data_5942
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C, 15N chemical shift assignment of hypothetical protein hi0004 from
Haemophilus Influenzae
;
_BMRB_accession_number 5942
_BMRB_flat_file_name bmr5942.str
_Entry_type original
_Submission_date 2003-09-09
_Accession_date 2003-09-09
_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 Yeh Deokcheon . .
2 Orban John . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 858
"13C chemical shifts" 620
"15N chemical shifts" 157
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2004-04-07 original author .
stop_
_Original_release_date 2004-04-07
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letter to the Editor: NMR assignment of the hypothetical protein HI0004 from
Haemophilus Influenzae - a putative essential gene product
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 15017148
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 'Cheon Yeh' Deok . .
2 Parsons James F. .
3 Parsons Lisa M. .
4 Liu Fang . .
5 Eisenstein Edward . .
6 Orban John . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 29
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 101
_Page_last 102
_Year 2004
_Details .
save_
#######################################
# Cited references within the entry #
#######################################
save_ref_1
_Saveframe_category citation
_Citation_full
;
Whole-genome random sequencing and assembley of Haemophilus influenzae Rd.
Science 269 July 28 496-512 (1995).
;
_Citation_title 'Whole-genome random sequencing and assembly of Haemophilus influenzae Rd.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 7542800
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Fleischmann 'R D' D. .
2 Adams 'M D' D. .
3 White O . .
4 Clayton 'R A' A. .
5 Kirkness 'E F' F. .
6 Kerlavage 'A R' R. .
7 Bult 'C J' J. .
8 Tomb 'J F' F. .
9 Dougherty 'B A' A. .
10 Merrick 'J M' M. .
stop_
_Journal_abbreviation Science
_Journal_name_full 'Science (New York, N.Y.)'
_Journal_volume 269
_Journal_issue 5223
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first 496
_Page_last 512
_Year 1995
_Details
;
An approach for genome analysis based on sequencing and assembly of unselected
pieces of DNA from the whole chromosome has been applied to obtain the complete
nucleotide sequence (1,830,137 base pairs) of the genome from the bacterium
Haemophilus influenzae Rd. This approach eliminates the need for initial
mapping efforts and is therefore applicable to the vast array of microbial
species for which genome maps are unavailable. The H. influenzae Rd genome
sequence (Genome Sequence DataBase accession number L42023) represents the only
complete genome sequence from a free-living organism.
;
save_
##################################
# Molecular system description #
##################################
save_system_hi0004
_Saveframe_category molecular_system
_Mol_system_name 'hypothetical protein hi0004'
_Abbreviation_common hi0004
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'hypothetical protein hi0004' $hi0004
stop_
_System_molecular_weight 17355.4
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_hi0004
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'hypothetical protein hi0004'
_Abbreviation_common hi0004
_Molecular_mass 17355.4
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 154
_Mol_residue_sequence
;
MGSVLVDLQIATENIEGLPT
EEQIVQWATGAVQPEGNEVE
MTVRIVDEAESHELNLTYRG
KDRPTNVLSFPFECPDEVEL
PLLGDLVICRQVVEREASEQ
EKPLMAHWAHMVVHGSLHLL
GYDHIEDDEAEEMESLETQI
MQGLGFDDPYLAEK
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLY 3 SER 4 VAL 5 LEU
6 VAL 7 ASP 8 LEU 9 GLN 10 ILE
11 ALA 12 THR 13 GLU 14 ASN 15 ILE
16 GLU 17 GLY 18 LEU 19 PRO 20 THR
21 GLU 22 GLU 23 GLN 24 ILE 25 VAL
26 GLN 27 TRP 28 ALA 29 THR 30 GLY
31 ALA 32 VAL 33 GLN 34 PRO 35 GLU
36 GLY 37 ASN 38 GLU 39 VAL 40 GLU
41 MET 42 THR 43 VAL 44 ARG 45 ILE
46 VAL 47 ASP 48 GLU 49 ALA 50 GLU
51 SER 52 HIS 53 GLU 54 LEU 55 ASN
56 LEU 57 THR 58 TYR 59 ARG 60 GLY
61 LYS 62 ASP 63 ARG 64 PRO 65 THR
66 ASN 67 VAL 68 LEU 69 SER 70 PHE
71 PRO 72 PHE 73 GLU 74 CYS 75 PRO
76 ASP 77 GLU 78 VAL 79 GLU 80 LEU
81 PRO 82 LEU 83 LEU 84 GLY 85 ASP
86 LEU 87 VAL 88 ILE 89 CYS 90 ARG
91 GLN 92 VAL 93 VAL 94 GLU 95 ARG
96 GLU 97 ALA 98 SER 99 GLU 100 GLN
101 GLU 102 LYS 103 PRO 104 LEU 105 MET
106 ALA 107 HIS 108 TRP 109 ALA 110 HIS
111 MET 112 VAL 113 VAL 114 HIS 115 GLY
116 SER 117 LEU 118 HIS 119 LEU 120 LEU
121 GLY 122 TYR 123 ASP 124 HIS 125 ILE
126 GLU 127 ASP 128 ASP 129 GLU 130 ALA
131 GLU 132 GLU 133 MET 134 GLU 135 SER
136 LEU 137 GLU 138 THR 139 GLN 140 ILE
141 MET 142 GLN 143 GLY 144 LEU 145 GLY
146 PHE 147 ASP 148 ASP 149 PRO 150 TYR
151 LEU 152 ALA 153 GLU 154 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-12-21
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 1XAX "Nmr Structure Of Hi0004, A Putative Essential Gene Product From Haemophilus Influenzae" 100.00 154 100.00 100.00 1.12e-106
EMBL CBW28195 "conserved protein [Haemophilus influenzae 10810]" 100.00 154 97.40 98.70 1.77e-104
EMBL CBY80274 "conserved protein [Haemophilus influenzae F3031]" 100.00 154 99.35 100.00 2.94e-106
EMBL CBY85750 "conserved protein [Haemophilus influenzae F3047]" 100.00 154 97.40 98.70 7.74e-104
GB AAC21683 "conserved hypothetical protein [Haemophilus influenzae Rd KW20]" 100.00 154 100.00 100.00 1.12e-106
GB AAX87007 "conserved hypothetical protein [Haemophilus influenzae 86-028NP]" 100.00 154 98.70 99.35 2.45e-105
GB ABQ98085 "hypothetical protein CGSHiEE_03300 [Haemophilus influenzae PittEE]" 100.00 154 97.40 98.70 1.38e-104
GB ABQ99533 "hypothetical protein CGSHiGG_02480 [Haemophilus influenzae PittGG]" 100.00 154 98.70 99.35 2.45e-105
GB ADO80661 "Conserved hypothetical protein [Haemophilus influenzae R2866]" 100.00 154 97.40 98.70 1.38e-104
REF NP_438177 "metalloprotease [Haemophilus influenzae Rd KW20]" 100.00 154 100.00 100.00 1.12e-106
REF WP_005649893 "16S rRNA maturation RNase YbeY [Haemophilus influenzae]" 100.00 154 97.40 98.70 1.38e-104
REF WP_005652669 "16S rRNA maturation RNase YbeY [Haemophilus influenzae]" 100.00 154 98.70 99.35 2.73e-105
REF WP_005663323 "16S rRNA maturation RNase YbeY [Haemophilus influenzae]" 100.00 154 100.00 100.00 1.12e-106
REF WP_005687437 "16S rRNA maturation RNase YbeY [Haemophilus influenzae]" 100.00 154 98.70 99.35 2.45e-105
SP A5UBD4 "RecName: Full=Endoribonuclease YbeY [Haemophilus influenzae PittEE]" 100.00 154 97.40 98.70 1.38e-104
SP A5UFH8 "RecName: Full=Endoribonuclease YbeY [Haemophilus influenzae PittGG]" 100.00 154 98.70 99.35 2.45e-105
SP P71335 "RecName: Full=Endoribonuclease YbeY [Haemophilus influenzae Rd KW20]" 100.00 154 100.00 100.00 1.12e-106
SP Q4QPP0 "RecName: Full=Endoribonuclease YbeY [Haemophilus influenzae 86-028NP]" 100.00 154 98.70 99.35 2.45e-105
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$hi0004 'Haemophilus influenzae' 727 Eubacteria . Haemophilus influenzae
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$hi0004 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) .
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
$hi0004 1.5 mM '[U-95% 13C; U-90% 15N]'
phosphate 50 mM .
Nacl 100 mM .
DTT 1 mM .
EDTA 0.5 mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_list
_Saveframe_category NMR_spectrometer
_Manufacturer unknown
_Model unknown
_Field_strength 0
_Details 'spectrometer information not available'
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.0 . n/a
temperature 298 . K
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
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
H2O H 1 protons ppm 4.75 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_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 'hypothetical protein hi0004'
