data_6341
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of At3g04780.1, an Arabidopsis ortholog of the C-terminal
domain of human thioredoxin-like protein
;
_BMRB_accession_number 6341
_BMRB_flat_file_name bmr6341.str
_Entry_type original
_Submission_date 2004-10-06
_Accession_date 2004-10-06
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Song Jikui . .
2 Tyler Robert C. .
3 Lee Min S. .
4 Markley John L. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 837
"13C chemical shifts" 627
"15N chemical shifts" 171
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2004-11-01 original author .
stop_
_Original_release_date 2004-11-01
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of At3g04780.1, an Arabidopsis ortholog of the C-terminal
domain of human thioredoxin-like protein
;
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Song Jikui . .
2 Tyler Robert C. .
3 Lee Min S. .
4 Markley John L. .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_molecular_system
_Saveframe_category molecular_system
_Mol_system_name At3g04780.1
_Abbreviation_common At3g04780.1
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
At3g04780.1 $At3g04780.1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_At3g04780.1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common At3g04780.1
_Abbreviation_common At3g04780.1
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 161
_Mol_residue_sequence
;
SSAESASQIPKGQVDLLDFI
DWSGVECLNQSSSHSLPNAL
KQGYREDEGLNLESDADEQL
LIYIPFNQVIKLHSFAIKGP
EEEGPKTVKFFSNKEHMCFS
NVNDFPPSDTAELTEENLKG
KPVVLKYVKFQNVRSLTIFI
EANQSGSEVTKVQKIALYGS
T
;
loop_
_Residue_seq_code
_Residue_label
1 SER 2 SER 3 ALA 4 GLU 5 SER
6 ALA 7 SER 8 GLN 9 ILE 10 PRO
11 LYS 12 GLY 13 GLN 14 VAL 15 ASP
16 LEU 17 LEU 18 ASP 19 PHE 20 ILE
21 ASP 22 TRP 23 SER 24 GLY 25 VAL
26 GLU 27 CYS 28 LEU 29 ASN 30 GLN
31 SER 32 SER 33 SER 34 HIS 35 SER
36 LEU 37 PRO 38 ASN 39 ALA 40 LEU
41 LYS 42 GLN 43 GLY 44 TYR 45 ARG
46 GLU 47 ASP 48 GLU 49 GLY 50 LEU
51 ASN 52 LEU 53 GLU 54 SER 55 ASP
56 ALA 57 ASP 58 GLU 59 GLN 60 LEU
61 LEU 62 ILE 63 TYR 64 ILE 65 PRO
66 PHE 67 ASN 68 GLN 69 VAL 70 ILE
71 LYS 72 LEU 73 HIS 74 SER 75 PHE
76 ALA 77 ILE 78 LYS 79 GLY 80 PRO
81 GLU 82 GLU 83 GLU 84 GLY 85 PRO
86 LYS 87 THR 88 VAL 89 LYS 90 PHE
91 PHE 92 SER 93 ASN 94 LYS 95 GLU
96 HIS 97 MET 98 CYS 99 PHE 100 SER
101 ASN 102 VAL 103 ASN 104 ASP 105 PHE
106 PRO 107 PRO 108 SER 109 ASP 110 THR
111 ALA 112 GLU 113 LEU 114 THR 115 GLU
116 GLU 117 ASN 118 LEU 119 LYS 120 GLY
121 LYS 122 PRO 123 VAL 124 VAL 125 LEU
126 LYS 127 TYR 128 VAL 129 LYS 130 PHE
131 GLN 132 ASN 133 VAL 134 ARG 135 SER
136 LEU 137 THR 138 ILE 139 PHE 140 ILE
141 GLU 142 ALA 143 ASN 144 GLN 145 SER
146 GLY 147 SER 148 GLU 149 VAL 150 THR
151 LYS 152 VAL 153 GLN 154 LYS 155 ILE
156 ALA 157 LEU 158 TYR 159 GLY 160 SER
161 THR
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 1XOY "Solution Structure Of At3g04780.1, An Arabidopsis Ortholog Of The C-Terminal Domain Of Human Thioredoxin-Like Protein" 100.00 161 100.00 100.00 5.87e-113
GB AAF04904 "unknown protein [Arabidopsis thaliana]" 99.38 161 100.00 100.00 1.79e-112
GB AAG51403 "unknown protein, 3' partial; 91932-93234 [Arabidopsis thaliana]" 83.23 135 100.00 100.00 7.84e-93
GB AAL25533 "AT3g04780/F7O18_27 [Arabidopsis thaliana]" 99.38 176 100.00 100.00 1.69e-112
GB AAM10337 "AT3g04780/F7O18_27 [Arabidopsis thaliana]" 99.38 176 100.00 100.00 1.69e-112
GB AAM65766 "unknown [Arabidopsis thaliana]" 99.38 176 100.00 100.00 1.69e-112
REF NP_566238 "uncharacterized protein [Arabidopsis thaliana]" 99.38 176 100.00 100.00 1.69e-112
REF XP_002884470 "hypothetical protein ARALYDRAFT_477747 [Arabidopsis lyrata subsp. lyrata]" 99.38 176 98.75 99.38 6.24e-111
REF XP_006298669 "hypothetical protein CARUB_v10014759mg [Capsella rubella]" 99.38 176 99.38 99.38 1.83e-111
REF XP_006408149 "hypothetical protein EUTSA_v10021632mg [Eutrema salsugineum]" 99.38 176 97.50 98.75 1.15e-109
REF XP_010418822 "PREDICTED: PITH domain-containing protein At3g04780 [Camelina sativa]" 99.38 176 99.38 99.38 1.83e-111
SP Q9SQZ9 "RecName: Full=PITH domain-containing protein At3g04780 [Arabidopsis thaliana]" 99.38 176 100.00 100.00 1.69e-112
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$At3g04780.1 'Thale cress' 3702 Eukaryota Plantae Arabidopsis thaliana
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
$At3g04780.1 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$At3g04780.1 1 mM '[U-15N; U-13C]'
DTT 10 mM .
KH2PO4 50 mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_HNCACB_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_CBCACONH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONH
_Sample_label .
save_
save_3D_C13-NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C13-NOESY'
_Sample_label .
save_
save_3D_N15-NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D N15-NOESY'
_Sample_label .
save_
save_HCCH-TOCSY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_HCCONH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCONH
_Sample_label .
save_
save_HNCO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
save_CCONH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CCONH
_Sample_label .
save_
save_1H_15N-HSQC_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H 15N-HSQC'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C13-NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D N15-NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCONH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CCONH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H 15N-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_conditions
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.2 0.1 pH
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 H 1 'methyl protons' ppm 0 external direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.00 . indirect . . . .
DSS C 13 'methyl protons' ppm 0.00 . indirect . . . .
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample
stop_
_Sample_conditions_label $sample_conditions
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name At3g04780.1
_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 SER C C 174.581 0.10 1
2 . 2 SER CA C 58.499 0.10 1
3 . 2 SER CB C 63.922 0.10 1
4 . 2 SER HA H 4.521 0.05 2
5 . 2 SER HB2 H 3.942 0.05 2
6 . 3 ALA C C 178.178 0.10 1
7 . 3 ALA CA C 53.021 0.10 1
8 . 3 ALA CB C 19.082 0.10 1
9 . 3 ALA HA H 4.333 0.05 2
10 . 3 ALA H H 8.521 0.05 1
11 . 3 ALA N N 126.042 0.10 1
12 . 3 ALA HB H 1.420 0.05 1
13 . 4 GLU C C 177.009 0.10 1
14 . 4 GLU CA C 56.919 0.10 1
