 0.1 1
719 . 69 MET CG C 31.878 0.1 1
720 . 69 MET CE C 18.003 0.1 1
721 . 69 MET N N 125.551 0.1 1
722 . 70 ASP H H 7.487 0.02 1
723 . 70 ASP HA H 3.867 0.02 1
724 . 70 ASP HB2 H 3.015 0.02 2
725 . 70 ASP HB3 H 1.852 0.02 2
726 . 70 ASP C C 176.631 0.1 1
727 . 70 ASP CA C 54.528 0.1 1
728 . 70 ASP CB C 39.143 0.1 1
729 . 70 ASP N N 129.326 0.1 1
730 . 71 GLY H H 7.250 0.02 1
731 . 71 GLY HA2 H 3.220 0.02 2
732 . 71 GLY HA3 H 4.003 0.02 2
733 . 71 GLY C C 173.605 0.1 1
734 . 71 GLY CA C 45.801 0.1 1
735 . 71 GLY N N 103.538 0.1 1
736 . 72 THR H H 7.288 0.02 1
737 . 72 THR HA H 4.197 0.02 1
738 . 72 THR HB H 4.062 0.02 1
739 . 72 THR HG2 H 1.121 0.02 1
740 . 72 THR C C 172.274 0.1 1
741 . 72 THR CA C 62.321 0.1 1
742 . 72 THR CB C 69.383 0.1 1
743 . 72 THR CG2 C 21.343 0.1 1
744 . 72 THR N N 118.317 0.1 1
745 . 73 ALA H H 8.523 0.02 1
746 . 73 ALA HA H 4.871 0.02 1
747 . 73 ALA HB H 1.095 0.02 1
748 . 73 ALA C C 176.348 0.1 1
749 . 73 ALA CA C 50.727 0.1 1
750 . 73 ALA CB C 20.211 0.1 1
751 . 73 ALA N N 130.662 0.1 1
752 . 74 LEU H H 9.040 0.02 1
753 . 74 LEU HA H 4.581 0.02 1
754 . 74 LEU HB2 H 1.534 0.02 1
755 . 74 LEU HB3 H 1.534 0.02 1
756 . 74 LEU HG H 1.532 0.02 1
757 . 74 LEU HD1 H 0.816 0.02 1
758 . 74 LEU HD2 H 0.802 0.02 1
759 . 74 LEU C C 175.232 0.1 1
760 . 74 LEU CA C 53.827 0.1 1
761 . 74 LEU CB C 44.795 0.1 1
762 . 74 LEU CG C 26.075 0.1 1
763 . 74 LEU CD1 C 24.750 0.1 1
764 . 74 LEU CD2 C 26.360 0.1 1
765 . 74 LEU N N 125.233 0.1 1
766 . 75 SER H H 8.528 0.02 1
767 . 75 SER HA H 4.361 0.02 1
768 . 75 SER HB2 H 3.574 0.02 1
769 . 75 SER HB3 H 3.574 0.02 1
770 . 75 SER C C 173.716 0.1 1
771 . 75 SER CA C 59.158 0.1 1
772 . 75 SER CB C 62.403 0.1 1
773 . 75 SER N N 119.548 0.1 1
774 . 76 TYR H H 8.789 0.02 1
775 . 76 TYR HA H 4.244 0.02 1
776 . 76 TYR HB2 H 2.207 0.02 1
777 . 76 TYR HB3 H 2.207 0.02 1
778 . 76 TYR HD1 H 5.287 0.02 1
779 . 76 TYR HE1 H 6.261 0.02 1
780 . 76 TYR C C 171.095 0.1 1
781 . 76 TYR CA C 57.867 0.1 1
782 . 76 TYR CB C 42.754 0.1 1
783 . 76 TYR CD1 C 132.800 0.1 1
784 . 76 TYR CD2 C 132.800 0.1 1
785 . 76 TYR CE1 C 117.300 0.1 1
786 . 76 TYR CE2 C 117.300 0.1 1
787 . 76 TYR N N 131.005 0.1 1
788 . 77 ALA H H 6.954 0.02 1
789 . 77 ALA HA H 4.108 0.02 1
790 . 77 ALA HB H 0.780 0.02 1
791 . 77 ALA C C 174.482 0.1 1
792 . 77 ALA CA C 50.079 0.1 1
793 . 77 ALA CB C 17.376 0.1 1
794 . 77 ALA N N 128.025 0.1 1
795 . 78 PHE H H 8.580 0.02 1
796 . 78 PHE HA H 3.708 0.02 1