_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 17.678 0.039 1
2 . 1 MET HE H 2.005 0.002 1
3 . 2 GLY C C 167.819 0 1
4 . 2 GLY CA C 44.242 0.08 1
5 . 2 GLY HA2 H 3.736 0.009 1
6 . 2 GLY HA3 H 3.736 0.009 1
7 . 3 SER CA C 58.223 0.078 1
8 . 3 SER CB C 65.367 0.095 1
9 . 3 SER HA H 4.688 0.027 1
10 . 3 SER H H 8.24 0.007 1
11 . 3 SER N N 113.956 0.402 1
12 . 3 SER C C 171.366 0 1
13 . 4 VAL C C 172.525 0 1
14 . 4 VAL CA C 62.611 0.241 1
15 . 4 VAL CB C 33.65 0.066 1
16 . 4 VAL CG1 C 23.493 0.367 1
17 . 4 VAL CG2 C 22.408 0.5 1
18 . 4 VAL HA H 4.008 0.025 1
19 . 4 VAL HB H 1.705 0.024 1
20 . 4 VAL HG1 H 0.711 0.011 1
21 . 4 VAL HG2 H 0.654 0.021 1
22 . 4 VAL H H 7.863 0.017 1
23 . 4 VAL N N 122.121 0.379 1
24 . 5 LEU C C 173.641 0 1
25 . 5 LEU CA C 54.625 0.204 1
26 . 5 LEU CB C 42.224 0.229 1
27 . 5 LEU CD1 C 24.773 0.39 1
28 . 5 LEU CD2 C 25.339 0.344 1
29 . 5 LEU CG C 27.838 0.081 1
30 . 5 LEU HA H 4.351 0.016 1
31 . 5 LEU HB2 H 1.607 0 1
32 . 5 LEU HB3 H 1.427 0 1
33 . 5 LEU HD1 H 0.717 0.009 1
34 . 5 LEU HD2 H 0.773 0.016 1
35 . 5 LEU HG H 1.457 0.058 1
36 . 5 LEU H H 8.905 0.013 1
37 . 5 LEU N N 129.109 0.354 1
38 . 6 VAL C C 173.038 0 1
39 . 6 VAL CA C 61.355 0.076 1
40 . 6 VAL CB C 34.449 0.066 1
41 . 6 VAL CG1 C 23.234 0.157 1
42 . 6 VAL CG2 C 21.399 0.185 1
43 . 6 VAL HA H 4.643 0.021 1
44 . 6 VAL HB H 1.773 0.011 1
45 . 6 VAL HG1 H 0.654 0.024 1
46 . 6 VAL HG2 H 0.629 0.016 1
47 . 6 VAL H H 7.981 0.012 1
48 . 6 VAL N N 125.111 0.345 1
49 . 7 ASP C C 172.102 0 1
50 . 7 ASP CA C 53.312 0.062 1
51 . 7 ASP CB C 41.257 0.157 1
52 . 7 ASP HA H 4.668 0.013 1
53 . 7 ASP HB2 H 2.793 0.011 2
54 . 7 ASP HB3 H 2.53 0.006 2
55 . 7 ASP H H 8.51 0.012 1
56 . 7 ASP N N 128.642 0.371 1
57 . 8 LEU C C 173.365 0 1
58 . 8 LEU CA C 54.369 0.16 1
59 . 8 LEU CB C 43.683 0.143 1
60 . 8 LEU CD1 C 26.7 0.108 1
61 . 8 LEU CD2 C 24.078 0.224 1
62 . 8 LEU CG C 27.344 0 1
63 . 8 LEU HA H 4.989 0.012 1
64 . 8 LEU HB2 H 1.996 0.011 2
65 . 8 LEU HB3 H 0.866 0.012 2
66 . 8 LEU HD1 H 0.704 0.006 1
67 . 8 LEU HD2 H 0.701 0.013 1
68 . 8 LEU HG H 1.255 0.016 1
69 . 8 LEU H H 8.449 0.017 1
70 . 8 LEU N N 128.013 0.439 1
71 . 9 GLN C C 172.135 0 1
72 . 9 GLN CA C 54.352 0.134 1
73 . 9 GLN CB C 30.011 0.042 1
74 . 9 GLN CG C 33.042 0.14 1
75 . 9 GLN HA H 4.512 0.025 1
76 . 9 GLN HB2 H 1.772 0.028 1
77 . 9 GLN HB3 H 1.772 0.028 1
78 . 9 GLN HE21 H 7.637 0.009 2
79 . 9 GLN HE22 H 6.568 0.011 2
80 . 9 GLN HG2 H 2.203 0.033 1
81 . 9 GLN HG3 H 2.203 0.033 1
82 . 9 GLN H H 9.353 0.014 1
83 . 9 GLN N N 129.31 0.36 1
84 . 9 GLN NE2 N 112.108 0.101 1
85 . 10 ILE C C 173.206 0 1
86 . 10 ILE CA C 61.493 0.164 1
87 . 10 ILE CB C 37.129 0.194 1
88 . 10 ILE CD1 C 12.733 0.141 1
89 . 10 ILE CG1 C 27.344 0 1
90 . 10 ILE CG2 C 19.334 0.169 1
91 . 10 ILE HA H 4.068 0.035 1
92 . 10 ILE HB H 1.95 0.029 1
93 . 10 ILE HD1 H 0.702 0.016 1
94 . 10 ILE HG12 H 1.843 0.028 2
95 . 10 ILE HG13 H 1.733 0.03 2
96 . 10 ILE HG2 H 0.835 0.018 1
97 . 10 ILE H H 8.826 0.023 1
98 . 10 ILE N N 125.005 0.395 1
99 . 11 ALA C C 174.243 0 1
100 . 11 ALA CA C 51.51 0.094 1
101 . 11 ALA CB C 19.907 0.08 1
102 . 11 ALA HA H 4.747 0.009 1
103 . 11 ALA HB H 1.367 0.014 1
104 . 11 ALA H H 9.01 0.01 1
105 . 11 ALA N N 133.661 0.3 1
106 . 12 THR C C 172.413 0 1
107 . 12 THR CA C 59.231 0.137 1
108 . 12 THR CB C 69.761 0.097 1
109 . 12 THR CG2 C 24.058 0.105 1
110 . 12 THR HA H 4.427 0.023 1
111 . 12 THR HB H 4.333 0.013 1
112 . 12 THR HG2 H 1.052 0.014 1
113 . 12 THR H H 6.975 0.01 1
114 . 12 THR N N 111.131 0.369 1
115 . 13 GLU C C 174.801 0 1
116 . 13 GLU CA C 59.456 0.048 1
117 . 13 GLU CB C 30.374 0.151 1
118 . 13 GLU CG C 37.017 0.035 1
119 . 13 GLU HA H 3.937 0.012 1
120 . 13 GLU HB2 H 1.98 0.022 1
121 . 13 GLU HB3 H 1.98 0.022 1
122 . 13 GLU HG2 H 2.224 0.048 1
123 . 13 GLU HG3 H 2.224 0.048 1
124 . 13 GLU H H 9.506 0.026 1
125 . 13 GLU N N 125.087 0.354 1
126 . 14 ASN C C 174.776 0 1
127 . 14 ASN CA C 52.148 0.033 1
128 . 14 ASN CB C 39.738 0.128 1
129 . 14 ASN HA H 4.911 0.008 1
130 . 14 ASN HB2 H 2.916 0.006 2
131 . 14 ASN HB3 H 2.679 0.016 2
132 . 14 ASN HD21 H 7.535 0.008 2
133 . 14 ASN HD22 H 6.904 0.01 2
134 . 14 ASN H H 8.73 0.024 1
135 . 14 ASN N N 117.334 0.323 1
136 . 14 ASN ND2 N 112.152 0.024 1
137 . 15 ILE C C 173.942 0 1
138 . 15 ILE CA C 62.109 0.191 1
139 . 15 ILE CB C 38.433 0.459 1
140 . 15 ILE CD1 C 14.803 0.014 1
141 . 15 ILE CG1 C 26.681 0.058 1
142 . 15 ILE CG2 C 19.296 0.227 1
143 . 15 ILE HA H 4.187 0.026 1
144 . 15 ILE HB H 2.006 0.008 1
145 . 15 ILE HD1 H 0.796 0.014 1
146 . 15 ILE HG12 H 1.163 0.005 2
147 . 15 ILE HG13 H 1.239 0.031 2
148 . 15 ILE HG2 H 0.801 0.016 1
149 . 15 ILE H H 8.567 0.024 1
150 . 15 ILE N N 121.051 0.329 1
151 . 16 GLU C C 175.447 0 1
152 . 16 GLU CA C 56.9 0.035 1
153 . 16 GLU CB C 31.023 0.153 1
154 . 16 GLU CG C 37.121 0.103 1
155 . 16 GLU HA H 4.256 0.024 1
156 . 16 GLU HB2 H 2.004 0.012 1
157 . 16 GLU HB3 H 2.004 0.012 1
158 . 16 GLU HG2 H 2.228 0.038 1
159 . 16 GLU HG3 H 2.228 0.038 1
160 . 16 GLU H H 7.999 0.009 1
161 . 16 GLU N N 122.519 0.353 1
162 . 17 GLY C C 171.901 0 1
163 . 17 GLY CA C 46.929 0.151 1
164 . 17 GLY HA2 H 3.938 0.014 2
165 . 17 GLY HA3 H 3.664 0.023 2
166 . 17 GLY H H 8.818 0.011 1
167 . 17 GLY N N 110.024 0.344 1
168 . 18 LEU CA C 52.259 0.041 1
169 . 18 LEU CB C 42.413 0.214 1
170 . 18 LEU CD1 C 24.69 0.098 1
171 . 18 LEU CD2 C 26.847 0.101 1
172 . 18 LEU HA H 4.216 0.011 1
173 . 18 LEU HB2 H 1.468 0.039 1
174 . 18 LEU HB3 H 1.468 0.039 1
175 . 18 LEU HD1 H 0.812 0.012 1
176 . 18 LEU HD2 H 0.828 0.006 1
177 . 18 LEU H H 7.414 0.021 1
178 . 18 LEU N N 118.868 0.348 1
179 . 19 PRO C C 172.771 0 1
180 . 19 PRO CA C 62.804 0.121 1
181 . 19 PRO CB C 32.598 0.089 1
182 . 19 PRO CD C 49.728 0.155 1
183 . 19 PRO CG C 28.305 0 1
184 . 19 PRO HA H 4.334 0.01 1
185 . 19 PRO HB2 H 2.03 0.013 1
186 . 19 PRO HB3 H 2.03 0.013 1
187 . 19 PRO HD2 H 3.154 0.023 2
188 . 19 PRO HD3 H 3.43 0.009 2
189 . 19 PRO HG2 H 1.836 0.012 1
190 . 19 PRO HG3 H 1.836 0.012 1
191 . 20 THR C C 173.273 0 1
192 . 20 THR CA C 60.22 0.077 1
193 . 20 THR CB C 71.923 0.05 1
194 . 20 THR CG2 C 22.659 0.039 1
195 . 20 THR HA H 4.102 0.01 1
196 . 20 THR HB H 4.536 0.007 1
197 . 20 THR HG2 H 1.161 0.012 1
198 . 20 THR H H 8.439 0.02 1
199 . 20 THR N N 109.735 0.342 1
200 . 21 GLU C C 174.878 0 1
201 . 21 GLU CA C 60.855 0.049 1
202 . 21 GLU CB C 30.409 0.138 1
203 . 21 GLU CG C 36.979 0.026 1
204 . 21 GLU HA H 3.485 0.01 1
205 . 21 GLU HB2 H 2.008 0.015 2
206 . 21 GLU HB3 H 1.844 0.02 2
207 . 21 GLU HG2 H 2.067 0.037 1
208 . 21 GLU HG3 H 2.067 0.037 1
209 . 21 GLU H H 8.739 0.01 1
210 . 21 GLU N N 120.761 0.373 1
211 . 22 GLU C C 177.288 0 1
212 . 22 GLU CA C 60.617 0.09 1
213 . 22 GLU CB C 29.818 0.064 1
214 . 22 GLU CG C 37.115 0.042 1
215 . 22 GLU HA H 3.704 0.006 1
216 . 22 GLU HB2 H 1.863 0.019 2
217 . 22 GLU HB3 H 1.707 0.024 2
218 . 22 GLU HG2 H 2.105 0.026 1
219 . 22 GLU HG3 H 2.105 0.026 1
220 . 22 GLU H H 8.191 0.007 1
221 . 22 GLU N N 115.824 0.298 1
222 . 23 GLN CA C 59.49 0.081 1
223 . 23 GLN CB C 28.472 0.047 1
224 . 23 GLN CG C 35.941 0.114 1
225 . 23 GLN HA H 3.155 0.009 1
226 . 23 GLN HB2 H 1.608 0.013 1
227 . 23 GLN HB3 H 1.608 0.013 1
228 . 23 GLN HE21 H 7.769 0.021 2
229 . 23 GLN HE22 H 6.289 0.012 2
230 . 23 GLN HG2 H 2.052 0.025 2
231 . 23 GLN HG3 H 1.947 0.012 2
232 . 23 GLN H H 7.278 0.015 1
233 . 23 GLN N N 119.436 0.308 1
234 . 23 GLN NE2 N 110.641 0.06 1
235 . 23 GLN C C 173.373 0 1
236 . 24 ILE C C 175.715 0 1
237 . 24 ILE CA C 65.521 0.319 1
238 . 24 ILE CB C 37.17 0.059 1
239 . 24 ILE CD1 C 12.912 0.184 1
240 . 24 ILE CG1 C 29.867 0.075 1