15 . 4 GLU CB C 30.239 0.10 1
16 . 4 GLU CG C 36.392 0.10 1
17 . 4 GLU HA H 4.281 0.05 2
18 . 4 GLU HB2 H 1.985 0.05 2
19 . 4 GLU HB3 H 2.078 0.05 2
20 . 4 GLU HG2 H 2.292 0.05 2
21 . 4 GLU H H 8.371 0.05 1
22 . 4 GLU N N 119.743 0.10 1
23 . 5 SER C C 174.848 0.10 1
24 . 5 SER CA C 58.746 0.10 1
25 . 5 SER CB C 63.677 0.10 1
26 . 5 SER HA H 4.409 0.05 2
27 . 5 SER HB2 H 3.885 0.05 2
28 . 5 SER H H 8.271 0.05 1
29 . 5 SER N N 116.672 0.10 1
30 . 6 ALA C C 178.031 0.10 1
31 . 6 ALA CA C 52.883 0.10 1
32 . 6 ALA CB C 19.127 0.10 1
33 . 6 ALA HA H 4.341 0.05 2
34 . 6 ALA H H 8.312 0.05 1
35 . 6 ALA N N 125.789 0.10 1
36 . 6 ALA HB H 1.429 0.05 1
37 . 7 SER C C 174.599 0.10 1
38 . 7 SER CA C 58.438 0.10 1
39 . 7 SER CB C 63.646 0.10 1
40 . 7 SER HA H 4.384 0.05 2
41 . 7 SER HB3 H 3.877 0.05 2
42 . 7 SER H H 8.141 0.05 1
43 . 7 SER N N 114.093 0.10 1
44 . 8 GLN C C 175.080 0.10 1
45 . 8 GLN CA C 55.562 0.10 1
46 . 8 GLN CB C 29.308 0.10 1
47 . 8 GLN CG C 33.960 0.10 1
48 . 8 GLN HA H 4.232 0.05 2
49 . 8 GLN HB2 H 1.899 0.05 2
50 . 8 GLN HB3 H 2.089 0.05 2
51 . 8 GLN HE21 H 6.854 0.05 2
52 . 8 GLN HG3 H 2.305 0.05 2
53 . 8 GLN H H 8.208 0.05 1
54 . 8 GLN N N 121.884 0.10 1
55 . 8 GLN NE2 N 112.359 0.10 1
56 . 9 ILE CA C 59.380 0.10 1
57 . 9 ILE CB C 38.552 0.10 1
58 . 9 ILE CD1 C 13.394 0.10 1
59 . 9 ILE CG1 C 27.336 0.10 1
60 . 9 ILE CG2 C 16.210 0.10 1
61 . 9 ILE HA H 3.547 0.05 2
62 . 9 ILE HB H 1.514 0.05 2
63 . 9 ILE HG12 H 1.391 0.05 2
64 . 9 ILE HG13 H 0.629 0.05 2
65 . 9 ILE H H 7.808 0.05 1
66 . 9 ILE N N 123.181 0.10 1
67 . 9 ILE HD1 H 0.842 0.05 1
68 . 9 ILE HG2 H 0.520 0.05 1
69 . 10 PRO C C 175.447 0.10 1
70 . 10 PRO CA C 63.169 0.10 1
71 . 10 PRO CB C 32.142 0.10 1
72 . 10 PRO CD C 51.246 0.10 1
73 . 10 PRO CG C 27.221 0.10 1
74 . 10 PRO HA H 4.099 0.05 2
75 . 10 PRO HB2 H 1.349 0.05 2
76 . 10 PRO HB3 H 2.195 0.05 2
77 . 10 PRO HD2 H 3.344 0.05 2
78 . 10 PRO HD3 H 2.657 0.05 2
79 . 10 PRO HG2 H 1.714 0.05 2
80 . 10 PRO HG3 H 2.024 0.05 2
81 . 11 LYS C C 178.012 0.10 1
82 . 11 LYS CA C 57.827 0.10 1
83 . 11 LYS CB C 32.241 0.10 1
84 . 11 LYS CD C 29.141 0.10 1
85 . 11 LYS CE C 42.020 0.10 1
86 . 11 LYS CG C 24.592 0.10 1
87 . 11 LYS HA H 3.963 0.05 2
88 . 11 LYS HB2 H 1.701 0.05 2
89 . 11 LYS HB3 H 1.751 0.05 2
90 . 11 LYS HD2 H 1.669 0.05 2
91 . 11 LYS HE2 H 2.983 0.05 2
92 . 11 LYS HG2 H 1.370 0.05 2
93 . 11 LYS HG3 H 1.447 0.05 2
94 . 11 LYS H H 8.165 0.05 1
95 . 11 LYS N N 122.226 0.10 1
96 . 12 GLY C C 173.531 0.10 1
97 . 12 GLY CA C 45.018 0.10 1
98 . 12 GLY HA2 H 3.618 0.05 2
99 . 12 GLY HA3 H 4.038 0.05 2
100 . 12 GLY H H 8.772 0.05 2
101 . 12 GLY N N 113.235 0.10 1
102 . 13 GLN C C 175.054 0.10 1
103 . 13 GLN CA C 52.149 0.10 1
104 . 13 GLN CB C 29.359 0.10 1
105 . 13 GLN CG C 32.386 0.10 1
106 . 13 GLN HA H 4.713 0.05 2
107 . 13 GLN HB2 H 1.474 0.05 2
108 . 13 GLN HB3 H 2.175 0.05 2
109 . 13 GLN HE21 H 5.991 0.05 2
110 . 13 GLN HE22 H 6.358 0.05 2
111 . 13 GLN HG2 H 2.190 0.05 2
112 . 13 GLN HG3 H 1.500 0.05 2
113 . 13 GLN H H 7.629 0.05 1
114 . 13 GLN N N 117.677 0.10 1
115 . 13 GLN NE2 N 109.239 0.10 1
116 . 14 VAL C C 175.349 0.10 1
117 . 14 VAL CA C 59.169 0.10 1
118 . 14 VAL CB C 35.558 0.10 1
119 . 14 VAL CG1 C 18.266 0.10 1
120 . 14 VAL CG2 C 21.489 0.10 1
121 . 14 VAL HA H 4.746 0.05 2
122 . 14 VAL HB H 2.368 0.05 2
123 . 14 VAL H H 9.592 0.05 1
124 . 14 VAL N N 113.946 0.10 1
125 . 14 VAL HG1 H 0.939 0.05 2
126 . 14 VAL HG2 H 0.989 0.05 2
127 . 15 ASP C C 178.332 0.10 1
128 . 15 ASP CA C 54.562 0.10 1
129 . 15 ASP CB C 41.730 0.10 1
130 . 15 ASP HA H 5.070 0.05 2
131 . 15 ASP HB2 H 3.098 0.05 2
132 . 15 ASP HB3 H 2.655 0.05 2
133 . 15 ASP H H 8.638 0.05 1
134 . 15 ASP N N 121.447 0.10 1
135 . 16 LEU C C 176.739 0.10 1
136 . 16 LEU CA C 55.427 0.10 1
137 . 16 LEU CB C 41.909 0.10 1
138 . 16 LEU CD2 C 21.854 0.10 1
139 . 16 LEU CG C 27.302 0.10 1
140 . 16 LEU HA H 4.535 0.05 2
141 . 16 LEU HB2 H 1.852 0.05 2
142 . 16 LEU HB3 H 1.575 0.05 2
143 . 16 LEU HG H 0.575 0.05 2
144 . 16 LEU H H 9.065 0.05 1
145 . 16 LEU N N 128.911 0.10 1
146 . 16 LEU HD2 H 0.534 0.05 2
147 . 17 LEU C C 179.184 0.10 1
148 . 17 LEU CA C 59.127 0.10 1
149 . 17 LEU CB C 42.914 0.10 1
150 . 17 LEU CD1 C 25.739 0.10 1
151 . 17 LEU CD2 C 25.261 0.10 1
152 . 17 LEU HA H 4.079 0.05 2
153 . 17 LEU HB2 H 1.787 0.05 2
154 . 17 LEU HB3 H 1.987 0.05 2
155 . 17 LEU HG H 1.903 0.05 2
156 . 17 LEU H H 8.817 0.05 1
157 . 17 LEU N N 123.094 0.10 1
158 . 17 LEU HD1 H 1.108 0.05 2
159 . 17 LEU HD2 H 1.310 0.05 2
160 . 18 ASP C C 176.749 0.10 1
161 . 18 ASP CA C 56.431 0.10 1
162 . 18 ASP CB C 40.390 0.10 1
163 . 18 ASP HA H 4.529 0.05 2
164 . 18 ASP HB2 H 2.406 0.05 2
165 . 18 ASP HB3 H 2.010 0.05 2
166 . 18 ASP H H 8.468 0.05 1
167 . 18 ASP N N 115.172 0.10 1
168 . 19 PHE C C 174.866 0.10 1
169 . 19 PHE CA C 57.233 0.10 1
170 . 19 PHE CB C 39.548 0.10 1
171 . 19 PHE HA H 4.871 0.05 2
172 . 19 PHE HB2 H 3.501 0.05 2
173 . 19 PHE HB3 H 3.032 0.05 2
174 . 19 PHE H H 8.509 0.05 1
175 . 19 PHE N N 117.352 0.10 1
176 . 19 PHE HD1 H 7.214 0.05 3
177 . 19 PHE HE1 H 6.846 0.05 3
178 . 20 ILE C C 174.808 0.10 1
179 . 20 ILE CA C 63.815 0.10 1
180 . 20 ILE CB C 38.950 0.10 1
181 . 20 ILE CD1 C 13.220 0.10 1
182 . 20 ILE CG1 C 28.285 0.10 1
183 . 20 ILE CG2 C 14.538 0.10 1
184 . 20 ILE HA H 3.353 0.05 2
185 . 20 ILE HB H 1.371 0.05 2
186 . 20 ILE HG12 H 1.913 0.05 2
187 . 20 ILE HG13 H 0.291 0.05 2
188 . 20 ILE H H 7.387 0.05 1
189 . 20 ILE N N 122.312 0.10 1
190 . 20 ILE HD1 H 0.692 0.05 1
191 . 20 ILE HG2 H -0.647 0.05 1
192 . 21 ASP C C 176.239 0.10 1
193 . 21 ASP CA C 51.529 0.10 1
194 . 21 ASP CB C 39.311 0.10 1
195 . 21 ASP HA H 4.824 0.05 2
196 . 21 ASP HB2 H 2.102 0.05 2
197 . 21 ASP HB3 H 2.542 0.05 2
198 . 21 ASP H H 8.353 0.05 1
199 . 21 ASP N N 125.921 0.10 1
200 . 22 TRP C C 177.677 0.10 1
201 . 22 TRP CA C 60.310 0.10 1
202 . 22 TRP CB C 28.946 0.10 1
203 . 22 TRP CD1 C 127.621 0.10 1
204 . 22 TRP CE3 C 120.118 0.10 1
205 . 22 TRP CZ2 C 114.528 0.10 1
206 . 22 TRP HA H 4.053 0.05 2
207 . 22 TRP HB2 H 3.531 0.05 2
208 . 22 TRP HB3 H 3.146 0.05 2
209 . 22 TRP HD1 H 7.545 0.05 2
210 . 22 TRP HE1 H 10.529 0.05 2
211 . 22 TRP HE3 H 7.751 0.05 4
212 . 22 TRP HH2 H 6.894 0.05 4
213 . 22 TRP H H 7.947 0.05 1
214 . 22 TRP HZ2 H 7.495 0.05 2
215 . 22 TRP N N 124.732 0.10 1
216 . 22 TRP NE1 N 130.395 0.10 1
217 . 23 SER C C 175.219 0.10 1
218 . 23 SER CA C 61.006 0.10 1
219 . 23 SER CB C 63.229 0.10 1
220 . 23 SER HA H 4.414 0.05 2
221 . 23 SER HB2 H 4.064 0.05 2
222 . 23 SER H H 8.379 0.05 1
223 . 23 SER N N 114.551 0.10 1
224 . 24 GLY C C 173.913 0.10 1
225 . 24 GLY CA C 44.686 0.10 1