797 . 78 PHE HB2 H 2.317 0.02 2
798 . 78 PHE HB3 H 2.877 0.02 2
799 . 78 PHE HZ H 6.419 0.02 1
800 . 78 PHE C C 174.418 0.1 1
801 . 78 PHE CA C 57.753 0.1 1
802 . 78 PHE CB C 37.296 0.1 1
803 . 78 PHE CZ C 128.167 0.1 1
804 . 78 PHE N N 126.966 0.1 1
805 . 79 ALA H H 8.021 0.02 1
806 . 79 ALA HA H 4.099 0.02 1
807 . 79 ALA HB H 1.536 0.02 1
808 . 79 ALA C C 174.827 0.1 1
809 . 79 ALA CA C 51.894 0.1 1
810 . 79 ALA CB C 19.431 0.1 1
811 . 79 ALA N N 128.462 0.1 1
812 . 80 GLU H H 7.770 0.02 1
813 . 80 GLU HA H 4.160 0.02 1
814 . 80 GLU HB2 H 1.918 0.02 2
815 . 80 GLU HB3 H 1.859 0.02 2
816 . 80 GLU HG2 H 1.992 0.02 2
817 . 80 GLU HG3 H 1.933 0.02 2
818 . 80 GLU C C 177.209 0.1 1
819 . 80 GLU CA C 57.404 0.1 1
820 . 80 GLU CB C 30.042 0.1 1
821 . 80 GLU CG C 35.385 0.1 1
822 . 80 GLU N N 117.231 0.1 1
823 . 81 ALA H H 8.542 0.02 1
824 . 81 ALA HA H 4.490 0.02 1
825 . 81 ALA HB H 1.194 0.02 1
826 . 81 ALA C C 176.649 0.1 1
827 . 81 ALA CA C 52.772 0.1 1
828 . 81 ALA CB C 21.229 0.1 1
829 . 81 ALA N N 130.256 0.1 1
830 . 82 THR H H 8.688 0.02 1
831 . 82 THR HA H 4.036 0.02 1
832 . 82 THR HB H 4.158 0.02 1
833 . 82 THR HG2 H 1.183 0.02 1
834 . 82 THR C C 174.787 0.1 1
835 . 82 THR CA C 63.145 0.1 1
836 . 82 THR CB C 68.084 0.1 1
837 . 82 THR CG2 C 21.769 0.1 1
838 . 82 THR N N 117.604 0.1 1
839 . 83 VAL H H 7.415 0.02 1
840 . 83 VAL HA H 4.247 0.02 1
841 . 83 VAL HB H 1.849 0.02 1
842 . 83 VAL HG1 H 0.762 0.02 1
843 . 83 VAL HG2 H 0.784 0.02 1
844 . 83 VAL C C 173.321 0.1 1
845 . 83 VAL CA C 59.044 0.1 1
846 . 83 VAL CB C 32.374 0.1 1
847 . 83 VAL CG1 C 20.055 0.1 1
848 . 83 VAL CG2 C 20.555 0.1 1
849 . 83 VAL N N 122.980 0.1 1
850 . 84 PRO HA H 3.830 0.02 1
851 . 84 PRO HB2 H 1.071 0.02 2
852 . 84 PRO HB3 H 1.177 0.02 2
853 . 84 PRO HG2 H 1.094 0.02 2
854 . 84 PRO HG3 H 1.573 0.02 2
855 . 84 PRO HD2 H 3.269 0.02 2
856 . 84 PRO HD3 H 3.709 0.02 2
857 . 84 PRO C C 175.259 0.1 1
858 . 84 PRO CA C 63.026 0.1 1
859 . 84 PRO CB C 31.735 0.1 1
860 . 84 PRO CG C 27.160 0.1 1
861 . 84 PRO CD C 50.811 0.1 1
862 . 85 VAL H H 8.300 0.02 1
863 . 85 VAL HA H 3.767 0.02 1
864 . 85 VAL HB H 0.320 0.02 1
865 . 85 VAL HG1 H 0.247 0.02 1
866 . 85 VAL HG2 H 0.779 0.02 1
867 . 85 VAL C C 173.476 0.1 1
868 . 85 VAL CA C 60.273 0.1 1
869 . 85 VAL CB C 34.709 0.1 1
870 . 85 VAL CG1 C 20.684 0.1 1
871 . 85 VAL CG2 C 21.506 0.1 1
872 . 85 VAL N N 125.058 0.1 1
873 . 86 THR H H 8.170 0.02 1
874 . 86 THR HA H 4.871 0.02 1
875 . 86 THR HB H 3.693 0.02 1