241 . 24 ILE CG2 C 19.297 0.127 1
242 . 24 ILE HA H 3.292 0.015 1
243 . 24 ILE HB H 1.77 0.013 1
244 . 24 ILE HD1 H 0.555 0.013 1
245 . 24 ILE HG12 H 1.362 0.013 2
246 . 24 ILE HG13 H 1.009 0.015 2
247 . 24 ILE HG2 H 0.847 0.043 1
248 . 24 ILE H H 7.37 0.008 1
249 . 24 ILE N N 116.308 0.287 1
250 . 25 VAL C C 177.756 0 1
251 . 25 VAL CA C 67.532 0.228 1
252 . 25 VAL CB C 32.579 0.118 1
253 . 25 VAL CG1 C 24.664 0.027 1
254 . 25 VAL CG2 C 21.926 0.096 1
255 . 25 VAL HA H 3.357 0.017 1
256 . 25 VAL HB H 1.99 0.011 1
257 . 25 VAL HG1 H 1.008 0.055 1
258 . 25 VAL HG2 H 0.947 0.04 1
259 . 25 VAL H H 8.539 0.015 1
260 . 25 VAL N N 118.626 0.385 1
261 . 26 GLN C C 175.581 0 1
262 . 26 GLN CA C 59.708 0.231 1
263 . 26 GLN CB C 28.417 0 1
264 . 26 GLN CG C 32.569 0 1
265 . 26 GLN HA H 3.912 0.024 1
266 . 26 GLN HB2 H 1.926 0.007 1
267 . 26 GLN HB3 H 1.926 0.007 1
268 . 26 GLN HE21 H 7.335 0.011 2
269 . 26 GLN HE22 H 6.703 0.011 2
270 . 26 GLN HG2 H 2.461 0.016 1
271 . 26 GLN HG3 H 2.461 0.016 1
272 . 26 GLN H H 7.815 0.015 1
273 . 26 GLN N N 123.7 0.309 1
274 . 26 GLN NE2 N 111.09 0.065 1
275 . 27 TRP C C 175.815 0 1
276 . 27 TRP CA C 62.688 0.127 1
277 . 27 TRP CB C 30.524 0.14 1
278 . 27 TRP CD1 C 118.024 0 1
279 . 27 TRP HA H 3.634 0.01 1
280 . 27 TRP HB2 H 3.329 0.03 2
281 . 27 TRP HB3 H 3.17 0.021 2
282 . 27 TRP HD1 H 7.177 0 1
283 . 27 TRP HE1 H 11.039 0.008 1
284 . 27 TRP HE3 H 7.4 0.019 1
285 . 27 TRP H H 8.061 0.011 1
286 . 27 TRP N N 118.846 0.388 1
287 . 27 TRP NE1 N 130.05 0.094 1
288 . 28 ALA C C 176.886 0 1
289 . 28 ALA CA C 55.963 0.101 1
290 . 28 ALA CB C 17.623 0.095 1
291 . 28 ALA HA H 2.819 0.022 1
292 . 28 ALA HB H -0.444 0.022 1
293 . 28 ALA H H 7.345 0.013 1
294 . 28 ALA N N 120.305 0.35 1
295 . 29 THR C C 174.733 0 1
296 . 29 THR CA C 58.95 0.206 1
297 . 29 THR CB C 69.188 0.141 1
298 . 29 THR CG2 C 22.715 0.019 1
299 . 29 THR HA H 4.307 0.025 1
300 . 29 THR HB H 4.312 0.013 1
301 . 29 THR HG2 H 1.291 0.018 1
302 . 29 THR H H 7.382 0.026 1
303 . 29 THR N N 116.655 0.416 1
304 . 30 GLY C C 171.466 0 1
305 . 30 GLY CA C 47.588 0.097 1
306 . 30 GLY HA2 H 3.9 0.005 2
307 . 30 GLY HA3 H 3.54 0.007 2
308 . 30 GLY H H 8.123 0.011 1
309 . 30 GLY N N 109.093 0.302 1
310 . 31 ALA C C 174.544 0 1
311 . 31 ALA CA C 54.414 0.124 1
312 . 31 ALA CB C 21.282 0.117 1
313 . 31 ALA HA H 4.368 0.011 1
314 . 31 ALA HB H 1.527 0.012 1
315 . 31 ALA H H 7.424 0.012 1
316 . 31 ALA N N 119.873 0.331 1
317 . 32 VAL C C 173.908 0 1
318 . 32 VAL CA C 64.778 0.174 1
319 . 32 VAL CB C 34.007 0.215 1
320 . 32 VAL CG1 C 22.856 0.14 1
321 . 32 VAL CG2 C 22.659 0.123 1
322 . 32 VAL HA H 3.673 0.017 1
323 . 32 VAL HB H 1.773 0.01 1
324 . 32 VAL HG1 H 0.882 0.023 1
325 . 32 VAL HG2 H 0.786 0.03 1
326 . 32 VAL H H 8.31 0.012 1
327 . 32 VAL N N 114.746 0.319 1
328 . 33 GLN CA C 56.242 0.074 1
329 . 33 GLN CB C 28.112 0 1
330 . 33 GLN HA H 4.04 0.021 1
331 . 33 GLN HB2 H 2.075 0.041 1
332 . 33 GLN HB3 H 2.075 0.041 1
333 . 33 GLN HE21 H 7.4 0.005 2
334 . 33 GLN HE22 H 6.739 0.023 2
335 . 33 GLN HG2 H 2.168 0.055 1
336 . 33 GLN HG3 H 2.168 0.055 1
337 . 33 GLN H H 8.515 0.017 1
338 . 33 GLN N N 114.052 0.314 1
339 . 33 GLN NE2 N 112.065 0.113 1
340 . 34 PRO C C 175.28 0 1
341 . 34 PRO CA C 63.75 0.111 1
342 . 34 PRO CB C 32.514 0.045 1
343 . 34 PRO CD C 50.976 0 1
344 . 34 PRO HA H 4.345 0.008 1
345 . 34 PRO HB2 H 1.827 0.009 1
346 . 34 PRO HB3 H 1.827 0.009 1
347 . 34 PRO HG2 H 1.941 0.001 1
348 . 34 PRO HG3 H 1.941 0.001 1
349 . 35 GLU CA C 57.408 0.134 1
350 . 35 GLU CB C 30.593 0.141 1
351 . 35 GLU CG C 36.853 0.233 1
352 . 35 GLU HA H 4.201 0.022 1
353 . 35 GLU HB2 H 1.888 0.031 1
354 . 35 GLU HB3 H 1.888 0.031 1
355 . 35 GLU HG2 H 2.19 0.015 1
356 . 35 GLU HG3 H 2.19 0.015 1
357 . 35 GLU H H 8.649 0.012 1
358 . 35 GLU N N 122.141 0.42 1
359 . 36 GLY C C 171.767 0 1
360 . 36 GLY CA C 45.584 0.022 1
361 . 36 GLY HA2 H 4.649 0.002 1
362 . 36 GLY HA3 H 4.649 0.002 1
363 . 36 GLY H H 8.291 0.017 1
364 . 36 GLY N N 109.497 0.417 1
365 . 37 ASN C C 173.105 0 1
366 . 37 ASN CA C 53.567 0.173 1
367 . 37 ASN CB C 40.654 0.068 1
368 . 37 ASN HA H 3.826 0 1
369 . 37 ASN HB2 H 2.813 0.019 2
370 . 37 ASN HB3 H 2.616 0.011 2
371 . 37 ASN HD21 H 7.49 0.012 2
372 . 37 ASN HD22 H 6.838 0.012 2
373 . 37 ASN H H 8.154 0.019 1
374 . 37 ASN N N 118.29 0.402 1
375 . 37 ASN ND2 N 113.304 0.086 1
376 . 38 GLU CA C 56.8 0.016 1
377 . 38 GLU CB C 31.519 0.051 1
378 . 38 GLU H H 8.341 0.009 1
379 . 38 GLU N N 119.233 0.431 1
380 . 39 VAL C C 175.079 0 1
381 . 39 VAL CA C 62.481 0.183 1
382 . 39 VAL CB C 34.043 0.149 1
383 . 39 VAL CG1 C 22.187 0.116 1
384 . 39 VAL CG2 C 22.669 0.036 1
385 . 39 VAL HA H 4.36 0.025 1
386 . 39 VAL HB H 1.984 0.017 1
387 . 39 VAL HG1 H 0.839 0.006 1
388 . 39 VAL HG2 H 0.848 0.007 1
389 . 39 VAL H H 8.265 0.027 1
390 . 39 VAL N N 119.764 0.501 1
391 . 40 GLU C C 176.92 0 1
392 . 40 GLU CA C 54.889 0.071 1
393 . 40 GLU CB C 33.882 0.122 1
394 . 40 GLU CG C 37.374 0 1
395 . 40 GLU HA H 5.415 0.025 1
396 . 40 GLU HB2 H 1.947 0.014 2
397 . 40 GLU HB3 H 1.672 0.02 2
398 . 40 GLU HG2 H 2.077 0.016 1
399 . 40 GLU HG3 H 2.077 0.016 1
400 . 40 GLU H H 8.103 0.038 1
401 . 40 GLU N N 123.612 0.377 1
402 . 41 MET C C 171.867 0 1
403 . 41 MET CA C 55.708 0.141 1
404 . 41 MET CB C 39.071 0.076 1
405 . 41 MET CE C 16.953 0.102 1
406 . 41 MET CG C 30.919 0.179 1
407 . 41 MET HA H 4.901 0.011 1
408 . 41 MET HB2 H 1.776 0.03 1
409 . 41 MET HB3 H 1.776 0.03 1
410 . 41 MET HE H 1.817 0.016 1
411 . 41 MET HG2 H 1.991 0.025 1
412 . 41 MET HG3 H 1.991 0.025 1
413 . 41 MET H H 8.359 0.018 1
414 . 41 MET N N 118.758 0.365 1
415 . 42 THR C C 171.734 0 1
416 . 42 THR CA C 62.427 0.138 1
417 . 42 THR CB C 70.667 0.094 1
418 . 42 THR CG2 C 22.192 0.083 1
419 . 42 THR HA H 5.016 0.022 1
420 . 42 THR HB H 4.153 0.012 1
421 . 42 THR HG2 H 1.057 0.01 1
422 . 42 THR H H 8.437 0.011 1
423 . 42 THR N N 121.418 0.38 1
424 . 43 VAL C C 172.626 0 1
425 . 43 VAL CA C 62.196 0.144 1
426 . 43 VAL CB C 34.431 0.058 1
427 . 43 VAL CG1 C 22.567 0.112 1
428 . 43 VAL CG2 C 21.369 0.059 1
429 . 43 VAL HA H 4.608 0.011 1
430 . 43 VAL HB H 1.707 0.031 1
431 . 43 VAL HG1 H 0.747 0.018 1
432 . 43 VAL HG2 H 0.741 0.007 1
433 . 43 VAL H H 8.676 0.012 1
434 . 43 VAL N N 126.505 0.372 1
435 . 44 ARG C C 172.626 0 1
436 . 44 ARG CA C 54.242 0.094 1
437 . 44 ARG CB C 33.207 0.129 1
438 . 44 ARG CD C 43.959 0 1
439 . 44 ARG HA H 5.531 0.008 1
440 . 44 ARG HB2 H 1.765 0.015 2
441 . 44 ARG HB3 H 1.461 0.015 2
442 . 44 ARG HD2 H 3.123 0 2
443 . 44 ARG HD3 H 2.755 0 2
444 . 44 ARG HG2 H 1.468 0.007 1
445 . 44 ARG HG3 H 1.468 0.007 1
446 . 44 ARG H H 9.422 0.011 1
447 . 44 ARG N N 129.437 0.328 1
448 . 45 ILE C C 173.239 0 1
449 . 45 ILE CA C 61.018 0.142 1
450 . 45 ILE CB C 39.216 0.28 1
451 . 45 ILE CD1 C 14.137 0.02 1
452 . 45 ILE CG1 C 28.59 0 1
453 . 45 ILE CG2 C 19.381 0.088 1
454 . 45 ILE HA H 5.18 0.012 1
455 . 45 ILE HB H 1.772 0.021 1
456 . 45 ILE HD1 H 0.645 0.02 1
457 . 45 ILE HG12 H 1.203 0.018 2
458 . 45 ILE HG13 H 1.041 0.024 2
459 . 45 ILE HG2 H 1.223 0.009 1
460 . 45 ILE H H 8.74 0.015 1
461 . 45 ILE N N 127.238 0.344 1
462 . 46 VAL C C 173.473 0 1
463 . 46 VAL CA C 59.33 0.128 1
464 . 46 VAL CB C 36.774 0.119 1
465 . 46 VAL CG1 C 19.471 0.267 1
466 . 46 VAL CG2 C 24.183 0 1
467 . 46 VAL HA H 4.764 0.009 1
468 . 46 VAL HB H 1.654 0 1
469 . 46 VAL HG1 H 0.608 0.004 1
470 . 46 VAL HG2 H 0.738 0.023 1
471 . 46 VAL H H 8.794 0.014 1
472 . 46 VAL N N 117.275 0.334 1
473 . 47 ASP C C 176.05 0 1
474 . 47 ASP CA C 54.282 0.061 1
475 . 47 ASP CB C 43.118 0.117 1
476 . 47 ASP HA H 6.214 0.027 1
477 . 47 ASP HB2 H 3.063 0.02 2
478 . 47 ASP HB3 H 2.815 0.028 2
479 . 47 ASP H H 8.301 0.027 1