226 . 24 GLY HA2 H 4.730 0.05 2
227 . 24 GLY HA3 H 3.716 0.05 2
228 . 24 GLY H H 7.445 0.05 1
229 . 24 GLY N N 106.746 0.10 1
230 . 25 VAL C C 176.291 0.10 1
231 . 25 VAL CA C 62.232 0.10 1
232 . 25 VAL CB C 32.517 0.10 1
233 . 25 VAL CG1 C 22.198 0.10 1
234 . 25 VAL HA H 4.406 0.05 2
235 . 25 VAL HB H 1.940 0.05 2
236 . 25 VAL H H 6.619 0.05 1
237 . 25 VAL N N 117.878 0.10 1
238 . 25 VAL HG1 H 0.770 0.05 2
239 . 26 GLU C C 174.373 0.10 1
240 . 26 GLU CA C 55.338 0.10 1
241 . 26 GLU CB C 34.931 0.10 1
242 . 26 GLU CG C 36.352 0.10 1
243 . 26 GLU HA H 4.797 0.05 2
244 . 26 GLU HB2 H 2.103 0.05 2
245 . 26 GLU HB3 H 2.007 0.05 2
246 . 26 GLU HG3 H 2.257 0.05 2
247 . 26 GLU H H 8.898 0.05 1
248 . 26 GLU N N 124.169 0.10 1
249 . 27 CYS C C 173.601 0.10 1
250 . 27 CYS CA C 57.305 0.10 1
251 . 27 CYS CB C 29.244 0.10 1
252 . 27 CYS HA H 5.440 0.05 2
253 . 27 CYS HB2 H 2.583 0.05 2
254 . 27 CYS HB3 H 3.031 0.05 2
255 . 27 CYS H H 9.090 0.05 1
256 . 27 CYS N N 123.372 0.10 1
257 . 28 LEU C C 177.469 0.10 1
258 . 28 LEU CA C 55.077 0.10 1
259 . 28 LEU CB C 43.005 0.10 1
260 . 28 LEU CD1 C 22.777 0.10 1
261 . 28 LEU CG C 25.209 0.10 1
262 . 28 LEU HA H 4.694 0.05 2
263 . 28 LEU HB2 H 1.757 0.05 2
264 . 28 LEU HG H 0.827 0.05 2
265 . 28 LEU H H 9.395 0.05 1
266 . 28 LEU N N 130.569 0.10 1
267 . 28 LEU HD1 H 0.881 0.05 2
268 . 29 ASN C C 175.173 0.10 1
269 . 29 ASN CA C 54.041 0.10 1
270 . 29 ASN CB C 38.777 0.10 1
271 . 29 ASN HA H 4.696 0.05 2
272 . 29 ASN HB2 H 2.659 0.05 2
273 . 29 ASN HB3 H 4.232 0.05 2
274 . 29 ASN HD21 H 6.052 0.05 2
275 . 29 ASN H H 9.136 0.05 1
276 . 29 ASN N N 116.944 0.10 1
277 . 29 ASN ND2 N 116.489 0.10 1
278 . 30 GLN C C 176.552 0.10 1
279 . 30 GLN CA C 54.245 0.10 1
280 . 30 GLN CB C 29.682 0.10 1
281 . 30 GLN CG C 31.418 0.10 1
282 . 30 GLN HA H 4.709 0.05 2
283 . 30 GLN HB2 H 2.167 0.05 2
284 . 30 GLN HB3 H 2.328 0.05 2
285 . 30 GLN HE21 H 7.003 0.05 2
286 . 30 GLN HE22 H 7.550 0.05 2
287 . 30 GLN HG3 H 2.739 0.05 2
288 . 30 GLN H H 7.511 0.05 1
289 . 30 GLN N N 112.818 0.10 1
290 . 30 GLN NE2 N 110.654 0.10 1
291 . 31 SER CA C 57.263 0.10 1
292 . 31 SER CB C 63.355 0.10 1
293 . 31 SER H H 8.627 0.05 1
294 . 31 SER N N 117.910 0.10 1
295 . 32 SER C C 175.555 0.10 1
296 . 32 SER CA C 61.033 0.10 1
297 . 32 SER CB C 62.975 0.10 1
298 . 32 SER HA H 4.214 0.05 2
299 . 32 SER HB2 H 3.977 0.05 2
300 . 32 SER H H 9.319 0.05 1
301 . 32 SER N N 116.507 0.10 1
302 . 33 SER C C 173.482 0.10 1
303 . 33 SER CA C 58.836 0.10 1
304 . 33 SER CB C 63.831 0.10 1
305 . 33 SER HA H 4.415 0.05 2
306 . 33 SER HB3 H 3.544 0.05 2
307 . 33 SER H H 7.951 0.05 1
308 . 33 SER N N 114.696 0.10 1
309 . 34 HIS C C 173.655 0.10 1
310 . 34 HIS CA C 55.017 0.10 1
311 . 34 HIS CB C 30.238 0.10 1
312 . 34 HIS CD2 C 121.000 0.10 1
313 . 34 HIS CE1 C 137.965 0.10 1
314 . 34 HIS HA H 4.692 0.05 2
315 . 34 HIS HB2 H 3.559 0.05 2
316 . 34 HIS HB3 H 2.844 0.05 2
317 . 34 HIS HD2 H 7.052 0.05 2
318 . 34 HIS HE1 H 7.990 0.05 2
319 . 34 HIS H H 7.390 0.05 1
320 . 34 HIS N N 123.718 0.10 1
321 . 35 SER C C 174.682 0.10 1
322 . 35 SER CA C 58.682 0.10 1
323 . 35 SER CB C 65.467 0.10 1
324 . 35 SER HA H 4.672 0.05 2
325 . 35 SER HB3 H 4.012 0.05 2
326 . 35 SER H H 7.740 0.05 1
327 . 35 SER N N 114.990 0.10 1
328 . 36 LEU CA C 55.941 0.10 1
329 . 36 LEU CB C 39.428 0.10 1
330 . 36 LEU HA H 4.295 0.05 2
331 . 36 LEU HB2 H 1.698 0.05 2
332 . 36 LEU HB3 H 2.179 0.05 2
333 . 36 LEU H H 8.738 0.05 1
334 . 36 LEU N N 118.493 0.10 1
335 . 36 LEU HD1 H 0.877 0.05 2
336 . 37 PRO C C 176.041 0.10 1
337 . 37 PRO CA C 66.984 0.10 1
338 . 37 PRO CB C 30.901 0.10 1
339 . 37 PRO CD C 49.841 0.10 1
340 . 37 PRO CG C 28.659 0.10 1
341 . 37 PRO HA H 4.216 0.05 2
342 . 37 PRO HB2 H 2.019 0.05 2
343 . 37 PRO HB3 H 1.751 0.05 2
344 . 37 PRO HD2 H 3.731 0.05 2
345 . 37 PRO HD3 H 3.987 0.05 2
346 . 37 PRO HG2 H 1.958 0.05 2
347 . 37 PRO HG3 H 2.146 0.05 2
348 . 38 ASN C C 174.761 0.10 1
349 . 38 ASN CA C 55.130 0.10 1
350 . 38 ASN CB C 38.523 0.10 1
351 . 38 ASN HA H 4.273 0.05 2
352 . 38 ASN HB2 H 2.090 0.05 2
353 . 38 ASN HB3 H 2.991 0.05 2
354 . 38 ASN HD21 H 7.452 0.05 2
355 . 38 ASN HD22 H 7.653 0.05 2
356 . 38 ASN H H 7.558 0.05 1
357 . 38 ASN N N 111.785 0.10 1
358 . 38 ASN ND2 N 109.494 0.10 1
359 . 39 ALA C C 176.611 0.10 1
360 . 39 ALA CA C 50.890 0.10 1
361 . 39 ALA CB C 21.472 0.10 1
362 . 39 ALA HA H 5.048 0.05 2
363 . 39 ALA H H 7.679 0.05 1
364 . 39 ALA N N 114.380 0.10 1
365 . 39 ALA HB H 1.246 0.05 1
366 . 40 LEU C C 175.982 0.10 1
367 . 40 LEU CA C 55.124 0.10 1
368 . 40 LEU CB C 48.780 0.10 1
369 . 40 LEU CG C 26.332 0.10 1
370 . 40 LEU HA H 4.946 0.05 2
371 . 40 LEU HB2 H 1.260 0.05 2
372 . 40 LEU HB3 H 1.932 0.05 2
373 . 40 LEU HG H 0.701 0.05 2
374 . 40 LEU H H 7.538 0.05 1
375 . 40 LEU N N 117.869 0.10 1
376 . 40 LEU HD2 H 0.878 0.05 2
377 . 41 LYS C C 175.599 0.10 1
378 . 41 LYS CA C 57.183 0.10 1
379 . 41 LYS CB C 35.554 0.10 1
380 . 41 LYS CD C 29.941 0.10 1
381 . 41 LYS CE C 41.547 0.10 1
382 . 41 LYS HA H 4.423 0.05 2
383 . 41 LYS HB2 H 1.550 0.05 2
384 . 41 LYS HB3 H 1.932 0.05 2
385 . 41 LYS HD3 H 1.176 0.05 2
386 . 41 LYS HE2 H 2.184 0.05 2
387 . 41 LYS HG2 H 1.429 0.05 2
388 . 41 LYS HG3 H 0.980 0.05 2
389 . 41 LYS H H 8.485 0.05 1
390 . 41 LYS N N 117.826 0.10 1
391 . 42 GLN CA C 58.073 0.10 1
392 . 42 GLN CB C 28.523 0.10 1
393 . 42 GLN CG C 33.410 0.10 1
394 . 42 GLN HA H 4.041 0.05 2
395 . 42 GLN HB2 H 2.069 0.05 2
396 . 42 GLN HB3 H 2.186 0.05 2
397 . 42 GLN HE21 H 6.958 0.05 2
398 . 42 GLN HE22 H 7.574 0.05 2
399 . 42 GLN HG2 H 2.452 0.05 2
400 . 42 GLN H H 8.909 0.05 1
401 . 42 GLN N N 125.295 0.10 1
402 . 42 GLN NE2 N 111.950 0.10 1
403 . 43 GLY C C 175.626 0.10 1
404 . 43 GLY CA C 46.191 0.10 1
405 . 43 GLY HA2 H 3.465 0.05 2
406 . 43 GLY HA3 H 4.240 0.05 2
407 . 43 GLY H H 9.379 0.05 1
408 . 43 GLY N N 117.096 0.10 1
409 . 44 TYR C C 179.441 0.10 1
410 . 44 TYR CA C 58.729 0.10 1
411 . 44 TYR CB C 39.284 0.10 1
412 . 44 TYR CD1 C 132.599 0.10 1
413 . 44 TYR CE1 C 118.280 0.10 1
414 . 44 TYR HA H 4.481 0.05 2
415 . 44 TYR HB2 H 3.215 0.05 2
416 . 44 TYR HB3 H 2.998 0.05 2
417 . 44 TYR H H 7.652 0.05 1
418 . 44 TYR N N 121.998 0.10 1
419 . 44 TYR HD1 H 7.037 0.05 3
420 . 44 TYR HE1 H 6.831 0.05 3
421 . 45 ARG C C 176.460 0.10 1
422 . 45 ARG CA C 58.795 0.10 1
423 . 45 ARG CB C 35.915 0.10 1
424 . 45 ARG HA H 4.281 0.05 2
425 . 45 ARG HB2 H 1.651 0.05 2
426 . 45 ARG HB3 H 1.879 0.05 2
427 . 45 ARG H H 8.844 0.05 1
428 . 45 ARG N N 115.602 0.10 1
429 . 46 GLU C C 176.147 0.10 1
430 . 46 GLU CA C 56.660 0.10 1
431 . 46 GLU CB C 28.947 0.10 1