876 . 86 THR HG2 H 0.949 0.02 1
877 . 86 THR C C 174.400 0.1 1
878 . 86 THR CA C 61.737 0.1 1
879 . 86 THR CB C 69.661 0.1 1
880 . 86 THR CG2 C 22.460 0.1 1
881 . 86 THR N N 118.558 0.1 1
882 . 87 TYR H H 9.656 0.02 1
883 . 87 TYR HA H 4.660 0.02 1
884 . 87 TYR HB2 H 3.241 0.02 2
885 . 87 TYR HB3 H 3.305 0.02 2
886 . 87 TYR HD1 H 6.852 0.02 1
887 . 87 TYR HD2 H 6.852 0.02 1
888 . 87 TYR HE1 H 6.633 0.02 1
889 . 87 TYR HE2 H 6.633 0.02 1
890 . 87 TYR C C 174.000 0.1 1
891 . 87 TYR CA C 58.340 0.1 1
892 . 87 TYR CB C 39.112 0.1 1
893 . 87 TYR CD1 C 132.290 0.1 1
894 . 87 TYR CE1 C 117.780 0.1 1
895 . 87 TYR N N 131.892 0.1 1
896 . 88 VAL H H 7.604 0.02 1
897 . 88 VAL HA H 5.207 0.02 1
898 . 88 VAL HB H 1.572 0.02 1
899 . 88 VAL HG1 H 0.645 0.02 1
900 . 88 VAL HG2 H 0.753 0.02 1
901 . 88 VAL C C 175.233 0.1 1
902 . 88 VAL CA C 59.978 0.1 1
903 . 88 VAL CB C 34.460 0.1 1
904 . 88 VAL CG1 C 20.679 0.1 1
905 . 88 VAL CG2 C 20.679 0.1 1
906 . 88 VAL N N 127.742 0.1 1
907 . 89 GLN H H 8.565 0.02 1
908 . 89 GLN HA H 4.464 0.02 1
909 . 89 GLN HB2 H 1.895 0.02 2
910 . 89 GLN HB3 H 2.045 0.02 2
911 . 89 GLN HG2 H 2.216 0.02 2
912 . 89 GLN HG3 H 2.308 0.02 2
913 . 89 GLN HE21 H 6.824 0.02 2
914 . 89 GLN HE22 H 7.325 0.02 2
915 . 89 GLN C C 173.691 0.1 1
916 . 89 GLN CA C 54.819 0.1 1
917 . 89 GLN CB C 33.917 0.1 1
918 . 89 GLN CG C 33.759 0.1 1
919 . 89 GLN N N 124.936 0.1 1
920 . 89 GLN NE2 N 109.908 0.1 1
921 . 90 THR H H 8.596 0.02 1
922 . 90 THR HA H 5.528 0.02 1
923 . 90 THR HB H 3.916 0.02 1
924 . 90 THR HG2 H 0.975 0.02 1
925 . 90 THR C C 174.438 0.1 1
926 . 90 THR CA C 60.917 0.1 1
927 . 90 THR CB C 69.654 0.1 1
928 . 90 THR CG2 C 21.214 0.1 1
929 . 90 THR N N 119.631 0.1 1
930 . 91 LYS H H 9.191 0.02 1
931 . 91 LYS HA H 4.634 0.02 1
932 . 91 LYS HB2 H 1.668 0.02 1
933 . 91 LYS HB3 H 1.668 0.02 1
934 . 91 LYS HG2 H 1.305 0.02 2
935 . 91 LYS HG3 H 1.524 0.02 2
936 . 91 LYS HD2 H 1.486 0.02 2
937 . 91 LYS HD3 H 1.646 0.02 2
938 . 91 LYS HE2 H 3.122 0.02 2
939 . 91 LYS HE3 H 2.987 0.02 2
940 . 91 LYS C C 174.697 0.1 1
941 . 91 LYS CA C 55.643 0.1 1
942 . 91 LYS CB C 36.760 0.1 1
943 . 91 LYS CG C 23.935 0.1 1
944 . 91 LYS CD C 28.789 0.1 1
945 . 91 LYS CE C 41.507 0.1 1
946 . 91 LYS N N 124.712 0.1 1
947 . 92 THR H H 8.549 0.02 1
948 . 92 THR HA H 4.879 0.02 1
949 . 92 THR HB H 3.927 0.02 1
950 . 92 THR HG2 H 0.979 0.02 1
951 . 92 THR C C 174.309 0.1 1
952 . 92 THR CA C 63.028 0.1 1
953 . 92 THR CB C 68.350 0.1 1