480 . 47 ASP N N 120.178 0.533 1
481 . 48 GLU C C 176.117 0 1
482 . 48 GLU CA C 60.821 0.374 1
483 . 48 GLU CB C 31.609 0.034 1
484 . 48 GLU CG C 39.586 0 1
485 . 48 GLU HA H 4.132 0.017 1
486 . 48 GLU HB2 H 1.927 0.016 1
487 . 48 GLU HB3 H 1.927 0.016 1
488 . 48 GLU HG2 H 2.488 0.033 1
489 . 48 GLU HG3 H 2.488 0.033 1
490 . 48 GLU H H 7.435 0.011 1
491 . 48 GLU N N 117.064 0.417 1
492 . 49 ALA C C 172.938 0 1
493 . 49 ALA CA C 56.647 0.171 1
494 . 49 ALA CB C 18.088 0.06 1
495 . 49 ALA HA H 4.103 0.013 1
496 . 49 ALA HB H 1.373 0.008 1
497 . 49 ALA H H 8.767 0.03 1
498 . 49 ALA N N 120.533 0.3 1
499 . 50 GLU C C 175.882 0 1
500 . 50 GLU CA C 59.66 0.153 1
501 . 50 GLU CB C 30.627 0.061 1
502 . 50 GLU CG C 36.433 0 1
503 . 50 GLU HA H 4.125 0.032 1
504 . 50 GLU HB2 H 1.771 0.01 1
505 . 50 GLU HB3 H 1.771 0.01 1
506 . 50 GLU HG2 H 2.009 0.023 1
507 . 50 GLU HG3 H 2.009 0.023 1
508 . 50 GLU H H 7.732 0.028 1
509 . 50 GLU N N 119.847 0.389 1
510 . 51 SER C C 173.808 0 1
511 . 51 SER CA C 62.668 0.183 1
512 . 51 SER CB C 64.448 0.224 1
513 . 51 SER HA H 3.858 0.02 1
514 . 51 SER HB2 H 3.855 0.015 1
515 . 51 SER HB3 H 3.855 0.015 1
516 . 51 SER H H 7.272 0.013 1
517 . 51 SER N N 110.219 0.408 1
518 . 52 HIS C C 175.082 0 1
519 . 52 HIS CA C 57.098 0.252 1
520 . 52 HIS CB C 32.34 0.131 1
521 . 52 HIS CE1 C 130.952 0 1
522 . 52 HIS HA H 4.198 0.025 1
523 . 52 HIS HB2 H 3.421 0.011 2
524 . 52 HIS HB3 H 2.955 0.02 2
525 . 52 HIS HD2 H 6.711 0.038 1
526 . 52 HIS HE1 H 7.072 0.045 1
527 . 52 HIS H H 9.033 0.016 1
528 . 52 HIS N N 116.926 0.386 1
529 . 53 GLU C C 177.723 0 1
530 . 53 GLU CA C 59.843 0.675 1
531 . 53 GLU CB C 30.137 0.093 1
532 . 53 GLU CG C 36.755 0.166 1
533 . 53 GLU HA H 3.916 0.03 1
534 . 53 GLU HB2 H 2.093 0.022 1
535 . 53 GLU HB3 H 2.093 0.022 1
536 . 53 GLU HG2 H 2.148 0.031 1
537 . 53 GLU HG3 H 2.148 0.031 1
538 . 53 GLU H H 8.126 0.014 1
539 . 53 GLU N N 119.417 0.372 1
540 . 54 LEU C C 176.935 0 1
541 . 54 LEU CA C 58.333 0.157 1
542 . 54 LEU CB C 44.514 0.231 1
543 . 54 LEU CD1 C 23.964 0.076 1
544 . 54 LEU CD2 C 27.983 0.087 1
545 . 54 LEU HA H 4.269 0.025 1
546 . 54 LEU HB2 H 2.1 0.017 1
547 . 54 LEU HB3 H 2.1 0.017 1
548 . 54 LEU HD1 H 0.968 0.005 1
549 . 54 LEU HD2 H 0.964 0.021 1
550 . 54 LEU HG H 1.506 0.02 1
551 . 54 LEU H H 8.203 0.013 1
552 . 54 LEU N N 120.012 0.346 1
553 . 55 ASN C C 178.057 0 1
554 . 55 ASN CA C 55.463 0.006 1
555 . 55 ASN CB C 38.467 0.108 1
556 . 55 ASN HA H 4.617 0.012 1
557 . 55 ASN HB2 H 3.577 0.019 2
558 . 55 ASN HB3 H 2.905 0.011 2
559 . 55 ASN HD21 H 7.66 0.008 2
560 . 55 ASN HD22 H 6.447 0.014 2
561 . 55 ASN H H 9.057 0.011 1
562 . 55 ASN N N 121.098 0.334 1
563 . 55 ASN ND2 N 109.51 0.078 1
564 . 56 LEU C C 178.024 0 1
565 . 56 LEU CA C 58.965 0.178 1
566 . 56 LEU CB C 43.298 0.112 1
567 . 56 LEU CD1 C 25.936 0.078 1
568 . 56 LEU CD2 C 26.571 0.086 1
569 . 56 LEU CG C 27.306 0.033 1
570 . 56 LEU HA H 3.861 0.046 1
571 . 56 LEU HB2 H 1.84 0.016 2
572 . 56 LEU HB3 H 1.568 0.022 2
573 . 56 LEU HD1 H 0.762 0.007 1
574 . 56 LEU HD2 H 0.608 0.011 1
575 . 56 LEU HG H 1.448 0.025 1
576 . 56 LEU H H 8.826 0.025 1
577 . 56 LEU N N 122.933 0.365 1
578 . 57 THR C C 173.942 0 1
579 . 57 THR CA C 67.261 0.076 1
580 . 57 THR CB C 69.903 0.076 1
581 . 57 THR CG2 C 21.251 0.147 1
582 . 57 THR HA H 3.637 0.005 1
583 . 57 THR HB H 3.84 0.051 1
584 . 57 THR HG2 H 0.508 0.008 1
585 . 57 THR H H 8.371 0.013 1
586 . 57 THR N N 116.168 0.37 1
587 . 58 TYR C C 175.487 0 1
588 . 58 TYR CA C 61.143 0.021 1
589 . 58 TYR CB C 39.607 0.189 1
590 . 58 TYR CD1 C 130.808 0 1
591 . 58 TYR CE1 C 115.93 0 1
592 . 58 TYR HA H 4.631 0.02 1
593 . 58 TYR HB2 H 3.321 0.011 2
594 . 58 TYR HB3 H 3.068 0.011 2
595 . 58 TYR HD1 H 7.39 0.012 1
596 . 58 TYR HD2 H 7.39 0.012 1
597 . 58 TYR HE1 H 6.743 0.011 1
598 . 58 TYR HE2 H 6.743 0.011 1
599 . 58 TYR H H 8.698 0.01 1
600 . 58 TYR N N 115.168 0.353 1
601 . 59 ARG C C 174.812 0 1
602 . 59 ARG CA C 54.626 0.032 1
603 . 59 ARG CB C 31.258 0.008 1
604 . 59 ARG CD C 43.429 0.091 1
605 . 59 ARG HA H 4.854 0.017 1
606 . 59 ARG HB2 H 1.838 0.015 1
607 . 59 ARG HB3 H 1.838 0.015 1
608 . 59 ARG HD2 H 3.316 0.051 2
609 . 59 ARG HD3 H 3.144 0.019 2
610 . 59 ARG H H 7.736 0.014 1
611 . 59 ARG N N 115.986 0.393 1
612 . 60 GLY C C 172.035 0 1
613 . 60 GLY CA C 47.116 0.09 1
614 . 60 GLY HA2 H 3.978 0.012 1
615 . 60 GLY HA3 H 3.978 0.012 1
616 . 60 GLY H H 7.593 0.019 1
617 . 60 GLY N N 109.778 0.362 1
618 . 61 LYS C C 172.353 0 1
619 . 61 LYS CA C 55.022 0.062 1
620 . 61 LYS CB C 34.727 0.061 1
621 . 61 LYS CD C 29.721 0 1
622 . 61 LYS CG C 24.598 0 1
623 . 61 LYS HA H 4.462 0.023 1
624 . 61 LYS HB2 H 1.603 0.014 1
625 . 61 LYS HB3 H 1.603 0.014 1
626 . 61 LYS HD2 H 1.336 0.024 1
627 . 61 LYS HD3 H 1.336 0.024 1
628 . 61 LYS HE2 H 2.909 0 1
629 . 61 LYS HE3 H 2.909 0 1
630 . 61 LYS HG2 H 1.271 0.085 1
631 . 61 LYS HG3 H 1.271 0.085 1
632 . 61 LYS H H 7.176 0.012 1
633 . 61 LYS N N 120.94 0.379 1
634 . 62 ASP C C 175.213 0 1
635 . 62 ASP CA C 53.397 0.028 1
636 . 62 ASP CB C 40.446 0.077 1
637 . 62 ASP HA H 4.64 0.016 1
638 . 62 ASP HB2 H 2.853 0.023 2
639 . 62 ASP HB3 H 2.341 0.012 2
640 . 62 ASP H H 8.421 0.013 1
641 . 62 ASP N N 124.02 0.379 1
642 . 63 ARG CA C 54.525 0.166 1
643 . 63 ARG CB C 29.434 0 1
644 . 63 ARG HA H 3.725 0.007 1
645 . 63 ARG HB2 H 1.908 0.015 1
646 . 63 ARG HB3 H 1.908 0.015 1
647 . 63 ARG HD2 H 3.147 0.014 1
648 . 63 ARG HD3 H 3.147 0.014 1
649 . 63 ARG HG2 H 1.866 0.008 1
650 . 63 ARG HG3 H 1.866 0.008 1
651 . 63 ARG H H 7.854 0.018 1
652 . 63 ARG N N 117.555 0.413 1
653 . 64 PRO C C 172.47 0 1
654 . 64 PRO CA C 63.038 0.089 1
655 . 64 PRO CB C 32.337 0.156 1
656 . 64 PRO HA H 4.349 0.01 1
657 . 64 PRO HB2 H 1.802 0.007 1
658 . 64 PRO HB3 H 1.802 0.007 1
659 . 64 PRO HG2 H 1.263 0.006 1
660 . 64 PRO HG3 H 1.263 0.006 1
661 . 65 THR C C 170.094 0 1
662 . 65 THR CA C 59.821 0.081 1
663 . 65 THR CB C 70.664 0.078 1
664 . 65 THR CG2 C 19.358 0.042 1
665 . 65 THR HA H 4.472 0.024 1
666 . 65 THR HB H 3.653 0.009 1
667 . 65 THR HG2 H 0.723 0.011 1
668 . 65 THR H H 7.948 0.008 1
669 . 65 THR N N 112.028 0.318 1
670 . 66 ASN C C 172.036 0 1
671 . 66 ASN CA C 58.066 0.061 1
672 . 66 ASN CB C 37.128 0.125 1
673 . 66 ASN HA H 3.831 0.007 1
674 . 66 ASN HB2 H 2.764 0.017 1
675 . 66 ASN HB3 H 2.764 0.017 1
676 . 66 ASN HD21 H 9.266 0.045 2
677 . 66 ASN HD22 H 6.578 0.019 2
678 . 66 ASN H H 8.362 0.008 1
679 . 66 ASN N N 123.48 0.356 1
680 . 66 ASN ND2 N 117.865 0.076 1
681 . 67 VAL C C 170.83 0 1
682 . 67 VAL CA C 59.83 0.141 1
683 . 67 VAL CB C 35.788 0.086 1
684 . 67 VAL CG1 C 23.715 0.23 1
685 . 67 VAL CG2 C 19.899 0.099 1
686 . 67 VAL HA H 4.847 0.036 1
687 . 67 VAL HB H 1.666 0.012 1
688 . 67 VAL HG1 H 0.712 0.013 1
689 . 67 VAL HG2 H 0.842 0.045 1
690 . 67 VAL H H 9.549 0.013 1
691 . 67 VAL N N 119.46 0.361 1
692 . 68 LEU C C 172.507 0 1
693 . 68 LEU CA C 53.663 0.117 1
694 . 68 LEU CB C 47.106 0.102 1
695 . 68 LEU CD1 C 25.814 0.281 1
696 . 68 LEU CD2 C 27.94 0.061 1
697 . 68 LEU CG C 32.493 0.12 1
698 . 68 LEU HA H 4.325 0.019 1
699 . 68 LEU HB2 H 1.536 0.015 2
700 . 68 LEU HB3 H 0.999 0.036 2
701 . 68 LEU HD1 H 0.76 0.026 1
702 . 68 LEU HD2 H 0.873 0.032 1
703 . 68 LEU HG H 1.221 0.087 1
704 . 68 LEU H H 8.554 0.011 1
705 . 68 LEU N N 129.271 0.361 1
706 . 69 SER C C 174.009 0 1
707 . 69 SER CA C 56.729 0.051 1
708 . 69 SER CB C 64.879 0.123 1
709 . 69 SER HA H 5.013 0.021 1
710 . 69 SER HB2 H 3.376 0.009 1
711 . 69 SER HB3 H 3.376 0.009 1
712 . 69 SER H H 7.965 0.016 1
713 . 69 SER N N 116.041 0.383 1
714 . 70 PHE CA C 54.675 0.031 1
715 . 70 PHE CB C 40.594 0.169 1
716 . 70 PHE CD1 C 129.967 0 1
717 . 70 PHE CE1 C 128.350 0 1