432 . 46 GLU CG C 36.457 0.10 1
433 . 46 GLU HA H 4.303 0.05 2
434 . 46 GLU HB2 H 1.969 0.05 2
435 . 46 GLU HG3 H 2.388 0.05 2
436 . 46 GLU H H 7.898 0.05 1
437 . 46 GLU N N 116.544 0.10 1
438 . 47 ASP C C 177.932 0.10 1
439 . 47 ASP CA C 53.892 0.10 1
440 . 47 ASP CB C 41.466 0.10 1
441 . 47 ASP HA H 4.599 0.05 2
442 . 47 ASP HB2 H 3.318 0.05 2
443 . 47 ASP HB3 H 2.523 0.05 2
444 . 47 ASP H H 7.568 0.05 1
445 . 47 ASP N N 120.400 0.10 1
446 . 48 GLU C C 176.720 0.10 1
447 . 48 GLU CA C 58.262 0.10 1
448 . 48 GLU CB C 29.291 0.10 1
449 . 48 GLU CG C 36.552 0.10 1
450 . 48 GLU HA H 3.987 0.05 2
451 . 48 GLU HB2 H 1.973 0.05 2
452 . 48 GLU HB3 H 2.128 0.05 2
453 . 48 GLU HG3 H 2.311 0.05 2
454 . 48 GLU H H 9.107 0.05 1
455 . 48 GLU N N 128.149 0.10 1
456 . 49 GLY C C 173.493 0.10 1
457 . 49 GLY CA C 44.985 0.10 1
458 . 49 GLY HA2 H 3.693 0.05 2
459 . 49 GLY HA3 H 4.181 0.05 2
460 . 49 GLY H H 9.110 0.05 1
461 . 49 GLY N N 106.857 0.10 1
462 . 50 LEU C C 174.954 0.10 1
463 . 50 LEU CA C 53.145 0.10 1
464 . 50 LEU CB C 43.962 0.10 1
465 . 50 LEU CD1 C 22.942 0.10 1
466 . 50 LEU CD2 C 26.284 0.10 1
467 . 50 LEU CG C 26.262 0.10 1
468 . 50 LEU HA H 4.766 0.05 2
469 . 50 LEU HB2 H 1.140 0.05 2
470 . 50 LEU HB3 H 1.724 0.05 2
471 . 50 LEU HG H 1.488 0.05 2
472 . 50 LEU H H 7.228 0.05 1
473 . 50 LEU N N 120.944 0.10 1
474 . 50 LEU HD1 H 0.869 0.05 2
475 . 50 LEU HD2 H 0.992 0.05 2
476 . 51 ASN C C 175.923 0.10 1
477 . 51 ASN CA C 51.602 0.10 1
478 . 51 ASN CB C 41.733 0.10 1
479 . 51 ASN HA H 5.258 0.05 2
480 . 51 ASN HB2 H 2.396 0.05 2
481 . 51 ASN HB3 H 2.529 0.05 2
482 . 51 ASN HD21 H 6.696 0.05 2
483 . 51 ASN HD22 H 7.393 0.05 2
484 . 51 ASN H H 8.907 0.05 1
485 . 51 ASN N N 118.285 0.10 1
486 . 51 ASN ND2 N 110.616 0.10 1
487 . 52 LEU C C 174.928 0.10 1
488 . 52 LEU CA C 53.929 0.10 1
489 . 52 LEU CB C 44.291 0.10 1
490 . 52 LEU CD1 C 23.248 0.10 1
491 . 52 LEU CG C 26.873 0.10 1
492 . 52 LEU HA H 4.573 0.05 2
493 . 52 LEU HB2 H 1.388 0.05 2
494 . 52 LEU HB3 H 1.708 0.05 2
495 . 52 LEU HG H 0.835 0.05 2
496 . 52 LEU H H 9.021 0.05 1
497 . 52 LEU N N 123.482 0.10 1
498 . 52 LEU HD1 H 1.128 0.05 2
499 . 52 LEU HD2 H 0.984 0.05 2
500 . 53 GLU C C 175.579 0.10 1
501 . 53 GLU CA C 53.750 0.10 1
502 . 53 GLU CB C 33.558 0.10 1
503 . 53 GLU CG C 36.757 0.10 1
504 . 53 GLU HA H 5.729 0.05 2
505 . 53 GLU HB2 H 1.746 0.05 2
506 . 53 GLU HB3 H 2.100 0.05 2
507 . 53 GLU HG2 H 2.060 0.05 2
508 . 53 GLU H H 8.779 0.05 1
509 . 53 GLU N N 125.167 0.10 1
510 . 54 SER C C 172.708 0.10 1
511 . 54 SER CA C 58.296 0.10 1
512 . 54 SER CB C 64.617 0.10 1
513 . 54 SER HA H 5.085 0.05 2
514 . 54 SER HB2 H 3.508 0.05 2
515 . 54 SER HB3 H 4.573 0.05 2
516 . 54 SER HG H 6.173 0.05 2
517 . 54 SER H H 8.351 0.05 1
518 . 54 SER N N 117.008 0.10 1
519 . 55 ASP C C 176.539 0.10 1
520 . 55 ASP CA C 55.294 0.10 1
521 . 55 ASP CB C 42.359 0.10 1
522 . 55 ASP HA H 4.806 0.05 2
523 . 55 ASP HB2 H 2.124 0.05 2
524 . 55 ASP HB3 H 2.698 0.05 2
525 . 55 ASP H H 7.631 0.05 1
526 . 55 ASP N N 116.279 0.10 1
527 . 56 ALA C C 177.460 0.10 1
528 . 56 ALA CA C 53.983 0.10 1
529 . 56 ALA CB C 20.005 0.10 1
530 . 56 ALA HA H 4.218 0.05 2
531 . 56 ALA H H 8.929 0.05 1
532 . 56 ALA N N 120.386 0.10 1
533 . 56 ALA HB H 1.438 0.05 1
534 . 57 ASP C C 176.241 0.10 1
535 . 57 ASP CA C 53.660 0.10 1
536 . 57 ASP CB C 39.077 0.10 1
537 . 57 ASP HA H 4.496 0.05 2
538 . 57 ASP HB2 H 2.994 0.05 2
539 . 57 ASP HB3 H 3.158 0.05 2
540 . 57 ASP H H 7.922 0.05 1
541 . 57 ASP N N 113.285 0.10 1
542 . 58 GLU C C 176.668 0.10 1
543 . 58 GLU CA C 57.774 0.10 1
544 . 58 GLU CB C 29.878 0.10 1
545 . 58 GLU CG C 34.951 0.10 1
546 . 58 GLU HA H 4.037 0.05 2
547 . 58 GLU HB2 H 1.802 0.05 2
548 . 58 GLU HB3 H 2.083 0.05 2
549 . 58 GLU HG2 H 1.981 0.05 2
550 . 58 GLU HG3 H 2.467 0.05 2
551 . 58 GLU H H 9.932 0.05 1
552 . 58 GLU N N 117.011 0.10 1
553 . 59 GLN C C 176.288 0.10 1
554 . 59 GLN CA C 56.613 0.10 1
555 . 59 GLN CB C 30.844 0.10 1
556 . 59 GLN HA H 4.748 0.05 2
557 . 59 GLN HB3 H 2.337 0.05 2
558 . 59 GLN HE21 H 6.979 0.05 2
559 . 59 GLN HE22 H 7.573 0.05 2
560 . 59 GLN H H 8.288 0.05 1
561 . 59 GLN N N 119.733 0.10 1
562 . 59 GLN NE2 N 110.730 0.10 1
563 . 60 LEU C C 175.412 0.10 1
564 . 60 LEU CA C 54.448 0.10 1
565 . 60 LEU CB C 49.621 0.10 1
566 . 60 LEU CD1 C 25.059 0.10 1
567 . 60 LEU CD2 C 26.218 0.10 1
568 . 60 LEU HA H 5.174 0.05 2
569 . 60 LEU HB2 H 1.321 0.05 2
570 . 60 LEU HB3 H 1.680 0.05 2
571 . 60 LEU H H 8.279 0.05 1
572 . 60 LEU N N 117.007 0.10 1
573 . 60 LEU HD1 H 0.828 0.05 2
574 . 60 LEU HD2 H 0.682 0.05 2
575 . 61 LEU C C 174.281 0.10 1
576 . 61 LEU CA C 54.507 0.10 1
577 . 61 LEU CB C 45.248 0.10 1
578 . 61 LEU CD1 C 25.082 0.10 1
579 . 61 LEU CD2 C 24.899 0.10 1
580 . 61 LEU CG C 27.617 0.10 1
581 . 61 LEU HA H 5.360 0.05 2
582 . 61 LEU HB2 H 1.387 0.05 2
583 . 61 LEU HB3 H 1.015 0.05 2
584 . 61 LEU HG H 1.159 0.05 2
585 . 61 LEU H H 7.523 0.05 1
586 . 61 LEU N N 123.015 0.10 1
587 . 61 LEU HD1 H 0.241 0.05 2
588 . 61 LEU HD2 H 0.084 0.05 2
589 . 62 ILE C C 172.926 0.10 1
590 . 62 ILE CA C 61.004 0.10 1
591 . 62 ILE CB C 41.286 0.10 1
592 . 62 ILE CD1 C 14.388 0.10 1
593 . 62 ILE CG1 C 28.689 0.10 1
594 . 62 ILE CG2 C 18.049 0.10 1
595 . 62 ILE HA H 4.657 0.05 2
596 . 62 ILE HB H 1.879 0.05 2
597 . 62 ILE HG12 H 1.183 0.05 2
598 . 62 ILE H H 9.528 0.05 1
599 . 62 ILE N N 127.900 0.10 1
600 . 62 ILE HD1 H 0.693 0.05 1
601 . 62 ILE HG2 H 0.869 0.05 1
602 . 63 TYR C C 173.281 0.10 1
603 . 63 TYR CA C 57.198 0.10 1
604 . 63 TYR CB C 41.265 0.10 1
605 . 63 TYR CD1 C 134.007 0.10 1
606 . 63 TYR CE1 C 117.844 0.10 1
607 . 63 TYR HA H 5.201 0.05 2
608 . 63 TYR HB2 H 2.794 0.05 2
609 . 63 TYR HB3 H 2.958 0.05 2
610 . 63 TYR H H 9.370 0.05 1
611 . 63 TYR N N 129.887 0.10 1
612 . 63 TYR HD1 H 7.276 0.05 3
613 . 63 TYR HE1 H 6.686 0.05 3
614 . 64 ILE CA C 57.327 0.10 1
615 . 64 ILE CB C 41.093 0.10 1
616 . 64 ILE CD1 C 14.530 0.10 1
617 . 64 ILE CG1 C 27.054 0.10 1
618 . 64 ILE CG2 C 18.615 0.10 1
619 . 64 ILE HA H 3.983 0.05 2
620 . 64 ILE HB H 1.427 0.05 2
621 . 64 ILE HG12 H 0.534 0.05 2
622 . 64 ILE HG13 H 1.364 0.05 2
623 . 64 ILE H H 8.575 0.05 1
624 . 64 ILE N N 125.433 0.10 1
625 . 64 ILE HD1 H 0.608 0.05 1
626 . 64 ILE HG2 H -0.152 0.05 1
627 . 65 PRO CA C 60.653 0.10 1
628 . 65 PRO CB C 30.995 0.10 1
629 . 65 PRO CD C 49.806 0.10 1
630 . 65 PRO CG C 25.375 0.10 1
631 . 65 PRO HA H 4.464 0.05 2
632 . 65 PRO HB2 H 2.020 0.05 2
633 . 65 PRO HD2 H 3.338 0.05 2
634 . 65 PRO HD3 H 2.945 0.05 2
635 . 65 PRO HG2 H 2.402 0.05 2
636 . 65 PRO HG3 H 1.885 0.05 2
637 . 66 PHE C C 177.407 0.10 1