954 . 92 THR CG2 C 21.068 0.1 1
955 . 92 THR N N 120.848 0.1 1
956 . 93 LEU H H 9.093 0.02 1
957 . 93 LEU HA H 4.660 0.02 1
958 . 93 LEU HB2 H 1.596 0.02 2
959 . 93 LEU HB3 H -0.024 0.02 2
960 . 93 LEU HG H 1.463 0.02 1
961 . 93 LEU HD1 H 0.340 0.02 1
962 . 93 LEU HD2 H 0.076 0.02 1
963 . 93 LEU C C 175.188 0.1 1
964 . 93 LEU CA C 52.479 0.1 1
965 . 93 LEU CB C 43.770 0.1 1
966 . 93 LEU CG C 25.277 0.1 1
967 . 93 LEU CD1 C 23.114 0.1 1
968 . 93 LEU CD2 C 25.282 0.1 1
969 . 93 LEU N N 126.598 0.1 1
970 . 94 SER H H 7.964 0.02 1
971 . 94 SER HA H 4.637 0.02 1
972 . 94 SER HB2 H 3.865 0.02 1
973 . 94 SER HB3 H 3.865 0.02 1
974 . 94 SER C C 175.404 0.1 1
975 . 94 SER CA C 56.461 0.1 1
976 . 94 SER CB C 63.446 0.1 1
977 . 94 SER N N 114.473 0.1 1
978 . 95 ALA H H 8.270 0.02 1
979 . 95 ALA HA H 3.762 0.02 1
980 . 95 ALA HB H 1.146 0.02 1
981 . 95 ALA C C 177.487 0.1 1
982 . 95 ALA CA C 53.593 0.1 1
983 . 95 ALA CB C 17.879 0.1 1
984 . 95 ALA N N 126.897 0.1 1
985 . 96 GLY H H 8.289 0.02 1
986 . 96 GLY HA2 H 4.347 0.02 2
987 . 96 GLY HA3 H 3.655 0.02 2
988 . 96 GLY C C 172.404 0.1 1
989 . 96 GLY CA C 43.570 0.1 1
990 . 96 GLY N N 111.803 0.1 1
991 . 97 ASN H H 8.238 0.02 1
992 . 97 ASN HA H 5.170 0.02 1
993 . 97 ASN HB2 H 2.248 0.02 2
994 . 97 ASN HB3 H 2.360 0.02 2
995 . 97 ASN HD21 H 6.059 0.02 2
996 . 97 ASN HD22 H 7.353 0.02 2
997 . 97 ASN C C 175.620 0.1 1
998 . 97 ASN CA C 53.900 0.1 1
999 . 97 ASN CB C 40.926 0.1 1
1000 . 97 ASN N N 120.440 0.1 1
1001 . 97 ASN ND2 N 110.731 0.1 1
1002 . 98 HIS H H 8.997 0.02 1
1003 . 98 HIS HA H 4.672 0.02 1
1004 . 98 HIS HB2 H 2.457 0.02 2
1005 . 98 HIS HB3 H 2.695 0.02 2
1006 . 98 HIS HD2 H 7.050 0.02 1
1007 . 98 HIS HE1 H 8.710 0.02 1
1008 . 98 HIS C C 172.379 0.1 1
1009 . 98 HIS CA C 54.413 0.1 1
1010 . 98 HIS CB C 33.685 0.1 1
1011 . 98 HIS CD2 C 120.500 0.1 1
1012 . 98 HIS CE1 C 136.626 0.1 1
1013 . 98 HIS N N 121.964 0.1 1
1014 . 99 SER H H 8.619 0.02 1
1015 . 99 SER HA H 5.748 0.02 1
1016 . 99 SER HB2 H 3.257 0.02 2
1017 . 99 SER HB3 H 3.476 0.02 2
1018 . 99 SER C C 174.096 0.1 1
1019 . 99 SER CA C 56.465 0.1 1
1020 . 99 SER CB C 65.257 0.1 1
1021 . 99 SER N N 116.169 0.1 1
1022 . 100 PHE H H 8.872 0.02 1
1023 . 100 PHE HA H 5.380 0.02 1
1024 . 100 PHE HB2 H 2.879 0.02 2
1025 . 100 PHE HB3 H 3.147 0.02 2
1026 . 100 PHE HD1 H 7.416 0.02 1
1027 . 100 PHE HD2 H 7.416 0.02 1
1028 . 100 PHE HE1 H 6.950 0.02 1
1029 . 100 PHE HZ H 6.785 0.02 1
1030 . 100 PHE C C 174.808 0.1 1