718 . 70 PHE CZ C 125.622 0 1
719 . 70 PHE HA H 4.467 0.025 1
720 . 70 PHE HB2 H 2.89 0.03 1
721 . 70 PHE HB3 H 2.89 0.03 1
722 . 70 PHE HD1 H 6.962 0.018 1
723 . 70 PHE HD2 H 6.962 0.018 1
724 . 70 PHE HE1 H 6.676 0.008 1
725 . 70 PHE HE2 H 6.676 0.008 1
726 . 70 PHE H H 9.078 0.016 1
727 . 70 PHE HZ H 6.769 0.012 1
728 . 70 PHE N N 122.358 0.431 1
729 . 71 PRO C C 173.818 0 1
730 . 71 PRO CA C 63.728 0.055 1
731 . 71 PRO CB C 33.207 0.268 1
732 . 71 PRO CG C 28.341 0.043 1
733 . 71 PRO HA H 4.628 0.017 1
734 . 71 PRO HB2 H 2.469 0.008 1
735 . 71 PRO HB3 H 2.469 0.008 1
736 . 71 PRO HD2 H 3.768 0.029 1
737 . 71 PRO HD3 H 3.768 0.029 1
738 . 71 PRO HG2 H 1.76 0.017 1
739 . 71 PRO HG3 H 1.76 0.017 1
740 . 72 PHE C C 172.754 0 1
741 . 72 PHE CA C 58.219 0.1 1
742 . 72 PHE CB C 40.253 0.148 1
743 . 72 PHE CD1 C 130.718 0 1
744 . 72 PHE CE1 C 129.857 0 1
745 . 72 PHE CZ C 125.435 0 1
746 . 72 PHE HA H 4.536 0.011 1
747 . 72 PHE HB2 H 2.73 0.01 1
748 . 72 PHE HB3 H 2.73 0.01 1
749 . 72 PHE HD1 H 7.2 0.021 1
750 . 72 PHE HD2 H 7.2 0.021 1
751 . 72 PHE HE1 H 7.257 0.02 1
752 . 72 PHE HE2 H 7.257 0.02 1
753 . 72 PHE H H 7.914 0.011 1
754 . 72 PHE HZ H 7.196 0 1
755 . 72 PHE N N 124.812 0.363 1
756 . 73 GLU C C 172.035 0 1
757 . 73 GLU CA C 55.606 0.131 1
758 . 73 GLU CB C 30.61 0.094 1
759 . 73 GLU CG C 36.711 0.129 1
760 . 73 GLU HA H 4.194 0.022 1
761 . 73 GLU HB2 H 1.687 0.01 1
762 . 73 GLU HB3 H 1.687 0.01 1
763 . 73 GLU HG2 H 2.037 0.021 1
764 . 73 GLU HG3 H 2.037 0.021 1
765 . 73 GLU H H 7.981 0.012 1
766 . 73 GLU N N 128.86 0.39 1
767 . 74 CYS CA C 57.096 0 1
768 . 74 CYS CB C 28.541 0.176 1
769 . 74 CYS HA H 4.415 0.021 1
770 . 74 CYS HB2 H 2.869 0.01 2
771 . 74 CYS HB3 H 2.803 0.035 2
772 . 74 CYS H H 8.06 0.015 1
773 . 74 CYS N N 123.622 0.314 1
774 . 75 PRO C C 177.522 0 1
775 . 75 PRO CA C 63.855 0.212 1
776 . 75 PRO CB C 32.764 0.076 1
777 . 75 PRO CD C 51.621 0.116 1
778 . 75 PRO CG C 27.901 0.112 1
779 . 75 PRO HA H 4.414 0.013 1
780 . 75 PRO HB2 H 2.266 0.012 2
781 . 75 PRO HB3 H 1.912 0.025 2
782 . 75 PRO HD2 H 3.718 0.014 1
783 . 75 PRO HD3 H 3.718 0.014 1
784 . 75 PRO HG2 H 1.839 0.012 1
785 . 75 PRO HG3 H 1.839 0.012 1
786 . 76 ASP C C 173.105 0 1
787 . 76 ASP CA C 55.984 0.264 1
788 . 76 ASP CB C 41.464 0.303 1
789 . 76 ASP HA H 4.44 0.016 1
790 . 76 ASP HB2 H 2.604 0.027 1
791 . 76 ASP HB3 H 2.604 0.027 1
792 . 76 ASP H H 8.098 0.021 1
793 . 76 ASP N N 119.3 0.296 1
794 . 77 GLU C C 173.54 0 1
795 . 77 GLU CA C 57.915 0.139 1
796 . 77 GLU CB C 29.565 0.199 1
797 . 77 GLU CG C 37.029 0.035 1
798 . 77 GLU HA H 4.114 0.022 1
799 . 77 GLU HB2 H 2.006 0.011 1
800 . 77 GLU HB3 H 2.006 0.011 1
801 . 77 GLU HG2 H 2.157 0.03 1
802 . 77 GLU HG3 H 2.157 0.03 1
803 . 77 GLU H H 8.377 0.019 1
804 . 77 GLU N N 116.835 0.363 1
805 . 78 VAL C C 172.737 0 1
806 . 78 VAL CA C 62.149 0.141 1
807 . 78 VAL CB C 33.975 0.085 1
808 . 78 VAL CG1 C 21.422 0.074 1
809 . 78 VAL CG2 C 22.12 0.132 1
810 . 78 VAL HA H 4.14 0.008 1
811 . 78 VAL HB H 2.002 0.013 1
812 . 78 VAL HG1 H 0.839 0.005 1
813 . 78 VAL HG2 H 0.852 0.013 1
814 . 78 VAL H H 7.569 0.013 1
815 . 78 VAL N N 119.289 0.392 1
816 . 79 GLU C C 173.574 0 1
817 . 79 GLU CA C 57.007 0.12 1
818 . 79 GLU CB C 30.915 0.203 1
819 . 79 GLU CG C 37.047 0.051 1
820 . 79 GLU HA H 4.322 0.015 1
821 . 79 GLU HB2 H 1.857 0.024 1
822 . 79 GLU HB3 H 1.857 0.024 1
823 . 79 GLU HG2 H 2.111 0.022 1
824 . 79 GLU HG3 H 2.111 0.022 1
825 . 79 GLU H H 8.315 0.014 1
826 . 79 GLU N N 124.186 0.285 1
827 . 80 LEU CA C 52.748 0.012 1
828 . 80 LEU CB C 44.333 0.1 1
829 . 80 LEU CD1 C 24.168 0.096 1
830 . 80 LEU CD2 C 26.063 0.111 1
831 . 80 LEU CG C 27.892 0.011 1
832 . 80 LEU HA H 4.761 0.008 1
833 . 80 LEU HB2 H 1.57 0.02 2
834 . 80 LEU HB3 H 1.474 0.014 2
835 . 80 LEU HD1 H 0.838 0.005 1
836 . 80 LEU HD2 H 0.904 0.015 1
837 . 80 LEU HG H 1.562 0.016 1
838 . 80 LEU H H 7.87 0.016 1
839 . 80 LEU N N 124.014 0.38 1
840 . 81 PRO C C 173.172 0 1
841 . 81 PRO CA C 64.017 0.207 1
842 . 81 PRO CB C 31.682 0.084 1
843 . 81 PRO CD C 50.997 0.087 1
844 . 81 PRO CG C 28.857 0 1
845 . 81 PRO HA H 4.497 0.018 1
846 . 81 PRO HB2 H 1.979 0.033 1
847 . 81 PRO HB3 H 1.979 0.033 1
848 . 81 PRO HD2 H 3.654 0.014 1
849 . 81 PRO HD3 H 3.654 0.014 1
850 . 81 PRO HG2 H 1.886 0 1
851 . 81 PRO HG3 H 1.886 0 1
852 . 82 LEU C C 174.276 0 1
853 . 82 LEU CA C 54.764 0.078 1
854 . 82 LEU CB C 43.008 0.037 1
855 . 82 LEU CD1 C 25.319 0.029 1
856 . 82 LEU CD2 C 24.115 0.069 1
857 . 82 LEU CG C 27.943 0.027 1
858 . 82 LEU HA H 4.39 0.016 1
859 . 82 LEU HB2 H 1.087 0.02 2
860 . 82 LEU HB3 H 0.889 0.01 2
861 . 82 LEU HD1 H 0.314 0.063 1
862 . 82 LEU HD2 H 0.565 0.025 1
863 . 82 LEU HG H 1.042 0.008 1
864 . 82 LEU H H 6.73 0.022 1
865 . 82 LEU N N 121.475 0.262 1
866 . 83 LEU C C 176.476 0 1
867 . 83 LEU CA C 56.313 0.154 1
868 . 83 LEU CB C 45.119 0.147 1
869 . 83 LEU CD1 C 23.946 0.054 1
870 . 83 LEU CD2 C 26.66 0.05 1
871 . 83 LEU CG C 27.845 0.11 1
872 . 83 LEU HA H 4.499 0.022 1
873 . 83 LEU HB2 H 1.677 0.012 2
874 . 83 LEU HB3 H 1.45 0.016 2
875 . 83 LEU HD1 H 0.808 0.014 1
876 . 83 LEU HD2 H 0.777 0.015 1
877 . 83 LEU HG H 1.715 0.012 1
878 . 83 LEU H H 9.088 0.01 1
879 . 83 LEU N N 122.439 0.375 1
880 . 84 GLY C C 168.756 0 1
881 . 84 GLY CA C 44.991 0.091 1
882 . 84 GLY HA2 H 4.927 0.026 2
883 . 84 GLY HA3 H 3.74 0.02 2
884 . 84 GLY H H 7.35 0.009 1
885 . 84 GLY N N 104.673 0.383 1
886 . 85 ASP C C 173.306 0 1
887 . 85 ASP CA C 52.936 0.081 1
888 . 85 ASP CB C 43.982 0.114 1
889 . 85 ASP HA H 5.631 0.008 1
890 . 85 ASP HB2 H 2.473 0.016 2
891 . 85 ASP HB3 H 2.296 0.012 2
892 . 85 ASP H H 7.831 0.016 1
893 . 85 ASP N N 116.823 0.361 1
894 . 86 LEU C C 170.73 0 1
895 . 86 LEU CA C 53.739 0.181 1
896 . 86 LEU CB C 45.845 0.169 1
897 . 86 LEU CD1 C 25.323 0 1
898 . 86 LEU CD2 C 24.693 0.24 1
899 . 86 LEU CG C 27.720 0 1
900 . 86 LEU HA H 5.259 0.02 1
901 . 86 LEU HB2 H 1.901 0.015 2
902 . 86 LEU HB3 H 1.126 0.022 2
903 . 86 LEU HD1 H 0.86 0.017 1
904 . 86 LEU HD2 H 0.686 0.014 1
905 . 86 LEU HG H 1.67 0.006 1
906 . 86 LEU H H 8.923 0.009 1
907 . 86 LEU N N 119.181 0.402 1
908 . 87 VAL C C 174.42 0 1
909 . 87 VAL CA C 62.116 0.094 1
910 . 87 VAL CB C 34.224 0.048 1
911 . 87 VAL CG1 C 21.365 0.064 1
912 . 87 VAL CG2 C 23.27 0.081 1
913 . 87 VAL HA H 5.147 0.007 1
914 . 87 VAL HB H 1.998 0.011 1
915 . 87 VAL HG1 H 0.883 0.013 1
916 . 87 VAL HG2 H 0.803 0.008 1
917 . 87 VAL H H 9.089 0.015 1
918 . 87 VAL N N 122.456 0.406 1
919 . 88 ILE C C 172.436 0 1
920 . 88 ILE CA C 60.271 0.145 1
921 . 88 ILE CB C 41.933 0.118 1
922 . 88 ILE CD1 C 14.794 0.023 1
923 . 88 ILE CG1 C 28.586 0.012 1
924 . 88 ILE CG2 C 20.646 0.129 1
925 . 88 ILE HA H 5.114 0.021 1
926 . 88 ILE HB H 1.642 0.019 1
927 . 88 ILE HD1 H 0.777 0.01 1
928 . 88 ILE HG12 H 1.615 0.007 2
929 . 88 ILE HG13 H 1.572 0.01 2
930 . 88 ILE HG2 H 0.577 0.012 1
931 . 88 ILE H H 9.45 0.012 1
932 . 88 ILE N N 130.337 0.327 1
933 . 89 CYS C C 173.573 0 1
934 . 89 CYS CA C 56.797 0.06 1
935 . 89 CYS CB C 28.538 0.009 1
936 . 89 CYS HA H 5.156 0.019 1
937 . 89 CYS HB2 H 2.972 0.01 1
938 . 89 CYS HB3 H 2.972 0.01 1
939 . 89 CYS H H 8.227 0.016 1
940 . 89 CYS N N 127.338 0.339 1
941 . 90 ARG C C 176.786 0 1
942 . 90 ARG CA C 60.715 0.144 1
943 . 90 ARG CB C 28.633 0 1
944 . 90 ARG HA H 4.106 0.025 1
945 . 90 ARG HB2 H 1.723 0.011 1
946 . 90 ARG HB3 H 1.723 0.011 1
947 . 90 ARG HD2 H 2.947 0 1
948 . 90 ARG HD3 H 2.947 0 1
949 . 90 ARG H H 8.469 0.014 1
950 . 90 ARG N N 128.674 0.371 1
951 . 91 GLN C C 177.459 0 1
952 . 91 GLN CA C 62.2 0 1
953 . 91 GLN CB C 27.497 0 1
954 . 91 GLN CG C 35.769 0.081 1
955 . 91 GLN HA H 4.017 0.015 1
956 . 91 GLN HB2 H 1.773 0.005 1