638 . 66 PHE CA C 56.691 0.10 1
639 . 66 PHE CB C 42.597 0.10 1
640 . 66 PHE HA H 5.255 0.05 2
641 . 66 PHE HB2 H 2.983 0.05 2
642 . 66 PHE HB3 H 3.344 0.05 2
643 . 66 PHE H H 8.238 0.05 1
644 . 66 PHE N N 117.061 0.10 1
645 . 66 PHE HD1 H 6.832 0.05 3
646 . 67 ASN C C 174.634 0.10 1
647 . 67 ASN CA C 53.626 0.10 1
648 . 67 ASN CB C 38.848 0.10 1
649 . 67 ASN HA H 4.699 0.05 2
650 . 67 ASN HB2 H 2.736 0.05 2
651 . 67 ASN HB3 H 3.145 0.05 2
652 . 67 ASN HD21 H 6.585 0.05 2
653 . 67 ASN HD22 H 7.523 0.05 2
654 . 67 ASN H H 9.591 0.05 1
655 . 67 ASN N N 119.019 0.10 1
656 . 67 ASN ND2 N 109.546 0.10 1
657 . 68 GLN C C 172.450 0.10 1
658 . 68 GLN CA C 53.634 0.10 1
659 . 68 GLN CB C 32.502 0.10 1
660 . 68 GLN HA H 4.527 0.05 2
661 . 68 GLN HB2 H 1.983 0.05 2
662 . 68 GLN HB3 H 2.298 0.05 2
663 . 68 GLN HE21 H 6.955 0.05 2
664 . 68 GLN HE22 H 7.640 0.05 2
665 . 68 GLN H H 7.875 0.05 1
666 . 68 GLN N N 114.356 0.10 1
667 . 68 GLN NE2 N 111.989 0.10 1
668 . 69 VAL C C 176.726 0.10 1
669 . 69 VAL CA C 63.501 0.10 1
670 . 69 VAL CB C 31.446 0.10 1
671 . 69 VAL CG1 C 21.584 0.10 1
672 . 69 VAL CG2 C 22.148 0.10 1
673 . 69 VAL HA H 4.094 0.05 2
674 . 69 VAL HB H 1.843 0.05 2
675 . 69 VAL H H 8.112 0.05 1
676 . 69 VAL N N 117.961 0.10 1
677 . 69 VAL HG1 H 0.810 0.05 2
678 . 69 VAL HG2 H 0.938 0.05 2
679 . 70 ILE C C 173.685 0.10 1
680 . 70 ILE CA C 57.979 0.10 1
681 . 70 ILE CB C 42.171 0.10 1
682 . 70 ILE CD1 C 15.313 0.10 1
683 . 70 ILE CG1 C 25.903 0.10 1
684 . 70 ILE CG2 C 21.093 0.10 1
685 . 70 ILE HA H 4.528 0.05 2
686 . 70 ILE HB H 1.552 0.05 2
687 . 70 ILE HG12 H -0.162 0.05 2
688 . 70 ILE HG13 H 0.726 0.05 2
689 . 70 ILE H H 8.859 0.05 1
690 . 70 ILE N N 123.874 0.10 1
691 . 70 ILE HD1 H -0.012 0.05 1
692 . 70 ILE HG2 H 0.256 0.05 1
693 . 71 LYS C C 175.899 0.10 1
694 . 71 LYS CA C 54.488 0.10 1
695 . 71 LYS CB C 33.167 0.10 1
696 . 71 LYS CD C 29.803 0.10 1
697 . 71 LYS CE C 41.909 0.10 1
698 . 71 LYS CG C 24.779 0.10 1
699 . 71 LYS HA H 5.045 0.05 2
700 . 71 LYS HB2 H 1.638 0.05 2
701 . 71 LYS HB3 H 1.748 0.05 2
702 . 71 LYS HD2 H 1.509 0.05 2
703 . 71 LYS HD3 H 1.577 0.05 2
704 . 71 LYS HE2 H 2.985 0.05 2
705 . 71 LYS HG2 H 1.252 0.05 2
706 . 71 LYS HG3 H 1.335 0.05 2
707 . 71 LYS H H 8.404 0.05 1
708 . 71 LYS N N 118.597 0.10 1
709 . 72 LEU C C 173.499 0.10 1
710 . 72 LEU CA C 54.575 0.10 1
711 . 72 LEU CB C 44.769 0.10 1
712 . 72 LEU CD1 C 25.244 0.10 1
713 . 72 LEU CD2 C 27.651 0.10 1
714 . 72 LEU CG C 27.757 0.10 1
715 . 72 LEU HA H 4.476 0.05 2
716 . 72 LEU HB2 H 0.930 0.05 2
717 . 72 LEU HB3 H 1.623 0.05 2
718 . 72 LEU HG H 1.159 0.05 2
719 . 72 LEU H H 8.199 0.05 1
720 . 72 LEU N N 124.971 0.10 1
721 . 72 LEU HD1 H 0.807 0.05 2
722 . 72 LEU HD2 H 0.271 0.05 2
723 . 73 HIS C C 175.002 0.10 1
724 . 73 HIS CA C 58.520 0.10 1
725 . 73 HIS CB C 36.152 0.10 1
726 . 73 HIS CE1 C 137.466 0.10 1
727 . 73 HIS HA H 4.645 0.05 2
728 . 73 HIS HB2 H 2.818 0.05 2
729 . 73 HIS HB3 H 2.910 0.05 2
730 . 73 HIS HD2 H 6.349 0.05 2
731 . 73 HIS HE1 H 7.386 0.05 2
732 . 73 HIS H H 9.213 0.05 1
733 . 73 HIS N N 123.769 0.10 1
734 . 74 SER C C 172.462 0.10 1
735 . 74 SER CA C 57.168 0.10 1
736 . 74 SER CB C 65.142 0.10 1
737 . 74 SER HA H 4.975 0.05 2
738 . 74 SER HB2 H 4.049 0.05 2
739 . 74 SER HB3 H 3.560 0.05 2
740 . 74 SER H H 8.465 0.05 1
741 . 74 SER N N 109.810 0.10 1
742 . 75 PHE C C 171.474 0.10 1
743 . 75 PHE CA C 55.630 0.10 1
744 . 75 PHE CB C 42.803 0.10 1
745 . 75 PHE CE1 C 132.398 0.10 1
746 . 75 PHE HA H 5.312 0.05 2
747 . 75 PHE HB2 H 2.786 0.05 2
748 . 75 PHE HB3 H 3.165 0.05 2
749 . 75 PHE H H 8.538 0.05 1
750 . 75 PHE N N 113.647 0.10 1
751 . 75 PHE HD1 H 6.809 0.05 3
752 . 75 PHE HE1 H 6.958 0.05 3
753 . 76 ALA C C 176.028 0.10 1
754 . 76 ALA CA C 51.082 0.10 1
755 . 76 ALA CB C 22.739 0.10 1
756 . 76 ALA HA H 4.760 0.05 2
757 . 76 ALA H H 9.324 0.05 1
758 . 76 ALA N N 121.566 0.10 1
759 . 76 ALA HB H 1.263 0.05 1
760 . 77 ILE C C 173.226 0.10 1
761 . 77 ILE CA C 60.025 0.10 1
762 . 77 ILE CB C 42.117 0.10 1
763 . 77 ILE CD1 C 13.672 0.10 1
764 . 77 ILE CG1 C 29.001 0.10 1
765 . 77 ILE CG2 C 17.595 0.10 1
766 . 77 ILE HA H 5.029 0.05 2
767 . 77 ILE HB H 1.660 0.05 2
768 . 77 ILE HG12 H 1.203 0.05 2
769 . 77 ILE HG13 H 2.012 0.05 2
770 . 77 ILE H H 8.984 0.05 1
771 . 77 ILE N N 123.163 0.10 1
772 . 77 ILE HD1 H 0.789 0.05 1
773 . 77 ILE HG2 H 0.815 0.05 1
774 . 78 LYS C C 177.816 0.10 1
775 . 78 LYS CA C 53.760 0.10 1
776 . 78 LYS CB C 36.196 0.10 1
777 . 78 LYS CD C 29.357 0.10 1
778 . 78 LYS CE C 41.757 0.10 1
779 . 78 LYS CG C 25.186 0.10 1
780 . 78 LYS HA H 5.218 0.05 2
781 . 78 LYS HB2 H 1.503 0.05 2
782 . 78 LYS HB3 H 1.998 0.05 2
783 . 78 LYS HD2 H 1.496 0.05 2
784 . 78 LYS HD3 H 1.767 0.05 2
785 . 78 LYS HE2 H 2.807 0.05 2
786 . 78 LYS HE3 H 3.020 0.05 2
787 . 78 LYS HG2 H 1.127 0.05 2
788 . 78 LYS HG3 H 1.537 0.05 2
789 . 78 LYS H H 8.499 0.05 1
790 . 78 LYS N N 119.889 0.10 1
791 . 79 GLY CA C 45.261 0.10 1
792 . 79 GLY HA2 H 4.184 0.05 2
793 . 79 GLY HA3 H 4.033 0.05 2
794 . 79 GLY H H 8.459 0.05 1
795 . 79 GLY N N 110.190 0.10 1
796 . 80 PRO C C 176.155 0.10 1
797 . 80 PRO CA C 62.466 0.10 1
798 . 80 PRO CB C 32.484 0.10 1
799 . 80 PRO CD C 48.504 0.10 1
800 . 80 PRO CG C 28.603 0.10 1
801 . 80 PRO HA H 4.624 0.05 2
802 . 80 PRO HB2 H 2.397 0.05 2
803 . 80 PRO HD2 H 3.530 0.05 2
804 . 80 PRO HD3 H 3.308 0.05 2
805 . 80 PRO HG2 H 2.003 0.05 2
806 . 80 PRO HG3 H 1.925 0.05 2
807 . 81 GLU C C 176.718 0.10 1
808 . 81 GLU CA C 60.385 0.10 1
809 . 81 GLU CB C 29.968 0.10 1
810 . 81 GLU CG C 37.017 0.10 1
811 . 81 GLU HA H 3.867 0.05 2
812 . 81 GLU HB2 H 2.023 0.05 2
813 . 81 GLU HG2 H 2.363 0.05 2
814 . 81 GLU H H 8.659 0.05 1
815 . 81 GLU N N 118.050 0.10 1
816 . 82 GLU C C 179.142 0.10 1
817 . 82 GLU CA C 59.075 0.10 1
818 . 82 GLU CB C 29.313 0.10 1
819 . 82 GLU CG C 36.824 0.10 1
820 . 82 GLU HA H 4.355 0.05 2
821 . 82 GLU HB2 H 1.946 0.05 2
822 . 82 GLU HB3 H 2.073 0.05 2
823 . 82 GLU HG3 H 2.269 0.05 2
824 . 82 GLU H H 8.384 0.05 1
825 . 82 GLU N N 114.068 0.10 1
826 . 83 GLU C C 176.001 0.10 1
827 . 83 GLU CA C 56.510 0.10 1
828 . 83 GLU CB C 29.228 0.10 1
829 . 83 GLU CG C 36.594 0.10 1
830 . 83 GLU HA H 4.472 0.05 2
831 . 83 GLU HB2 H 1.696 0.05 2
832 . 83 GLU HB3 H 2.700 0.05 2
833 . 83 GLU HG2 H 2.094 0.05 2
834 . 83 GLU HG3 H 2.349 0.05 2
835 . 83 GLU H H 8.169 0.05 1
836 . 83 GLU N N 116.007 0.10 1
837 . 84 GLY CA C 44.195 0.10 1
838 . 84 GLY HA2 H 3.800 0.05 2
839 . 84 GLY HA3 H 5.183 0.05 2
840 . 84 GLY H H 7.723 0.05 1
841 . 84 GLY N N 108.013 0.10 1
842 . 85 PRO C C 172.388 0.10 1
843 . 85 PRO CA C 64.012 0.10 1