1031 . 100 PHE CA C 55.583 0.1 1
1032 . 100 PHE CB C 45.848 0.1 1
1033 . 100 PHE CD1 C 133.035 0.1 1
1034 . 100 PHE CD2 C 133.035 0.1 1
1035 . 100 PHE CE1 C 130.965 0.1 1
1036 . 100 PHE CE2 C 130.965 0.1 1
1037 . 100 PHE CZ C 128.135 0.1 1
1038 . 100 PHE N N 119.041 0.1 1
1039 . 101 GLY H H 9.456 0.02 1
1040 . 101 GLY HA2 H 3.892 0.02 2
1041 . 101 GLY HA3 H 5.579 0.02 2
1042 . 101 GLY C C 181.604 0.1 1
1043 . 101 GLY CA C 46.032 0.1 1
1044 . 101 GLY N N 108.067 0.1 1
1045 . 102 VAL H H 8.386 0.02 1
1046 . 102 VAL HA H 5.051 0.02 1
1047 . 102 VAL HB H 1.536 0.02 1
1048 . 102 VAL HG1 H 0.545 0.02 1
1049 . 102 VAL HG2 H 0.780 0.02 1
1050 . 102 VAL C C 172.940 0.1 1
1051 . 102 VAL CA C 60.331 0.1 1
1052 . 102 VAL CB C 36.003 0.1 1
1053 . 102 VAL CG1 C 22.261 0.1 1
1054 . 102 VAL CG2 C 22.261 0.1 1
1055 . 102 VAL N N 119.847 0.1 1
1056 . 103 ARG H H 9.363 0.02 1
1057 . 103 ARG HA H 4.954 0.02 1
1058 . 103 ARG HB2 H 1.412 0.02 2
1059 . 103 ARG HB3 H 1.702 0.02 2
1060 . 103 ARG HG2 H 1.236 0.02 1
1061 . 103 ARG HG3 H 1.236 0.02 1
1062 . 103 ARG HD2 H 2.914 0.02 1
1063 . 103 ARG HD3 H 2.914 0.02 1
1064 . 103 ARG C C 172.485 0.1 1
1065 . 103 ARG CA C 53.596 0.1 1
1066 . 103 ARG CB C 34.843 0.1 1
1067 . 103 ARG CG C 26.515 0.1 1
1068 . 103 ARG CD C 43.322 0.1 1
1069 . 103 ARG N N 123.840 0.1 1
1070 . 104 VAL H H 8.252 0.02 1
1071 . 104 VAL HA H 4.711 0.02 1
1072 . 104 VAL HB H 2.133 0.02 1
1073 . 104 VAL HG1 H 0.755 0.02 1
1074 . 104 VAL HG2 H 0.887 0.02 1
1075 . 104 VAL C C 177.701 0.1 1
1076 . 104 VAL CA C 60.154 0.1 1
1077 . 104 VAL CB C 31.852 0.1 1
1078 . 104 VAL CG1 C 22.036 0.1 1
1079 . 104 VAL CG2 C 20.683 0.1 1
1080 . 104 VAL N N 120.821 0.1 1
1081 . 105 GLY H H 10.746 0.02 1
1082 . 105 GLY HA2 H 3.830 0.02 2
1083 . 105 GLY HA3 H 4.340 0.02 2
1084 . 105 GLY C C 174.995 0.1 1
1085 . 105 GLY CA C 44.041 0.1 1
1086 . 105 GLY N N 119.276 0.1 1
1087 . 106 SER H H 8.527 0.02 1
1088 . 106 SER HA H 3.976 0.02 1
1089 . 106 SER HB2 H 3.841 0.02 1
1090 . 106 SER HB3 H 3.841 0.02 1
1091 . 106 SER C C 175.771 0.1 1
1092 . 106 SER CA C 61.800 0.1 1
1093 . 106 SER CB C 62.677 0.1 1
1094 . 106 SER N N 113.671 0.1 1
1095 . 107 SER H H 8.353 0.02 1
1096 . 107 SER HA H 4.680 0.02 1
1097 . 107 SER HB2 H 3.804 0.02 2
1098 . 107 SER HB3 H 3.952 0.02 2
1099 . 107 SER C C 174.102 0.1 1
1100 . 107 SER CA C 57.521 0.1 1
1101 . 107 SER CB C 63.449 0.1 1
1102 . 107 SER N N 114.197 0.1 1
1103 . 108 ASP H H 7.111 0.02 1
1104 . 108 ASP HA H 4.708 0.02 1