957 . 91 GLN HB3 H 1.773 0.005 1
958 . 91 GLN HE21 H 8.469 0.009 2
959 . 91 GLN HE22 H 7.216 0.006 2
960 . 91 GLN HG2 H 2.718 0.003 2
961 . 91 GLN HG3 H 2.496 0.021 2
962 . 91 GLN H H 8.547 0.023 1
963 . 91 GLN N N 119.32 0.353 1
964 . 91 GLN NE2 N 112.599 0.163 1
965 . 92 VAL C C 174.845 0 1
966 . 92 VAL CA C 66.054 0.798 1
967 . 92 VAL CB C 33.149 0.183 1
968 . 92 VAL CG1 C 22.738 0.177 1
969 . 92 VAL CG2 C 23.214 0.132 1
970 . 92 VAL HA H 3.469 0.024 1
971 . 92 VAL HB H 1.487 0.016 1
972 . 92 VAL HG1 H 0.731 0.015 1
973 . 92 VAL HG2 H 0.671 0.015 1
974 . 92 VAL H H 6.91 0.014 1
975 . 92 VAL N N 118.413 0.391 1
976 . 93 VAL C C 175.657 0 1
977 . 93 VAL CA C 67.959 0.044 1
978 . 93 VAL CB C 32.344 0.149 1
979 . 93 VAL CG1 C 23.875 0.132 1
980 . 93 VAL CG2 C 19.922 0.017 1
981 . 93 VAL HA H 3.154 0.007 1
982 . 93 VAL HB H 1.197 0.013 1
983 . 93 VAL HG1 H 0.056 0.008 1
984 . 93 VAL HG2 H -0.445 0.008 1
985 . 93 VAL H H 7.432 0.014 1
986 . 93 VAL N N 118.97 0.293 1
987 . 94 GLU CA C 59.557 0.215 1
988 . 94 GLU CB C 30.044 0 1
989 . 94 GLU HA H 3.825 0.017 1
990 . 94 GLU HB2 H 1.998 0.003 1
991 . 94 GLU HB3 H 1.998 0.003 1
992 . 94 GLU HG2 H 2.564 0.041 2
993 . 94 GLU HG3 H 2.493 0.011 2
994 . 94 GLU H H 7.974 0.014 1
995 . 94 GLU N N 116.262 0.318 1
996 . 95 ARG C C 172.637 0 1
997 . 95 ARG CA C 60.171 0.065 1
998 . 95 ARG CB C 30.871 0.056 1
999 . 95 ARG CG C 28.196 0 1
1000 . 95 ARG HA H 3.998 0.028 1
1001 . 95 ARG HB2 H 1.795 0.013 1
1002 . 95 ARG HB3 H 1.795 0.013 1
1003 . 95 ARG H H 8.506 0.03 1
1004 . 95 ARG N N 118.052 0 1
1005 . 96 GLU C C 176.568 0 1
1006 . 96 GLU CA C 59.778 0.046 1
1007 . 96 GLU CB C 31.27 0.005 1
1008 . 96 GLU HA H 3.786 0.008 1
1009 . 96 GLU HB2 H 1.977 0.028 1
1010 . 96 GLU HB3 H 1.977 0.028 1
1011 . 96 GLU H H 8.585 0.013 1
1012 . 96 GLU N N 119.36 0.492 1
1013 . 97 ALA C C 177.053 0 1
1014 . 97 ALA CA C 56.263 0.078 1
1015 . 97 ALA CB C 18 0.109 1
1016 . 97 ALA HA H 3.236 0.007 1
1017 . 97 ALA HB H 1.334 0.01 1
1018 . 97 ALA H H 8.012 0.127 1
1019 . 97 ALA N N 119.415 0.333 1
1020 . 98 SER C C 176.418 0 1
1021 . 98 SER CA C 61.569 0.153 1
1022 . 98 SER CB C 63.454 0.083 1
1023 . 98 SER HA H 4.17 0.011 1
1024 . 98 SER HB2 H 3.961 0.008 1
1025 . 98 SER HB3 H 3.961 0.008 1
1026 . 98 SER H H 7.308 0.014 1
1027 . 98 SER N N 110.018 0.288 1
1028 . 99 GLU C C 176.518 0 1
1029 . 99 GLU CA C 59.676 0.109 1
1030 . 99 GLU CB C 30.557 0.097 1
1031 . 99 GLU CG C 37.216 0 1
1032 . 99 GLU HA H 3.901 0.016 1
1033 . 99 GLU HB2 H 1.9 0.01 1
1034 . 99 GLU HB3 H 1.9 0.01 1
1035 . 99 GLU HG2 H 2.171 0 1
1036 . 99 GLU HG3 H 2.171 0 1
1037 . 99 GLU H H 8.443 0.009 1
1038 . 99 GLU N N 122.017 0.297 1
1039 . 100 GLN C C 172.202 0 1
1040 . 100 GLN CA C 56.198 0.063 1
1041 . 100 GLN CB C 29.295 0.061 1
1042 . 100 GLN CG C 35.064 0.051 1
1043 . 100 GLN HA H 4.071 0.012 1
1044 . 100 GLN HB2 H 2.076 0.017 2
1045 . 100 GLN HB3 H 1.355 0.017 2
1046 . 100 GLN HE21 H 7.22 0.009 2
1047 . 100 GLN HE22 H 6.527 0.012 2
1048 . 100 GLN HG2 H 2.369 0.018 2
1049 . 100 GLN HG3 H 2.128 0.006 2
1050 . 100 GLN H H 7.944 0.011 1
1051 . 100 GLN N N 115.034 0.32 1
1052 . 100 GLN NE2 N 109.893 0.203 1
1053 . 101 GLU C C 174.226 0 1
1054 . 101 GLU CA C 57.52 0.077 1
1055 . 101 GLU CB C 27.407 0.007 1
1056 . 101 GLU HA H 3.759 0.006 1
1057 . 101 GLU HB2 H 2.054 0.006 1
1058 . 101 GLU HB3 H 2.054 0.006 1
1059 . 101 GLU H H 7.543 0.01 1
1060 . 101 GLU N N 117.295 0.319 1
1061 . 102 LYS C C 174.226 0 1
1062 . 102 LYS CA C 53.008 0.256 1
1063 . 102 LYS CB C 35.799 0.033 1
1064 . 102 LYS CE C 42.61 0.019 1
1065 . 102 LYS CG C 25.309 0 1
1066 . 102 LYS HA H 4.705 0.017 1
1067 . 102 LYS HB2 H 1.437 0.026 2
1068 . 102 LYS HB3 H 1.107 0.015 2
1069 . 102 LYS HE2 H 2.736 0.004 1
1070 . 102 LYS HE3 H 2.736 0.004 1
1071 . 102 LYS HG2 H 1.161 0.021 1
1072 . 102 LYS HG3 H 1.161 0.021 1
1073 . 102 LYS H H 8.342 0.012 1
1074 . 102 LYS N N 119.568 0.421 1
1075 . 103 PRO C C 176.25 0 1
1076 . 103 PRO CA C 63.232 0.052 1
1077 . 103 PRO CB C 32.757 0.242 1
1078 . 103 PRO CD C 51.969 0 1
1079 . 103 PRO CG C 28.93 0 1
1080 . 103 PRO HA H 4.322 0.009 1
1081 . 103 PRO HB2 H 2.453 0.019 1
1082 . 103 PRO HB3 H 2.453 0.019 1
1083 . 103 PRO HD2 H 3.848 0 1
1084 . 103 PRO HD3 H 3.848 0 1
1085 . 103 PRO HG2 H 1.889 0.026 1
1086 . 103 PRO HG3 H 1.889 0.026 1
1087 . 104 LEU C C 177.354 0 1
1088 . 104 LEU CA C 59.535 0.211 1
1089 . 104 LEU CB C 43.096 0.082 1
1090 . 104 LEU CD1 C 26.527 0.076 1
1091 . 104 LEU CD2 C 24.659 0.018 1
1092 . 104 LEU CG C 27.978 0.031 1
1093 . 104 LEU HA H 3.842 0.01 1
1094 . 104 LEU HB2 H 1.76 0.021 1
1095 . 104 LEU HB3 H 1.76 0.021 1
1096 . 104 LEU HD1 H 1.218 0.008 1
1097 . 104 LEU HD2 H 1.138 0.011 1
1098 . 104 LEU HG H 1.767 0.013 1
1099 . 104 LEU H H 8.48 0.014 1
1100 . 104 LEU N N 127.314 0.298 1
1101 . 105 MET C C 175.296 0 1
1102 . 105 MET CA C 57.645 0.084 1
1103 . 105 MET CB C 32.218 0.13 1
1104 . 105 MET CE C 18.82 0.066 1
1105 . 105 MET CG C 34.568 0.057 1
1106 . 105 MET HA H 4.757 0.021 1
1107 . 105 MET HB2 H 2.369 0.03 1
1108 . 105 MET HB3 H 2.369 0.03 1
1109 . 105 MET HE H 1.907 0.007 1
1110 . 105 MET HG2 H 3.234 0.006 2
1111 . 105 MET HG3 H 2.641 0.006 2
1112 . 105 MET H H 9.079 0.01 1
1113 . 105 MET N N 114.078 0.321 1
1114 . 106 ALA C C 178.392 0 1
1115 . 106 ALA CA C 54.279 0.053 1
1116 . 106 ALA CB C 19.336 0.166 1
1117 . 106 ALA HA H 2.709 0.014 1
1118 . 106 ALA HB H 1.187 0.02 1
1119 . 106 ALA H H 6.75 0.011 1
1120 . 106 ALA N N 117.763 0.312 1
1121 . 107 HIS C C 177.488 0 1
1122 . 107 HIS CA C 60.097 0.112 1
1123 . 107 HIS CB C 28.682 0.306 1
1124 . 107 HIS CD2 C 113.392 0 1
1125 . 107 HIS CE1 C 134.920 0 1
1126 . 107 HIS HA H 3.9 0.02 1
1127 . 107 HIS HB2 H 2.85 0.014 2
1128 . 107 HIS HB3 H 2.484 0.018 2
1129 . 107 HIS HD2 H 6.687 0.017 1
1130 . 107 HIS HE1 H 6.987 0.031 1
1131 . 107 HIS H H 7.796 0.012 1
1132 . 107 HIS N N 122.005 0.341 1
1133 . 108 TRP C C 175.414 0 1
1134 . 108 TRP CA C 58.573 0.041 1
1135 . 108 TRP CB C 29.14 0.118 1
1136 . 108 TRP CD1 C 117.57 0 1
1137 . 108 TRP CH2 C 124.840 0 1
1138 . 108 TRP HA H 4.748 0.021 1
1139 . 108 TRP HB2 H 3.371 0.012 2
1140 . 108 TRP HB3 H 3.006 0.017 2
1141 . 108 TRP HD1 H 7.05 0.052 1
1142 . 108 TRP HE1 H 10.61 0.011 1
1143 . 108 TRP HE3 H 7.39 0.007 1
1144 . 108 TRP HH2 H 7.469 0.015 1
1145 . 108 TRP H H 8.58 0.009 1
1146 . 108 TRP HZ2 H 7.145 0.028 1
1147 . 108 TRP N N 122.846 0.415 1
1148 . 108 TRP NE1 N 128.412 0.026 1
1149 . 109 ALA C C 178.157 0 1
1150 . 109 ALA CA C 55.866 0.233 1
1151 . 109 ALA CB C 18.721 0.066 1
1152 . 109 ALA HA H 3.919 0.01 1
1153 . 109 ALA HB H 1.227 0.01 1
1154 . 109 ALA H H 8.949 0.01 1
1155 . 109 ALA N N 119.94 0.342 1
1156 . 110 HIS C C 172.67 0 1
1157 . 110 HIS CA C 57.548 0.006 1
1158 . 110 HIS CB C 31.8 0.003 1
1159 . 110 HIS HA H 4.308 0.013 1
1160 . 110 HIS HB2 H 3.332 0.025 1
1161 . 110 HIS HB3 H 3.332 0.025 1
1162 . 110 HIS HD2 H 7.393 0.008 1
1163 . 110 HIS HE1 H 6.819 0.006 1
1164 . 110 HIS H H 8.564 0.01 1
1165 . 110 HIS N N 114.741 0.324 1
1166 . 111 MET C C 171.867 0 1
1167 . 111 MET CA C 58.001 0.079 1
1168 . 111 MET CB C 34.675 0.096 1
1169 . 111 MET CE C 20.104 0.053 1
1170 . 111 MET CG C 32.467 0 1
1171 . 111 MET HA H 3.94 0.012 1
1172 . 111 MET HB2 H 2.158 0.026 1
1173 . 111 MET HB3 H 2.158 0.026 1
1174 . 111 MET HE H 0.992 0.006 1
1175 . 111 MET H H 7.857 0.017 1
1176 . 111 MET N N 117.429 0.377 1
1177 . 112 VAL C C 177.041 0 1
1178 . 112 VAL CA C 67.308 0.052 1
1179 . 112 VAL CB C 32.072 0.179 1
1180 . 112 VAL CG1 C 24.59 0.116 1
1181 . 112 VAL CG2 C 22.092 0 1
1182 . 112 VAL HA H 3.461 0.015 1
1183 . 112 VAL HB H 2.392 0.012 1
1184 . 112 VAL HG1 H 1.267 0.012 1
1185 . 112 VAL HG2 H 0.96 0.014 1