844 . 85 PRO CB C 32.676 0.10 1
845 . 85 PRO CD C 48.811 0.10 1
846 . 85 PRO CG C 29.373 0.10 1
847 . 85 PRO HA H 3.942 0.05 2
848 . 85 PRO HB2 H 1.706 0.05 2
849 . 85 PRO HB3 H 1.999 0.05 2
850 . 85 PRO HD2 H 3.220 0.05 2
851 . 85 PRO HD3 H 4.241 0.05 2
852 . 85 PRO HG2 H 1.618 0.05 2
853 . 85 PRO HG3 H 1.881 0.05 2
854 . 86 LYS C C 173.667 0.10 1
855 . 86 LYS CA C 57.726 0.10 1
856 . 86 LYS CB C 36.818 0.10 1
857 . 86 LYS CD C 29.855 0.10 1
858 . 86 LYS CE C 41.951 0.10 1
859 . 86 LYS CG C 24.767 0.10 1
860 . 86 LYS HA H 4.515 0.05 2
861 . 86 LYS HB2 H 1.053 0.05 2
862 . 86 LYS HB3 H 1.224 0.05 2
863 . 86 LYS HD2 H 1.746 0.05 2
864 . 86 LYS HD3 H 1.530 0.05 2
865 . 86 LYS HE2 H 2.958 0.05 2
866 . 86 LYS HG2 H 1.514 0.05 2
867 . 86 LYS H H 8.859 0.05 1
868 . 86 LYS N N 120.656 0.10 1
869 . 87 THR C C 173.646 0.10 1
870 . 87 THR CA C 62.761 0.10 1
871 . 87 THR CB C 70.028 0.10 1
872 . 87 THR CG2 C 22.192 0.10 1
873 . 87 THR HA H 4.811 0.05 2
874 . 87 THR HB H 3.751 0.05 2
875 . 87 THR H H 6.826 0.05 1
876 . 87 THR N N 115.354 0.10 1
877 . 87 THR HG2 H 1.204 0.05 1
878 . 88 VAL C C 173.694 0.10 1
879 . 88 VAL CA C 60.211 0.10 1
880 . 88 VAL CB C 34.666 0.10 1
881 . 88 VAL CG1 C 23.416 0.10 1
882 . 88 VAL CG2 C 21.453 0.10 1
883 . 88 VAL HA H 4.837 0.05 2
884 . 88 VAL HB H 1.771 0.05 2
885 . 88 VAL H H 8.954 0.05 1
886 . 88 VAL N N 126.854 0.10 1
887 . 88 VAL HG1 H 0.227 0.05 2
888 . 88 VAL HG2 H 0.750 0.05 2
889 . 89 LYS C C 173.747 0.10 1
890 . 89 LYS CA C 55.042 0.10 1
891 . 89 LYS CB C 36.872 0.10 1
892 . 89 LYS CD C 29.984 0.10 1
893 . 89 LYS CG C 26.986 0.10 1
894 . 89 LYS HA H 4.934 0.05 2
895 . 89 LYS HB2 H 1.697 0.05 2
896 . 89 LYS HB3 H 2.030 0.05 2
897 . 89 LYS HD2 H 2.019 0.05 2
898 . 89 LYS HE2 H 2.761 0.05 2
899 . 89 LYS HE3 H 3.008 0.05 2
900 . 89 LYS HG3 H 1.366 0.05 2
901 . 89 LYS H H 9.281 0.05 1
902 . 89 LYS N N 125.628 0.10 1
903 . 90 PHE C C 175.140 0.10 1
904 . 90 PHE CA C 56.959 0.10 1
905 . 90 PHE CB C 43.109 0.10 1
906 . 90 PHE CD1 C 130.558 0.10 1
907 . 90 PHE HA H 5.264 0.05 2
908 . 90 PHE HB3 H 2.805 0.05 2
909 . 90 PHE H H 8.564 0.05 1
910 . 90 PHE N N 118.848 0.10 1
911 . 90 PHE HD1 H 6.365 0.05 3
912 . 90 PHE HE1 H 6.730 0.05 3
913 . 91 PHE CA C 56.434 0.10 1
914 . 91 PHE CB C 41.102 0.10 1
915 . 91 PHE HA H 5.020 0.05 2
916 . 91 PHE HB2 H 3.040 0.05 2
917 . 91 PHE H H 9.559 0.05 1
918 . 91 PHE N N 119.824 0.10 1
919 . 91 PHE HD1 H 7.199 0.05 3
920 . 92 SER C C 174.634 0.10 1
921 . 92 SER CA C 57.093 0.10 1
922 . 92 SER CB C 64.714 0.10 1
923 . 92 SER HA H 5.170 0.05 2
924 . 92 SER HB2 H 3.913 0.05 2
925 . 92 SER HB3 H 3.950 0.05 2
926 . 92 SER H H 8.666 0.05 1
927 . 92 SER N N 117.859 0.10 1
928 . 93 ASN C C 174.213 0.10 1
929 . 93 ASN CA C 54.077 0.10 1
930 . 93 ASN CB C 36.268 0.10 1
931 . 93 ASN HA H 4.640 0.05 2
932 . 93 ASN HB2 H 3.129 0.05 2
933 . 93 ASN HD21 H 7.448 0.05 2
934 . 93 ASN HD22 H 7.609 0.05 2
935 . 93 ASN H H 9.246 0.05 1
936 . 93 ASN N N 121.671 0.10 1
937 . 93 ASN ND2 N 111.659 0.10 1
938 . 94 LYS C C 175.436 0.10 1
939 . 94 LYS CA C 53.455 0.10 1
940 . 94 LYS CB C 34.003 0.10 1
941 . 94 LYS HA H 4.692 0.05 2
942 . 94 LYS HB3 H 1.607 0.05 2
943 . 94 LYS HE2 H 3.054 0.05 2
944 . 94 LYS H H 8.059 0.05 1
945 . 94 LYS N N 117.719 0.10 1
946 . 95 GLU C C 175.783 0.10 1
947 . 95 GLU CA C 55.440 0.10 1
948 . 95 GLU CB C 31.427 0.10 1
949 . 95 GLU CG C 36.180 0.10 1
950 . 95 GLU HA H 4.123 0.05 2
951 . 95 GLU HB2 H 1.536 0.05 2
952 . 95 GLU HB3 H 1.452 0.05 2
953 . 95 GLU HG2 H 2.009 0.05 2
954 . 95 GLU H H 8.408 0.05 1
955 . 95 GLU N N 122.173 0.10 1
956 . 96 HIS C C 175.077 0.10 1
957 . 96 HIS CA C 55.841 0.10 1
958 . 96 HIS CB C 27.325 0.10 1
959 . 96 HIS CD2 C 120.560 0.10 1
960 . 96 HIS CE1 C 137.356 0.10 1
961 . 96 HIS HA H 4.092 0.05 2
962 . 96 HIS HB3 H 3.063 0.05 2
963 . 96 HIS HD2 H 6.915 0.05 2
964 . 96 HIS HE1 H 8.048 0.05 2
965 . 96 HIS H H 8.267 0.05 1
966 . 96 HIS N N 115.056 0.10 1
967 . 97 MET C C 175.277 0.10 1
968 . 97 MET CA C 56.451 0.10 1
969 . 97 MET CB C 32.699 0.10 1
970 . 97 MET CE C 16.016 0.10 1
971 . 97 MET HA H 4.289 0.05 2
972 . 97 MET HB2 H 1.497 0.05 2
973 . 97 MET HB3 H 1.665 0.05 2
974 . 97 MET HG2 H 1.938 0.05 2
975 . 97 MET H H 8.106 0.05 1
976 . 97 MET N N 118.769 0.10 1
977 . 97 MET HE H 0.887 0.05 1
978 . 98 CYS CA C 56.115 0.10 1
979 . 98 CYS CB C 29.791 0.10 1
980 . 98 CYS HA H 4.354 0.05 2
981 . 98 CYS HB2 H 2.920 0.05 2
982 . 98 CYS HB3 H 2.974 0.05 2
983 . 98 CYS H H 8.729 0.05 1
984 . 98 CYS N N 118.109 0.10 1
985 . 99 PHE C C 177.230 0.10 1
986 . 99 PHE CA C 62.852 0.10 1
987 . 99 PHE CB C 37.870 0.10 1
988 . 99 PHE CD1 C 131.495 0.10 1
989 . 99 PHE HA H 3.998 0.05 2
990 . 99 PHE HB2 H 2.883 0.05 2
991 . 99 PHE HB3 H 3.283 0.05 2
992 . 99 PHE H H 8.033 0.05 1
993 . 99 PHE N N 118.100 0.10 1
994 . 99 PHE HD1 H 7.323 0.05 3
995 . 100 SER CA C 60.234 0.10 1
996 . 100 SER CB C 62.832 0.10 1
997 . 100 SER HA H 4.353 0.05 2
998 . 100 SER HB2 H 3.884 0.05 2
999 . 100 SER HB3 H 3.963 0.05 2
1000 . 100 SER H H 8.147 0.05 1
1001 . 100 SER N N 112.229 0.10 1
1002 . 101 ASN C C 177.591 0.10 1
1003 . 101 ASN CA C 52.966 0.10 1
1004 . 101 ASN CB C 39.804 0.10 1
1005 . 101 ASN HA H 4.885 0.05 2
1006 . 101 ASN HB2 H 2.675 0.05 2
1007 . 101 ASN HB3 H 3.008 0.05 2
1008 . 101 ASN HD21 H 6.572 0.05 2
1009 . 101 ASN HD22 H 7.452 0.05 2
1010 . 101 ASN H H 7.406 0.05 1
1011 . 101 ASN N N 117.125 0.10 1
1012 . 101 ASN ND2 N 108.628 0.10 1
1013 . 102 VAL C C 175.112 0.10 1
1014 . 102 VAL CA C 64.470 0.10 1
1015 . 102 VAL CB C 30.852 0.10 1
1016 . 102 VAL CG1 C 20.692 0.10 1
1017 . 102 VAL CG2 C 19.676 0.10 1
1018 . 102 VAL HA H 3.463 0.05 2
1019 . 102 VAL HB H 1.650 0.05 2
1020 . 102 VAL H H 7.181 0.05 1
1021 . 102 VAL N N 118.674 0.10 1
1022 . 102 VAL HG1 H 0.153 0.05 2
1023 . 102 VAL HG2 H 0.291 0.05 2
1024 . 103 ASN C C 175.818 0.10 1
1025 . 103 ASN CA C 53.992 0.10 1
1026 . 103 ASN CB C 38.882 0.10 1
1027 . 103 ASN HA H 4.881 0.05 2
1028 . 103 ASN HB2 H 2.694 0.05 2
1029 . 103 ASN HB3 H 2.934 0.05 2
1030 . 103 ASN HD21 H 7.165 0.05 2
1031 . 103 ASN HD22 H 7.638 0.05 2
1032 . 103 ASN H H 8.041 0.05 1
1033 . 103 ASN N N 115.680 0.10 1
1034 . 103 ASN ND2 N 114.470 0.10 1
1035 . 104 ASP C C 175.593 0.10 1
1036 . 104 ASP CA C 55.858 0.10 1
1037 . 104 ASP CB C 41.268 0.10 1
1038 . 104 ASP HA H 4.528 0.05 2
1039 . 104 ASP HB2 H 2.754 0.05 2
1040 . 104 ASP HB3 H 2.692 0.05 2
1041 . 104 ASP H H 7.661 0.05 1
1042 . 104 ASP N N 118.846 0.10 1
1043 . 105 PHE CA C 52.147 0.10 1
1044 . 105 PHE CB C 43.404 0.10 1
1045 . 105 PHE HA H 4.883 0.05 2
1046 . 105 PHE HB2 H 1.648 0.05 2