1105 . 108 ASP HB2 H 3.048 0.02 2
1106 . 108 ASP HB3 H 3.978 0.02 2
1107 . 108 ASP C C 176.541 0.1 1
1108 . 108 ASP CA C 54.352 0.1 1
1109 . 108 ASP CB C 41.700 0.1 1
1110 . 108 ASP N N 123.317 0.1 1
1111 . 109 TRP H H 9.271 0.02 1
1112 . 109 TRP HA H 4.772 0.02 1
1113 . 109 TRP HB2 H 3.045 0.02 2
1114 . 109 TRP HB3 H 3.676 0.02 2
1115 . 109 TRP HD1 H 7.288 0.02 1
1116 . 109 TRP HE1 H 10.397 0.02 1
1117 . 109 TRP HE3 H 7.834 0.02 1
1118 . 109 TRP HZ2 H 7.461 0.02 1
1119 . 109 TRP HZ3 H 7.136 0.02 1
1120 . 109 TRP HH2 H 7.184 0.02 1
1121 . 109 TRP C C 178.428 0.1 1
1122 . 109 TRP CA C 57.054 0.1 1
1123 . 109 TRP CB C 31.072 0.1 1
1124 . 109 TRP CD1 C 125.789 0.1 1
1125 . 109 TRP CE3 C 120.597 0.1 1
1126 . 109 TRP CZ2 C 115.260 0.1 1
1127 . 109 TRP CZ3 C 122.651 0.1 1
1128 . 109 TRP CH2 C 125.385 0.1 1
1129 . 109 TRP N N 119.216 0.1 1
1130 . 109 TRP NE1 N 131.051 0.1 1
1131 . 110 GLY H H 9.234 0.02 1
1132 . 110 GLY HA2 H 3.739 0.02 2
1133 . 110 GLY HA3 H 4.252 0.02 2
1134 . 110 GLY C C 174.056 0.02 1
1135 . 110 GLY CA C 45.867 0.02 1
1136 . 110 GLY N N 111.685 0.02 1
1137 . 111 TYR H H 7.469 0.02 1
1138 . 111 TYR HA H 4.173 0.02 1
1139 . 111 TYR HB2 H 2.561 0.02 2
1140 . 111 TYR HB3 H 2.976 0.02 2
1141 . 111 TYR HD1 H 7.189 0.02 1
1142 . 111 TYR HE1 H 6.678 0.02 1
1143 . 111 TYR C C 173.567 0.1 1
1144 . 111 TYR CA C 60.446 0.1 1
1145 . 111 TYR CB C 38.316 0.1 1
1146 . 111 TYR CD1 C 134.040 0.1 1
1147 . 111 TYR CD2 C 134.040 0.1 1
1148 . 111 TYR CE1 C 117.630 0.1 1
1149 . 111 TYR CE2 C 117.630 0.1 1
1150 . 111 TYR N N 112.919 0.1 1
1151 . 112 MET H H 6.944 0.02 1
1152 . 112 MET HA H 4.641 0.02 1
1153 . 112 MET HB2 H 2.195 0.02 2
1154 . 112 MET HB3 H 2.756 0.02 2
1155 . 112 MET HG2 H 1.933 0.02 2
1156 . 112 MET HG3 H 1.594 0.02 2
1157 . 112 MET HE H 1.024 0.02 1
1158 . 112 MET C C 172.293 0.1 1
1159 . 112 MET CA C 55.526 0.1 1
1160 . 112 MET CB C 32.906 0.1 1
1161 . 112 MET CG C 31.421 0.1 1
1162 . 112 MET CE C 16.925 0.1 1
1163 . 112 MET N N 110.457 0.1 1
1164 . 113 ASN H H 8.853 0.02 1
1165 . 113 ASN HA H 5.768 0.02 1
1166 . 113 ASN HB2 H 2.059 0.02 2
1167 . 113 ASN HB3 H 3.189 0.02 2
1168 . 113 ASN HD21 H 6.496 0.02 1
1169 . 113 ASN HD22 H 6.856 0.02 1
1170 . 113 ASN C C 174.764 0.1 1
1171 . 113 ASN CA C 52.361 0.1 1
1172 . 113 ASN CB C 41.680 0.1 1
1173 . 113 ASN N N 115.901 0.1 1
1174 . 113 ASN ND2 N 108.926 0.1 1
1175 . 114 VAL H H 9.507 0.02 1
1176 . 114 VAL HA H 4.502 0.02 1
1177 . 114 VAL HB H 1.973 0.02 1