1186 . 112 VAL H H 7.857 0.009 1
1187 . 112 VAL N N 119.279 0.42 1
1188 . 113 VAL C C 174.109 0 1
1189 . 113 VAL CA C 68.054 0.139 1
1190 . 113 VAL CB C 33.144 0.248 1
1191 . 113 VAL CG1 C 24.609 0.087 1
1192 . 113 VAL CG2 C 22.359 0 1
1193 . 113 VAL HA H 3.346 0.024 1
1194 . 113 VAL HB H 2.174 0.013 1
1195 . 113 VAL HG1 H 0.926 0.006 1
1196 . 113 VAL HG2 H 0.905 0.019 1
1197 . 113 VAL H H 8.971 0.01 1
1198 . 113 VAL N N 125.121 0.334 1
1199 . 114 HIS C C 175.356 0 1
1200 . 114 HIS CA C 60.128 0.021 1
1201 . 114 HIS CB C 30.003 0.143 1
1202 . 114 HIS CD2 C 115.108 0 1
1203 . 114 HIS HA H 4.043 0.011 1
1204 . 114 HIS HB2 H 2.851 0.013 1
1205 . 114 HIS HB3 H 2.851 0.013 1
1206 . 114 HIS HD2 H 7.3 0.02 1
1207 . 114 HIS HE1 H 6.719 0.015 1
1208 . 114 HIS H H 9.345 0.015 1
1209 . 114 HIS N N 118.427 0.288 1
1210 . 115 GLY CA C 48.198 0.123 1
1211 . 115 GLY HA2 H 3.599 0.018 2
1212 . 115 GLY HA3 H 3.494 0.007 2
1213 . 115 GLY H H 8.523 0.016 1
1214 . 115 GLY N N 103.258 0.338 1
1215 . 116 SER C C 173.54 0 1
1216 . 116 SER CA C 56.595 0 1
1217 . 116 SER CB C 64.904 0.097 1
1218 . 116 SER HA H 4.588 0.034 1
1219 . 116 SER HB2 H 3.877 0.013 1
1220 . 116 SER HB3 H 3.877 0.013 1
1221 . 116 SER H H 8.33 0.01 1
1222 . 116 SER N N 119.91 0.324 1
1223 . 117 LEU C C 178.258 0 1
1224 . 117 LEU CA C 58.547 0.174 1
1225 . 117 LEU CB C 41.245 0.068 1
1226 . 117 LEU CD1 C 22.725 0.033 1
1227 . 117 LEU CD2 C 27.895 0.128 1
1228 . 117 LEU CG C 27.328 0.033 1
1229 . 117 LEU HA H 4.021 0.029 1
1230 . 117 LEU HB2 H 1.823 0.012 2
1231 . 117 LEU HB3 H 1.121 0.014 2
1232 . 117 LEU HD1 H 0.598 0.023 1
1233 . 117 LEU HD2 H 0.678 0.011 1
1234 . 117 LEU HG H 1.832 0.005 1
1235 . 117 LEU H H 7.955 0.011 1
1236 . 117 LEU N N 119.38 0.332 1
1237 . 118 HIS C C 175.698 0 1
1238 . 118 HIS CA C 59.544 0.226 1
1239 . 118 HIS CB C 29.737 0.244 1
1240 . 118 HIS CD2 C 117.829 0 1
1241 . 118 HIS HA H 4.526 0.024 1
1242 . 118 HIS HB2 H 3.206 0.02 2
1243 . 118 HIS HB3 H 3.05 0.013 2
1244 . 118 HIS HD2 H 6.6 0.011 1
1245 . 118 HIS HE1 H 7.167 0.012 1
1246 . 118 HIS H H 7.542 0.019 1
1247 . 118 HIS N N 118.669 0.41 1
1248 . 119 LEU C C 176.117 0 1
1249 . 119 LEU CA C 58.231 0.288 1
1250 . 119 LEU CB C 41.575 0.107 1
1251 . 119 LEU CD1 C 24.14 0.204 1
1252 . 119 LEU CD2 C 22.91 0.275 1
1253 . 119 LEU HA H 3.964 0.014 1
1254 . 119 LEU HB2 H 1.385 0.006 1
1255 . 119 LEU HB3 H 1.385 0.006 1
1256 . 119 LEU HD1 H 0.759 0.02 1
1257 . 119 LEU HD2 H 0.642 0.011 1
1258 . 119 LEU H H 8.297 0.02 1
1259 . 119 LEU N N 120.152 0.424 1
1260 . 120 LEU C C 174.343 0 1
1261 . 120 LEU CA C 55.579 0.172 1
1262 . 120 LEU CB C 43.254 0.126 1
1263 . 120 LEU CD1 C 24.649 0.008 1
1264 . 120 LEU CD2 C 26.844 0.131 1
1265 . 120 LEU HA H 4.256 0.02 1
1266 . 120 LEU HB2 H 1.859 0.014 1
1267 . 120 LEU HB3 H 1.859 0.014 1
1268 . 120 LEU HD1 H 0.804 0.021 1
1269 . 120 LEU HD2 H 0.917 0.011 1
1270 . 120 LEU H H 7.478 0.013 1
1271 . 120 LEU N N 117.356 0.319 1
1272 . 121 GLY C C 178.224 0 1
1273 . 121 GLY CA C 45.95 0.13 1
1274 . 121 GLY HA2 H 4.091 0.008 2
1275 . 121 GLY HA3 H 3.698 0.018 2
1276 . 121 GLY H H 7.666 0.005 1
1277 . 121 GLY N N 105.791 0.16 1
1278 . 122 TYR C C 173.473 0 1
1279 . 122 TYR CA C 59.481 0.063 1
1280 . 122 TYR CB C 38.454 0.211 1
1281 . 122 TYR CD1 C 129.668 0 1
1282 . 122 TYR CE1 C 115.816 0 1
1283 . 122 TYR HA H 4.285 0.015 1
1284 . 122 TYR HB2 H 2.962 0.009 2
1285 . 122 TYR HB3 H 2.494 0.011 2
1286 . 122 TYR HD1 H 7.133 0.016 1
1287 . 122 TYR HD2 H 7.133 0.016 1
1288 . 122 TYR HE1 H 6.668 0.011 1
1289 . 122 TYR HE2 H 6.668 0.011 1
1290 . 122 TYR H H 7.742 0.023 1
1291 . 122 TYR N N 119.841 0.375 1
1292 . 123 ASP C C 174.176 0 1
1293 . 123 ASP CA C 54.664 0.102 1
1294 . 123 ASP CB C 42.404 0.156 1
1295 . 123 ASP HA H 4.357 0.019 1
1296 . 123 ASP HB2 H 2.456 0.015 1
1297 . 123 ASP HB3 H 2.456 0.015 1
1298 . 123 ASP H H 8.534 0.02 1
1299 . 123 ASP N N 119.57 0.36 1
1300 . 124 HIS C C 172.269 0 1
1301 . 124 HIS CA C 55.569 0.084 1
1302 . 124 HIS CB C 29.87 0.041 1
1303 . 124 HIS CD2 C 114.123 0 1
1304 . 124 HIS HA H 4.646 0.019 1
1305 . 124 HIS HB2 H 3.134 0.017 1
1306 . 124 HIS HB3 H 3.134 0.017 1
1307 . 124 HIS HD2 H 7.086 0.028 1
1308 . 124 HIS HE1 H 6.71 0.026 1
1309 . 124 HIS H H 8.342 0.038 1
1310 . 124 HIS N N 116.969 0.463 1
1311 . 125 ILE C C 174.578 0 1
1312 . 125 ILE CA C 62.33 0.105 1
1313 . 125 ILE CB C 38.928 0.228 1
1314 . 125 ILE CD1 C 13.422 0.116 1
1315 . 125 ILE CG1 C 27.856 0.165 1
1316 . 125 ILE CG2 C 18.218 0.115 1
1317 . 125 ILE HA H 4.023 0.01 1
1318 . 125 ILE HB H 1.804 0.011 1
1319 . 125 ILE HD1 H 0.735 0.016 1
1320 . 125 ILE HG12 H 1.33 0.023 2
1321 . 125 ILE HG13 H 1.048 0.024 2
1322 . 125 ILE HG2 H 0.804 0.01 1
1323 . 125 ILE H H 7.887 0.019 1
1324 . 125 ILE N N 121.941 0.348 1
1325 . 126 GLU C C 174.611 0 1
1326 . 126 GLU CA C 56.936 0.027 1
1327 . 126 GLU CB C 30.575 0.178 1
1328 . 126 GLU CG C 36.942 0 1
1329 . 126 GLU HA H 4.033 0.03 1
1330 . 126 GLU HB2 H 1.828 0.003 1
1331 . 126 GLU HB3 H 1.828 0.003 1
1332 . 126 GLU HG2 H 2.207 0.009 1
1333 . 126 GLU HG3 H 2.207 0.009 1
1334 . 126 GLU H H 8.544 0.013 1
1335 . 126 GLU N N 122.973 0.326 1
1336 . 127 ASP C C 172.67 0 1
1337 . 127 ASP CA C 56.359 0.254 1
1338 . 127 ASP CB C 41.609 0.048 1
1339 . 127 ASP HA H 3.8 0.051 1
1340 . 127 ASP HB2 H 2.036 0 1
1341 . 127 ASP HB3 H 2.036 0 1
1342 . 127 ASP H H 8.317 0.035 1
1343 . 127 ASP N N 120.508 0.399 1
1344 . 128 ASP C C 175.307 0 1
1345 . 128 ASP CA C 56.141 0.178 1
1346 . 128 ASP CB C 40.694 0.343 1
1347 . 128 ASP HA H 4.423 0.029 1
1348 . 128 ASP HB2 H 2.612 0.008 1
1349 . 128 ASP HB3 H 2.612 0.008 1
1350 . 128 ASP H H 8.373 0.017 1
1351 . 128 ASP N N 119.588 0.395 1
1352 . 129 GLU C C 172.068 0 1
1353 . 129 GLU CA C 57.521 0.157 1
1354 . 129 GLU CB C 30.217 0.123 1
1355 . 129 GLU CG C 36.866 0 1
1356 . 129 GLU HA H 4.251 0.025 1
1357 . 129 GLU HB2 H 1.951 0.028 1
1358 . 129 GLU HB3 H 1.951 0.028 1
1359 . 129 GLU HG2 H 2.182 0.021 1
1360 . 129 GLU HG3 H 2.182 0.021 1
1361 . 129 GLU H H 8.055 0.026 1
1362 . 129 GLU N N 120.628 0.325 1
1363 . 130 ALA C C 174.257 0 1
1364 . 130 ALA CA C 54.189 0.194 1
1365 . 130 ALA CB C 19.467 0.124 1
1366 . 130 ALA HA H 4.097 0.007 1
1367 . 130 ALA HB H 1.29 0.009 1
1368 . 130 ALA H H 8.059 0.022 1
1369 . 130 ALA N N 123.82 0.41 1
1370 . 131 GLU C C 176.15 0 1
1371 . 131 GLU CA C 58.894 0.135 1
1372 . 131 GLU CB C 30.101 0.083 1
1373 . 131 GLU CG C 36.942 0 1
1374 . 131 GLU HA H 3.953 0.027 1
1375 . 131 GLU HB2 H 1.959 0.014 1
1376 . 131 GLU HB3 H 1.959 0.014 1
1377 . 131 GLU HG2 H 2.186 0.017 1
1378 . 131 GLU HG3 H 2.186 0.017 1
1379 . 131 GLU H H 8.145 0.023 1
1380 . 131 GLU N N 119.265 0.469 1
1381 . 132 GLU CA C 59.385 0.098 1
1382 . 132 GLU CB C 30.248 0 1
1383 . 132 GLU HA H 4.051 0.024 1
1384 . 132 GLU HB2 H 1.784 0.013 1
1385 . 132 GLU HB3 H 1.784 0.013 1
1386 . 132 GLU H H 8.215 0.035 1
1387 . 132 GLU N N 120.847 0.355 1
1388 . 133 MET C C 177.439 0 1
1389 . 133 MET CA C 59.807 0.123 1
1390 . 133 MET CB C 29.825 0 1
1391 . 133 MET CE C 18.719 0.041 1
1392 . 133 MET CG C 37.959 0 1
1393 . 133 MET HA H 3.806 0.023 1
1394 . 133 MET HB2 H 1.886 0.036 1
1395 . 133 MET HB3 H 1.886 0.036 1
1396 . 133 MET HE H 1.529 0.015 1
1397 . 133 MET HG2 H 2.155 0.015 1
1398 . 133 MET HG3 H 2.155 0.015 1
1399 . 133 MET H H 8.54 0.027 1
1400 . 134 GLU C C 176.618 0 1
1401 . 134 GLU CA C 60.496 0.18 1
1402 . 134 GLU CB C 29.469 0.215 1
1403 . 134 GLU CG C 36.913 0 1
1404 . 134 GLU HA H 3.837 0.018 1
1405 . 134 GLU HB2 H 1.717 0.026 1
1406 . 134 GLU HB3 H 1.717 0.026 1
1407 . 134 GLU HG2 H 2.095 0.027 1
1408 . 134 GLU HG3 H 2.095 0.027 1
1409 . 134 GLU H H 7.967 0.02 1
1410 . 134 GLU N N 120.926 0.347 1
1411 . 135 SER C C 175.231 0 1