1047 . 105 PHE HB3 H 1.541 0.05 2
1048 . 105 PHE H H 7.395 0.05 1
1049 . 105 PHE N N 120.539 0.10 1
1050 . 105 PHE HD1 H 7.207 0.05 4
1051 . 106 PRO CA C 60.549 0.10 1
1052 . 106 PRO CB C 31.186 0.10 1
1053 . 106 PRO CD C 50.467 0.10 1
1054 . 106 PRO CG C 27.674 0.10 1
1055 . 106 PRO HA H 4.877 0.05 2
1056 . 106 PRO HB2 H 1.915 0.05 2
1057 . 106 PRO HB3 H 2.345 0.05 2
1058 . 106 PRO HD2 H 3.710 0.05 2
1059 . 106 PRO HD3 H 3.942 0.05 2
1060 . 106 PRO HG2 H 2.254 0.05 2
1061 . 106 PRO HG3 H 2.107 0.05 2
1062 . 107 PRO C C 177.740 0.10 1
1063 . 107 PRO CA C 62.421 0.10 1
1064 . 107 PRO CB C 31.685 0.10 1
1065 . 107 PRO CD C 50.552 0.10 1
1066 . 107 PRO CG C 27.513 0.10 1
1067 . 107 PRO HA H 4.019 0.05 2
1068 . 107 PRO HB2 H 1.545 0.05 2
1069 . 107 PRO HB3 H 1.687 0.05 2
1070 . 107 PRO HD2 H 3.682 0.05 2
1071 . 107 PRO HD3 H 4.175 0.05 2
1072 . 107 PRO HG2 H 1.905 0.05 2
1073 . 108 SER C C 173.727 0.10 1
1074 . 108 SER CA C 62.339 0.10 1
1075 . 108 SER CB C 63.887 0.10 1
1076 . 108 SER HA H 4.268 0.05 2
1077 . 108 SER HB2 H 3.554 0.05 2
1078 . 108 SER HB3 H 3.413 0.05 2
1079 . 108 SER H H 8.863 0.05 1
1080 . 108 SER N N 119.727 0.10 1
1081 . 109 ASP C C 174.369 0.10 1
1082 . 109 ASP CA C 53.920 0.10 1
1083 . 109 ASP CB C 44.292 0.10 1
1084 . 109 ASP HA H 4.925 0.05 2
1085 . 109 ASP HB2 H 2.401 0.05 2
1086 . 109 ASP HB3 H 3.027 0.05 2
1087 . 109 ASP H H 7.815 0.05 1
1088 . 109 ASP N N 112.993 0.10 1
1089 . 110 THR C C 172.075 0.10 1
1090 . 110 THR CA C 61.612 0.10 1
1091 . 110 THR CB C 71.954 0.10 1
1092 . 110 THR CG2 C 21.749 0.10 1
1093 . 110 THR HA H 5.149 0.05 2
1094 . 110 THR HB H 4.064 0.05 2
1095 . 110 THR H H 9.147 0.05 1
1096 . 110 THR N N 116.645 0.10 1
1097 . 110 THR HG2 H 1.164 0.05 1
1098 . 111 ALA C C 174.522 0.10 1
1099 . 111 ALA CA C 51.064 0.10 1
1100 . 111 ALA CB C 23.410 0.10 1
1101 . 111 ALA HA H 4.873 0.05 2
1102 . 111 ALA H H 9.607 0.05 1
1103 . 111 ALA N N 126.804 0.10 1
1104 . 111 ALA HB H 1.572 0.05 1
1105 . 112 GLU C C 176.373 0.10 1
1106 . 112 GLU CA C 54.040 0.10 1
1107 . 112 GLU CB C 30.238 0.10 1
1108 . 112 GLU CG C 35.637 0.10 1
1109 . 112 GLU HA H 5.190 0.05 2
1110 . 112 GLU HB2 H 1.856 0.05 2
1111 . 112 GLU HB3 H 1.950 0.05 2
1112 . 112 GLU HG2 H 2.120 0.05 2
1113 . 112 GLU HG3 H 2.163 0.05 2
1114 . 112 GLU H H 8.423 0.05 1
1115 . 112 GLU N N 122.233 0.10 1
1116 . 113 LEU C C 178.194 0.10 1
1117 . 113 LEU CA C 55.154 0.10 1
1118 . 113 LEU CB C 41.724 0.10 1
1119 . 113 LEU CD1 C 24.162 0.10 1
1120 . 113 LEU CD2 C 26.699 0.10 1
1121 . 113 LEU CG C 27.981 0.10 1
1122 . 113 LEU HA H 4.608 0.05 2
1123 . 113 LEU HB2 H 1.440 0.05 2
1124 . 113 LEU HB3 H 1.953 0.05 2
1125 . 113 LEU HG H 1.776 0.05 2
1126 . 113 LEU H H 9.440 0.05 1
1127 . 113 LEU N N 125.071 0.10 1
1128 . 113 LEU HD1 H 0.931 0.05 2
1129 . 113 LEU HD2 H 0.891 0.05 2
1130 . 114 THR C C 176.167 0.10 1
1131 . 114 THR CA C 59.437 0.10 1
1132 . 114 THR CB C 72.261 0.10 1
1133 . 114 THR CG2 C 21.608 0.10 1
1134 . 114 THR HA H 4.867 0.05 2
1135 . 114 THR HB H 4.835 0.05 2
1136 . 114 THR H H 9.207 0.05 1
1137 . 114 THR N N 114.636 0.10 1
1138 . 114 THR HG2 H 1.408 0.05 1
1139 . 115 GLU CA C 60.106 0.10 1
1140 . 115 GLU CB C 28.822 0.10 1
1141 . 115 GLU CG C 36.102 0.10 1
1142 . 115 GLU HA H 4.018 0.05 2
1143 . 115 GLU HB2 H 2.155 0.05 2
1144 . 115 GLU HB3 H 2.116 0.05 2
1145 . 115 GLU HG3 H 2.351 0.05 2
1146 . 115 GLU H H 9.401 0.05 1
1147 . 115 GLU N N 120.249 0.10 1
1148 . 116 GLU C C 180.666 0.10 1
1149 . 116 GLU CA C 59.301 0.10 1
1150 . 116 GLU CB C 29.545 0.10 1
1151 . 116 GLU CG C 36.644 0.10 1
1152 . 116 GLU HA H 4.070 0.05 2
1153 . 116 GLU HB3 H 1.975 0.05 2
1154 . 116 GLU HG3 H 2.344 0.05 2
1155 . 116 GLU H H 8.141 0.05 1
1156 . 116 GLU N N 117.163 0.10 1
1157 . 117 ASN C C 178.406 0.10 1
1158 . 117 ASN CA C 57.463 0.10 1
1159 . 117 ASN CB C 39.759 0.10 1
1160 . 117 ASN HA H 5.041 0.05 2
1161 . 117 ASN HB2 H 3.281 0.05 2
1162 . 117 ASN HB3 H 3.032 0.05 2
1163 . 117 ASN HD21 H 7.359 0.05 2
1164 . 117 ASN H H 7.804 0.05 1
1165 . 117 ASN N N 118.314 0.10 1
1166 . 117 ASN ND2 N 108.587 0.10 1
1167 . 118 LEU C C 178.211 0.10 1
1168 . 118 LEU CA C 57.433 0.10 1
1169 . 118 LEU CB C 40.396 0.10 1
1170 . 118 LEU CD2 C 22.205 0.10 1
1171 . 118 LEU CG C 26.636 0.10 1
1172 . 118 LEU HA H 4.888 0.05 2
1173 . 118 LEU HB2 H 1.946 0.05 2
1174 . 118 LEU HB3 H 2.082 0.05 2
1175 . 118 LEU HG H 1.713 0.05 2
1176 . 118 LEU H H 8.030 0.05 1
1177 . 118 LEU N N 120.986 0.10 1
1178 . 118 LEU HD2 H 0.904 0.05 2
1179 . 119 LYS C C 177.440 0.10 1
1180 . 119 LYS CA C 56.604 0.10 1
1181 . 119 LYS CB C 32.841 0.10 1
1182 . 119 LYS CD C 29.130 0.10 1
1183 . 119 LYS CE C 42.340 0.10 1
1184 . 119 LYS CG C 25.696 0.10 1
1185 . 119 LYS HA H 4.444 0.05 2
1186 . 119 LYS HB2 H 1.892 0.05 2
1187 . 119 LYS HB3 H 2.188 0.05 2
1188 . 119 LYS HD2 H 1.724 0.05 2
1189 . 119 LYS HE2 H 3.007 0.05 2
1190 . 119 LYS HG2 H 1.589 0.05 2
1191 . 119 LYS HG3 H 1.706 0.05 2
1192 . 119 LYS H H 7.227 0.05 1
1193 . 119 LYS N N 114.907 0.10 1
1194 . 120 GLY C C 173.191 0.10 1
1195 . 120 GLY CA C 44.894 0.10 1
1196 . 120 GLY HA2 H 4.593 0.05 2
1197 . 120 GLY HA3 H 3.306 0.05 2
1198 . 120 GLY H H 8.383 0.05 1
1199 . 120 GLY N N 107.141 0.10 1
1200 . 121 LYS CA C 55.145 0.10 1
1201 . 121 LYS CB C 33.402 0.10 1
1202 . 121 LYS HA H 4.611 0.05 2
1203 . 121 LYS HB2 H 1.480 0.05 2
1204 . 121 LYS HB3 H 1.758 0.05 2
1205 . 121 LYS HD2 H 2.100 0.05 2
1206 . 121 LYS HD3 H 1.942 0.05 2
1207 . 121 LYS HE2 H 3.003 0.05 2
1208 . 121 LYS HG2 H 1.642 0.05 2
1209 . 121 LYS H H 7.698 0.05 1
1210 . 121 LYS N N 123.168 0.10 1
1211 . 122 PRO C C 175.295 0.10 1
1212 . 122 PRO CA C 63.183 0.10 1
1213 . 122 PRO CB C 33.026 0.10 1
1214 . 122 PRO CD C 51.838 0.10 1
1215 . 122 PRO CG C 27.600 0.10 1
1216 . 122 PRO HA H 4.670 0.05 2
1217 . 122 PRO HB2 H 1.732 0.05 2
1218 . 122 PRO HB3 H 2.102 0.05 2
1219 . 122 PRO HD2 H 3.593 0.05 2
1220 . 122 PRO HD3 H 4.288 0.05 2
1221 . 122 PRO HG2 H 1.919 0.05 2
1222 . 122 PRO HG3 H 1.980 0.05 2
1223 . 123 VAL C C 174.495 0.10 1
1224 . 123 VAL CA C 61.097 0.10 1
1225 . 123 VAL CB C 33.102 0.10 1
1226 . 123 VAL CG1 C 21.101 0.10 1
1227 . 123 VAL CG2 C 21.149 0.10 1
1228 . 123 VAL HA H 3.927 0.05 2
1229 . 123 VAL HB H 0.844 0.05 2
1230 . 123 VAL H H 8.698 0.05 1
1231 . 123 VAL N N 123.098 0.10 1
1232 . 123 VAL HG1 H 0.643 0.05 2
1233 . 123 VAL HG2 H 0.727 0.05 2
1234 . 124 VAL C C 176.703 0.10 1
1235 . 124 VAL CA C 62.739 0.10 1
1236 . 124 VAL CB C 31.898 0.10 1
1237 . 124 VAL CG2 C 21.348 0.10 1
1238 . 124 VAL HA H 3.827 0.05 2
1239 . 124 VAL HB H 1.922 0.05 2
1240 . 124 VAL H H 8.287 0.05 1