1178 . 114 VAL HG1 H 0.779 0.02 1
1179 . 114 VAL HG2 H 1.120 0.02 1
1180 . 114 VAL C C 174.602 0.1 1
1181 . 114 VAL CA C 62.325 0.1 1
1182 . 114 VAL CB C 33.255 0.1 1
1183 . 114 VAL CG1 C 20.954 0.1 1
1184 . 114 VAL CG2 C 23.095 0.1 1
1185 . 114 VAL N N 121.238 0.1 1
1186 . 115 HIS H H 9.549 0.02 1
1187 . 115 HIS HA H 4.700 0.02 1
1188 . 115 HIS HB2 H 2.890 0.02 2
1189 . 115 HIS HB3 H 3.181 0.02 2
1190 . 115 HIS HE1 H 7.853 0.02 1
1191 . 115 HIS C C 175.555 0.1 1
1192 . 115 HIS CA C 59.218 0.1 1
1193 . 115 HIS CB C 30.593 0.1 1
1194 . 115 HIS CE1 C 144.002 0.1 1
1195 . 115 HIS N N 125.470 0.1 1
1196 . 116 SER H H 7.763 0.02 1
1197 . 116 SER HA H 5.159 0.02 1
1198 . 116 SER HB2 H 3.689 0.02 2
1199 . 116 SER HB3 H 3.893 0.02 2
1200 . 116 SER C C 169.981 0.1 1
1201 . 116 SER CA C 57.984 0.1 1
1202 . 116 SER CB C 65.079 0.1 1
1203 . 116 SER N N 108.594 0.1 1
1204 . 117 LEU H H 8.524 0.02 1
1205 . 117 LEU HA H 4.812 0.02 1
1206 . 117 LEU HB2 H -0.576 0.02 2
1207 . 117 LEU HB3 H 0.268 0.02 2
1208 . 117 LEU HG H 0.215 0.02 1
1209 . 117 LEU HD1 H 0.315 0.02 1
1210 . 117 LEU HD2 H 0.315 0.02 1
1211 . 117 LEU C C 173.663 0.1 1
1212 . 117 LEU CA C 52.248 0.1 1
1213 . 117 LEU CB C 43.783 0.1 1
1214 . 117 LEU CG C 26.512 0.1 1
1215 . 117 LEU CD1 C 22.305 0.1 1
1216 . 117 LEU CD2 C 22.305 0.1 1
1217 . 117 LEU N N 123.345 0.1 1
1218 . 118 LYS H H 9.036 0.02 1
1219 . 118 LYS HA H 5.627 0.02 1
1220 . 118 LYS HB2 H 1.525 0.02 2
1221 . 118 LYS HB3 H 1.681 0.02 2
1222 . 118 LYS HG2 H 0.743 0.02 2
1223 . 118 LYS HG3 H 1.387 0.02 2
1224 . 118 LYS HD2 H 1.329 0.02 2
1225 . 118 LYS HD3 H 1.373 0.02 2
1226 . 118 LYS HE2 H 2.526 0.02 2
1227 . 118 LYS HE3 H 2.600 0.02 2
1228 . 118 LYS C C 175.728 0.1 1
1229 . 118 LYS CA C 54.039 0.1 1
1230 . 118 LYS CB C 35.756 0.1 1
1231 . 118 LYS CG C 25.069 0.1 1
1232 . 118 LYS CD C 29.051 0.1 1
1233 . 118 LYS CE C 41.454 0.1 1
1234 . 118 LYS N N 127.079 0.1 1
1235 . 119 LEU H H 9.297 0.02 1
1236 . 119 LEU HA H 5.380 0.02 1
1237 . 119 LEU HB2 H 1.572 0.02 2
1238 . 119 LEU HB3 H 1.913 0.02 2
1239 . 119 LEU HG H 1.353 0.02 1
1240 . 119 LEU HD1 H 0.278 0.02 1
1241 . 119 LEU HD2 H 0.496 0.02 1
1242 . 119 LEU C C 175.749 0.1 1
1243 . 119 LEU CA C 53.657 0.1 1
1244 . 119 LEU CB C 45.572 0.1 1
1245 . 119 LEU CG C 28.514 0.1 1
1246 . 119 LEU CD1 C 25.283 0.1 1
1247 . 119 LEU CD2 C 25.283 0.1 1
1248 . 119 LEU N N 129.826 0.1 1
1249 . 120 GLU H H 8.988 0.02 1
1250 . 120 GLU HA H 4.955 0.02 1