1412 . 135 SER CA C 62.012 0.027 1
1413 . 135 SER CB C 63.485 0.125 1
1414 . 135 SER HA H 4.13 0.019 1
1415 . 135 SER HB2 H 3.905 0.025 1
1416 . 135 SER HB3 H 3.905 0.025 1
1417 . 135 SER H H 7.843 0.028 1
1418 . 135 SER N N 113.584 0.314 1
1419 . 136 LEU C C 176.766 0 1
1420 . 136 LEU CA C 58.114 0.207 1
1421 . 136 LEU CB C 42.408 0.086 1
1422 . 136 LEU CD1 C 25.336 0.05 1
1423 . 136 LEU CD2 C 24.627 0.05 1
1424 . 136 LEU CG C 27.368 0.063 1
1425 . 136 LEU HA H 4.089 0.009 1
1426 . 136 LEU HB2 H 1.565 0.022 1
1427 . 136 LEU HB3 H 1.565 0.022 1
1428 . 136 LEU HD1 H 0.636 0.008 1
1429 . 136 LEU HD2 H 0.687 0.016 1
1430 . 136 LEU HG H 1.503 0.004 1
1431 . 136 LEU H H 7.692 0.013 1
1432 . 136 LEU N N 123.96 0.408 1
1433 . 137 GLU C C 176.988 0 1
1434 . 137 GLU CA C 61.426 0.042 1
1435 . 137 GLU CB C 30.507 0.046 1
1436 . 137 GLU CG C 38.52 0.083 1
1437 . 137 GLU HA H 3.604 0.031 1
1438 . 137 GLU HB2 H 1.858 0.018 1
1439 . 137 GLU HB3 H 1.858 0.018 1
1440 . 137 GLU HG2 H 2.736 0.019 1
1441 . 137 GLU HG3 H 2.736 0.019 1
1442 . 137 GLU H H 8.454 0.018 1
1443 . 137 GLU N N 118.422 0.323 1
1444 . 138 THR C C 173.407 0 1
1445 . 138 THR CA C 61.811 0.179 1
1446 . 138 THR CB C 69.28 0.054 1
1447 . 138 THR CG2 C 22.102 0.064 1
1448 . 138 THR HA H 4.184 0.019 1
1449 . 138 THR HB H 4.169 0.029 1
1450 . 138 THR HG2 H 1.083 0.012 1
1451 . 138 THR H H 8.613 0.024 1
1452 . 138 THR N N 116.914 0.366 1
1453 . 139 GLN C C 177.684 0 1
1454 . 139 GLN CA C 59.996 0.077 1
1455 . 139 GLN CB C 29.178 0.255 1
1456 . 139 GLN CG C 34.485 0.019 1
1457 . 139 GLN HA H 4.022 0.014 1
1458 . 139 GLN HB2 H 2.186 0.009 1
1459 . 139 GLN HB3 H 2.186 0.009 1
1460 . 139 GLN HE21 H 7.208 0.005 2
1461 . 139 GLN HE22 H 6.522 0.016 2
1462 . 139 GLN HG2 H 2.44 0.036 1
1463 . 139 GLN HG3 H 2.44 0.036 1
1464 . 139 GLN H H 7.692 0.011 1
1465 . 139 GLN N N 120.369 0.394 1
1466 . 139 GLN NE2 N 109.602 0.215 1
1467 . 140 ILE C C 177.274 0 1
1468 . 140 ILE CA C 65.339 0.085 1
1469 . 140 ILE CB C 39.09 0.061 1
1470 . 140 ILE CD1 C 16.036 0.26 1
1471 . 140 ILE CG1 C 29.261 0.064 1
1472 . 140 ILE CG2 C 18.749 0.08 1
1473 . 140 ILE HA H 3.619 0.017 1
1474 . 140 ILE HB H 1.657 0.034 1
1475 . 140 ILE HD1 H 0.794 0.026 1
1476 . 140 ILE HG12 H 1.765 0.007 1
1477 . 140 ILE HG13 H 1.027 0.007 1
1478 . 140 ILE HG2 H 0.714 0 1
1479 . 140 ILE H H 8.724 0.025 1
1480 . 140 ILE N N 121.999 0.334 1
1481 . 141 MET C C 173.54 0 1
1482 . 141 MET CA C 57.378 0.483 1
1483 . 141 MET CB C 30.623 0.131 1
1484 . 141 MET CE C 18.014 0.026 1
1485 . 141 MET CG C 37.044 0 1
1486 . 141 MET HA H 4.294 0.058 1
1487 . 141 MET HB2 H 1.917 0.19 1
1488 . 141 MET HB3 H 1.917 0.19 1
1489 . 141 MET HE H 1.559 0.017 1
1490 . 141 MET HG2 H 2.217 0.024 1
1491 . 141 MET HG3 H 2.217 0.024 1
1492 . 141 MET H H 8.637 0.015 1
1493 . 141 MET N N 118.267 0.402 1
1494 . 142 GLN C C 179.496 0 1
1495 . 142 GLN CA C 59.389 0.146 1
1496 . 142 GLN CB C 29.54 0.566 1
1497 . 142 GLN HA H 4.474 0.163 1
1498 . 142 GLN HB2 H 2.168 0.02 2
1499 . 142 GLN HB3 H 1.991 0.023 2
1500 . 142 GLN HE21 H 7.259 0.021 2
1501 . 142 GLN HE22 H 6.735 0.017 2
1502 . 142 GLN HG2 H 2.525 0.011 2
1503 . 142 GLN HG3 H 2.257 0.019 2
1504 . 142 GLN H H 8.294 0.025 1
1505 . 142 GLN N N 120.387 0.377 1
1506 . 142 GLN NE2 N 111.231 0.215 1
1507 . 143 GLY C C 173.841 0 1
1508 . 143 GLY CA C 47.568 0.082 1
1509 . 143 GLY HA2 H 3.949 0.034 1
1510 . 143 GLY HA3 H 3.949 0.034 1
1511 . 143 GLY H H 8.121 0.009 1
1512 . 143 GLY N N 110.11 0.354 1
1513 . 144 LEU C C 175.213 0 1
1514 . 144 LEU CA C 55.581 0.113 1
1515 . 144 LEU CB C 44.214 0.277 1
1516 . 144 LEU CD1 C 24.013 0.049 1
1517 . 144 LEU CD2 C 27.286 0.052 1
1518 . 144 LEU CG C 27.515 0 1
1519 . 144 LEU HA H 4.283 0.011 1
1520 . 144 LEU HB2 H 1.798 0.018 1
1521 . 144 LEU HB3 H 1.798 0.018 1
1522 . 144 LEU HD1 H 0.917 0.016 1
1523 . 144 LEU HD2 H 1.073 0.025 1
1524 . 144 LEU H H 7.576 0.026 1
1525 . 144 LEU N N 119.351 0.359 1
1526 . 145 GLY C C 176.92 0 1
1527 . 145 GLY CA C 45.578 0.156 1
1528 . 145 GLY HA2 H 3.915 0.023 2
1529 . 145 GLY HA3 H 3.561 0.006 2
1530 . 145 GLY H H 7.671 0.006 1
1531 . 145 GLY N N 106.214 0.317 1
1532 . 146 PHE C C 172.67 0 1
1533 . 146 PHE CA C 57.324 0.026 1
1534 . 146 PHE CB C 42.124 0.166 1
1535 . 146 PHE CD1 C 130.889 0 1
1536 . 146 PHE CE1 C 130.98 0 1
1537 . 146 PHE CZ C 122.712 0 1
1538 . 146 PHE HA H 4.71 0.03 1
1539 . 146 PHE HB2 H 3.184 0.008 2
1540 . 146 PHE HB3 H 2.432 0.019 2
1541 . 146 PHE HD1 H 7.158 0.018 1
1542 . 146 PHE HD2 H 7.158 0.018 1
1543 . 146 PHE HE1 H 6.937 0.027 1
1544 . 146 PHE HE2 H 6.937 0.027 1
1545 . 146 PHE H H 7.857 0.017 1
1546 . 146 PHE HZ H 7.06 0.014 1
1547 . 146 PHE N N 119.32 0.362 1
1548 . 147 ASP C C 174.879 0 1
1549 . 147 ASP CA C 54.448 0.054 1
1550 . 147 ASP CB C 42.224 0.065 1
1551 . 147 ASP HA H 4.545 0.029 1
1552 . 147 ASP HB2 H 2.539 0.013 2
1553 . 147 ASP HB3 H 2.355 0.026 2
1554 . 147 ASP H H 8.239 0.012 1
1555 . 147 ASP N N 118.655 0.384 1
1556 . 148 ASP CA C 52.298 0.072 1
1557 . 148 ASP CB C 43.019 0.132 1
1558 . 148 ASP HA H 4.298 0.011 1
1559 . 148 ASP HB2 H 2.713 0.014 2
1560 . 148 ASP HB3 H 2.543 0.01 2
1561 . 148 ASP H H 8.406 0.021 1
1562 . 148 ASP N N 119.848 0.174 1
1563 . 149 PRO C C 174.544 0 1
1564 . 149 PRO CA C 63.873 0.1 1
1565 . 149 PRO CB C 32.377 0.069 1
1566 . 149 PRO CD C 50.368 0.065 1
1567 . 149 PRO CG C 27.01 0 1
1568 . 149 PRO HA H 4.046 0.009 1
1569 . 149 PRO HB2 H 1.566 0.021 2
1570 . 149 PRO HB3 H 0.836 0.024 2
1571 . 149 PRO HD2 H 3.689 0.002 2
1572 . 149 PRO HD3 H 3.421 0.027 2
1573 . 149 PRO HG2 H 1.88 0.018 1
1574 . 149 PRO HG3 H 1.88 0.018 1
1575 . 150 TYR C C 173.4 0 1
1576 . 150 TYR CA C 58.53 0.146 1
1577 . 150 TYR CB C 38.308 0.218 1
1578 . 150 TYR CD1 C 130.947 0 1
1579 . 150 TYR CE1 C 115.624 0 1
1580 . 150 TYR HA H 4.411 0.009 1
1581 . 150 TYR HB2 H 3.157 0.01 2
1582 . 150 TYR HB3 H 2.578 0.016 2
1583 . 150 TYR HD1 H 7.003 0.006 1
1584 . 150 TYR HD2 H 7.003 0.006 1
1585 . 150 TYR HE1 H 6.785 0.013 1
1586 . 150 TYR HE2 H 6.785 0.013 1
1587 . 150 TYR H H 8.149 0.015 1
1588 . 150 TYR N N 118.73 0.368 1
1589 . 151 LEU C C 174.912 0 1
1590 . 151 LEU CA C 56.818 0.157 1
1591 . 151 LEU CB C 43.028 0.101 1
1592 . 151 LEU CD1 C 25.378 0.07 1
1593 . 151 LEU CD2 C 25.284 0.061 1
1594 . 151 LEU CG C 30.749 0 1
1595 . 151 LEU HA H 3.98 0.008 1
1596 . 151 LEU HB2 H 1.543 0.01 1
1597 . 151 LEU HB3 H 1.543 0.01 1
1598 . 151 LEU HD1 H 0.822 0.008 1
1599 . 151 LEU HD2 H 0.858 0.015 1
1600 . 151 LEU HG H 1.272 0.016 1
1601 . 151 LEU H H 6.917 0.031 1
1602 . 151 LEU N N 122.009 0.306 1
1603 . 152 ALA C C 175.481 0 1
1604 . 152 ALA CA C 53.182 0.148 1
1605 . 152 ALA CB C 19.954 0.082 1
1606 . 152 ALA HA H 4.224 0.007 1
1607 . 152 ALA HB H 1.296 0.01 1
1608 . 152 ALA H H 8.25 0.02 1
1609 . 152 ALA N N 124.359 0.362 1
1610 . 153 GLU C C 173.407 0 1
1611 . 153 GLU CA C 56.6 0.416 1
1612 . 153 GLU CB C 30.877 0.096 1
1613 . 153 GLU CG C 37.08 0 1
1614 . 153 GLU HA H 4.206 0.02 1
1615 . 153 GLU HB2 H 2.029 0 2
1616 . 153 GLU HB3 H 1.848 0.018 2
1617 . 153 GLU HG2 H 2.146 0 1
1618 . 153 GLU HG3 H 2.146 0 1
1619 . 153 GLU H H 7.988 0.065 1
1620 . 153 GLU N N 119.385 0.359 1
1621 . 154 LYS CA C 57.974 0 1
1622 . 154 LYS CB C 34.361 0.078 1
1623 . 154 LYS CE C 42.612 0 1
1624 . 154 LYS CG C 25.373 0.111 1
1625 . 154 LYS HA H 4.078 0.008 1
1626 . 154 LYS HB2 H 1.656 0.032 1
1627 . 154 LYS HB3 H 1.656 0.032 1
1628 . 154 LYS HD2 H 1.764 0.015 1
1629 . 154 LYS HD3 H 1.764 0.015 1
1630 . 154 LYS HE2 H 2.877 0.004 1
1631 . 154 LYS HE3 H 2.877 0.004 1
1632 . 154 LYS HG2 H 1.306 0.007 1
1633 . 154 LYS HG3 H 1.306 0.007 1
1634 . 154 LYS H H 7.704 0.01 1
1635 . 154 LYS N N 127.104 0.409 1
stop_
save_