1251 . 120 GLU HB2 H 1.919 0.02 1
1252 . 120 GLU HB3 H 1.919 0.02 1
1253 . 120 GLU HG2 H 1.798 0.02 1
1254 . 120 GLU HG3 H 1.798 0.02 1
1255 . 120 GLU C C 174.800 0.1 1
1256 . 120 GLU CA C 54.236 0.1 1
1257 . 120 GLU CB C 33.124 0.1 1
1258 . 120 GLU CG C 36.864 0.1 1
1259 . 120 GLU N N 120.482 0.1 1
1260 . 121 LEU H H 8.572 0.02 1
1261 . 121 LEU HA H 3.807 0.02 1
1262 . 121 LEU HB2 H 1.329 0.02 2
1263 . 121 LEU HB3 H 1.756 0.02 2
1264 . 121 LEU HG H 0.804 0.02 1
1265 . 121 LEU HD1 H 0.252 0.02 1
1266 . 121 LEU HD2 H 0.252 0.02 1
1267 . 121 LEU C C 176.026 0.1 1
1268 . 121 LEU CA C 54.776 0.1 1
1269 . 121 LEU CB C 42.228 0.1 1
1270 . 121 LEU CG C 26.361 0.1 1
1271 . 121 LEU CD1 C 20.670 0.1 1
1272 . 121 LEU CD2 C 20.670 0.1 1
1273 . 121 LEU N N 126.972 0.1 1
1274 . 122 LEU H H 8.847 0.02 1
1275 . 122 LEU HA H 4.326 0.02 1
1276 . 122 LEU HB2 H 1.302 0.02 2
1277 . 122 LEU HB3 H 1.536 0.02 2
1278 . 122 LEU HG H 0.645 0.02 1
1279 . 122 LEU HD1 H 0.559 0.02 1
1280 . 122 LEU HD2 H 0.559 0.02 1
1281 . 122 LEU C C 177.619 0.1 1
1282 . 122 LEU CA C 54.532 0.1 1
1283 . 122 LEU CB C 41.204 0.1 1
1284 . 122 LEU CG C 25.785 0.1 1
1285 . 122 LEU CD1 C 21.737 0.1 1
1286 . 122 LEU CD2 C 21.737 0.1 1
1287 . 122 LEU N N 129.761 0.1 1
1288 . 123 GLY H H 7.665 0.02 1
1289 . 123 GLY HA2 H 3.812 0.02 2
1290 . 123 GLY HA3 H 4.003 0.02 2
1291 . 123 GLY C C 173.715 0.1 1
1292 . 123 GLY CA C 45.036 0.1 1
1293 . 123 GLY N N 106.738 0.1 1
1294 . 124 GLY H H 8.277 0.02 1
1295 . 124 GLY HA2 H 3.883 0.02 2
1296 . 124 GLY HA3 H 3.780 0.02 2
1297 . 124 GLY C C 173.755 0.1 1
1298 . 124 GLY CA C 44.976 0.1 1
1299 . 124 GLY N N 108.728 0.1 1
1300 . 125 LEU H H 7.931 0.02 1
1301 . 125 LEU HA H 4.324 0.02 1
1302 . 125 LEU CA C 55.290 0.1 1
1303 . 125 LEU N N 108.160 0.1 1
1304 . 126 THR H H 7.650 0.02 1
1305 . 126 THR HA H 4.073 0.02 1
1306 . 126 THR HB H 4.147 0.02 1
1307 . 126 THR HG2 H 1.048 0.02 1
1308 . 126 THR CA C 62.721 0.1 1
1309 . 126 THR CB C 70.540 0.1 1
1310 . 126 THR CG2 C 21.505 0.1 1
1311 . 126 THR N N 119.170 0.1 1
1312 . 127 ILE HA H 3.574 0.02 1
1313 . 127 ILE HB H 1.877 0.02 1
1314 . 127 ILE HG12 H 1.365 0.02 2
1315 . 127 ILE HG13 H 1.164 0.02 2
1316 . 127 ILE HG2 H 0.901 0.02 1
1317 . 127 ILE HD1 H 0.834 0.02 1
1318 . 127 ILE CA C 62.053 0.1 1
1319 . 127 ILE CB C 38.203 0.1 1
1320 . 127 ILE CG1 C 26.891 0.1 1
1321 . 127 ILE CG2 C 17.192 0.1 1
1322 . 127 ILE CD1 C 13.562 0.1 1
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