1241 . 124 VAL N N 125.846 0.10 1
1242 . 124 VAL HG2 H 0.913 0.05 2
1243 . 125 LEU C C 177.909 0.10 1
1244 . 125 LEU CA C 54.220 0.10 1
1245 . 125 LEU CB C 44.084 0.10 1
1246 . 125 LEU CD1 C 22.069 0.10 1
1247 . 125 LEU CD2 C 24.864 0.10 1
1248 . 125 LEU CG C 27.206 0.10 1
1249 . 125 LEU HA H 4.363 0.05 2
1250 . 125 LEU HB2 H 1.176 0.05 2
1251 . 125 LEU HG H 1.226 0.05 2
1252 . 125 LEU H H 7.929 0.05 1
1253 . 125 LEU N N 128.340 0.10 1
1254 . 125 LEU HD1 H 0.164 0.05 2
1255 . 125 LEU HD2 H -0.297 0.05 2
1256 . 126 LYS C C 176.623 0.10 1
1257 . 126 LYS CA C 56.054 0.10 1
1258 . 126 LYS CB C 30.623 0.10 1
1259 . 126 LYS CD C 29.439 0.10 1
1260 . 126 LYS CE C 42.482 0.10 1
1261 . 126 LYS CG C 24.898 0.10 1
1262 . 126 LYS HA H 4.352 0.05 2
1263 . 126 LYS HB2 H 1.714 0.05 2
1264 . 126 LYS HD2 H 1.708 0.05 2
1265 . 126 LYS HD3 H 1.761 0.05 2
1266 . 126 LYS HE2 H 3.089 0.05 2
1267 . 126 LYS HG2 H 1.454 0.05 2
1268 . 126 LYS HG3 H 1.684 0.05 2
1269 . 126 LYS H H 8.574 0.05 1
1270 . 126 LYS N N 121.435 0.10 1
1271 . 127 TYR C C 178.817 0.10 1
1272 . 127 TYR CA C 60.416 0.10 1
1273 . 127 TYR CB C 38.801 0.10 1
1274 . 127 TYR CD1 C 133.778 0.10 1
1275 . 127 TYR CE1 C 118.257 0.10 1
1276 . 127 TYR HA H 4.420 0.05 2
1277 . 127 TYR HB2 H 3.051 0.05 2
1278 . 127 TYR HB3 H 3.531 0.05 2
1279 . 127 TYR H H 7.800 0.05 1
1280 . 127 TYR N N 126.609 0.10 1
1281 . 127 TYR HD1 H 7.201 0.05 3
1282 . 127 TYR HE1 H 6.838 0.05 3
1283 . 128 VAL C C 176.919 0.10 1
1284 . 128 VAL CA C 64.496 0.10 1
1285 . 128 VAL CB C 31.390 0.10 1
1286 . 128 VAL CG2 C 20.818 0.10 1
1287 . 128 VAL HA H 3.937 0.05 2
1288 . 128 VAL HB H 2.144 0.05 2
1289 . 128 VAL H H 8.064 0.05 1
1290 . 128 VAL N N 118.853 0.10 1
1291 . 128 VAL HG2 H 0.909 0.05 2
1292 . 129 LYS C C 176.832 0.10 1
1293 . 129 LYS CA C 55.478 0.10 1
1294 . 129 LYS CB C 31.700 0.10 1
1295 . 129 LYS CD C 28.196 0.10 1
1296 . 129 LYS CG C 24.623 0.10 1
1297 . 129 LYS HA H 4.256 0.05 2
1298 . 129 LYS HB2 H 1.440 0.05 2
1299 . 129 LYS HD2 H 1.649 0.05 2
1300 . 129 LYS HE2 H 2.963 0.05 2
1301 . 129 LYS HE3 H 3.020 0.05 2
1302 . 129 LYS HG2 H 1.243 0.05 2
1303 . 129 LYS H H 7.973 0.05 1
1304 . 129 LYS N N 117.671 0.10 1
1305 . 130 PHE C C 174.275 0.10 1
1306 . 130 PHE CA C 56.459 0.10 1
1307 . 130 PHE CB C 40.705 0.10 1
1308 . 130 PHE CD1 C 133.270 0.10 1
1309 . 130 PHE HA H 4.849 0.05 2
1310 . 130 PHE HB2 H 3.012 0.05 2
1311 . 130 PHE HB3 H 3.536 0.05 2
1312 . 130 PHE H H 7.793 0.05 1
1313 . 130 PHE N N 118.183 0.10 1
1314 . 130 PHE HD1 H 7.150 0.05 2
1315 . 131 GLN C C 174.826 0.10 1
1316 . 131 GLN CA C 55.660 0.10 1
1317 . 131 GLN CB C 29.934 0.10 1
1318 . 131 GLN CG C 34.209 0.10 1
1319 . 131 GLN HA H 4.322 0.05 2
1320 . 131 GLN HB2 H 2.191 0.05 2
1321 . 131 GLN HB3 H 1.951 0.05 2
1322 . 131 GLN HE21 H 6.126 0.05 2
1323 . 131 GLN HE22 H 7.160 0.05 2
1324 . 131 GLN HG3 H 2.336 0.05 2
1325 . 131 GLN H H 8.201 0.05 1
1326 . 131 GLN N N 114.853 0.10 1
1327 . 131 GLN NE2 N 114.025 0.10 1
1328 . 132 ASN C C 174.693 0.10 1
1329 . 132 ASN CA C 52.607 0.10 1
1330 . 132 ASN CB C 38.448 0.10 1
1331 . 132 ASN HA H 4.574 0.05 2
1332 . 132 ASN HB3 H 2.644 0.05 2
1333 . 132 ASN HD21 H 6.816 0.05 2
1334 . 132 ASN H H 8.131 0.05 1
1335 . 132 ASN N N 119.424 0.10 1
1336 . 132 ASN ND2 N 112.502 0.10 1
1337 . 133 VAL C C 174.415 0.10 1
1338 . 133 VAL CA C 64.417 0.10 1
1339 . 133 VAL CB C 32.324 0.10 1
1340 . 133 VAL CG1 C 22.796 0.10 1
1341 . 133 VAL CG2 C 22.767 0.10 1
1342 . 133 VAL HA H 4.011 0.05 2
1343 . 133 VAL HB H 2.144 0.05 2
1344 . 133 VAL H H 8.664 0.05 1
1345 . 133 VAL N N 124.282 0.10 1
1346 . 133 VAL HG1 H 1.147 0.05 2
1347 . 133 VAL HG2 H 0.969 0.05 2
1348 . 134 ARG CA C 55.851 0.10 1
1349 . 134 ARG CB C 31.714 0.10 1
1350 . 134 ARG CD C 42.819 0.10 1
1351 . 134 ARG CG C 26.476 0.10 1
1352 . 134 ARG HA H 4.840 0.05 2
1353 . 134 ARG HB2 H 1.827 0.05 2
1354 . 134 ARG HB3 H 1.982 0.05 2
1355 . 134 ARG HD3 H 3.228 0.05 2
1356 . 134 ARG HG2 H 1.706 0.05 2
1357 . 134 ARG H H 10.245 0.05 1
1358 . 134 ARG N N 126.763 0.10 1
1359 . 135 SER C C 171.137 0.10 1
1360 . 135 SER CA C 57.447 0.10 1
1361 . 135 SER CB C 65.398 0.10 1
1362 . 135 SER HA H 5.058 0.05 2
1363 . 135 SER HB2 H 3.449 0.05 2
1364 . 135 SER H H 8.386 0.05 1
1365 . 135 SER N N 113.901 0.10 1
1366 . 136 LEU C C 174.045 0.10 1
1367 . 136 LEU CA C 53.289 0.10 1
1368 . 136 LEU CB C 48.760 0.10 1
1369 . 136 LEU CD1 C 27.321 0.10 1
1370 . 136 LEU CD2 C 23.754 0.10 1
1371 . 136 LEU CG C 27.145 0.10 1
1372 . 136 LEU HA H 5.225 0.05 2
1373 . 136 LEU HB2 H 1.378 0.05 2
1374 . 136 LEU HB3 H 1.861 0.05 2
1375 . 136 LEU HG H 1.597 0.05 2
1376 . 136 LEU H H 8.872 0.05 1
1377 . 136 LEU N N 123.607 0.10 1
1378 . 136 LEU HD1 H 0.901 0.05 2
1379 . 136 LEU HD2 H 1.094 0.05 2
1380 . 137 THR C C 173.900 0.10 1
1381 . 137 THR CA C 61.516 0.10 1
1382 . 137 THR CB C 70.301 0.10 1
1383 . 137 THR CG2 C 22.249 0.10 1
1384 . 137 THR HA H 5.716 0.05 2
1385 . 137 THR HB H 4.223 0.05 2
1386 . 137 THR H H 9.050 0.05 1
1387 . 137 THR N N 122.182 0.10 1
1388 . 137 THR HG2 H 1.085 0.05 1
1389 . 138 ILE C C 173.757 0.10 1
1390 . 138 ILE CA C 60.386 0.10 1
1391 . 138 ILE CB C 40.418 0.10 1
1392 . 138 ILE CD1 C 13.888 0.10 1
1393 . 138 ILE CG1 C 26.384 0.10 1
1394 . 138 ILE CG2 C 16.561 0.10 1
1395 . 138 ILE HA H 4.315 0.05 2
1396 . 138 ILE HB H 1.675 0.05 2
1397 . 138 ILE HG12 H 0.577 0.05 2
1398 . 138 ILE HG13 H 1.464 0.05 2
1399 . 138 ILE H H 9.920 0.05 1
1400 . 138 ILE N N 127.358 0.10 1
1401 . 138 ILE HD1 H 0.664 0.05 1
1402 . 138 ILE HG2 H 0.251 0.05 1
1403 . 139 PHE C C 174.279 0.10 1
1404 . 139 PHE CA C 52.857 0.10 1
1405 . 139 PHE CB C 41.594 0.10 1
1406 . 139 PHE CD1 C 130.443 0.10 1
1407 . 139 PHE HA H 5.827 0.05 2
1408 . 139 PHE HB2 H 3.334 0.05 2
1409 . 139 PHE HB3 H 2.959 0.05 2
1410 . 139 PHE H H 9.709 0.05 1
1411 . 139 PHE N N 128.747 0.10 1
1412 . 139 PHE HD1 H 7.295 0.05 3
1413 . 139 PHE HE1 H 7.490 0.05 3
1414 . 140 ILE C C 172.317 0.10 1
1415 . 140 ILE CA C 60.966 0.10 1
1416 . 140 ILE CB C 37.679 0.10 1
1417 . 140 ILE CD1 C 13.547 0.10 1
1418 . 140 ILE CG1 C 28.252 0.10 1
1419 . 140 ILE CG2 C 17.307 0.10 1
1420 . 140 ILE HA H 4.283 0.05 2
1421 . 140 ILE HB H 1.938 0.05 2
1422 . 140 ILE HG12 H 1.555 0.05 2
1423 . 140 ILE H H 9.110 0.05 1
1424 . 140 ILE N N 128.752 0.10 1
1425 . 140 ILE HD1 H 0.715 0.05 1
1426 . 140 ILE HG2 H 0.868 0.05 1
1427 . 141 GLU C C 174.957 0.10 1
1428 . 141 GLU CA C 56.222 0.10 1
1429 . 141 GLU CB C 32.249 0.10 1
1430 . 141 GLU CG C 36.744 0.10 1
1431 . 141 GLU HA H 3.530 0.05 2
1432 . 141 GLU HB2 H 1.044 0.05 2
1433 . 141 GLU HB3 H 1.372 0.05 2
1434 . 141 GLU HG2 H 2.032 0.05 2
1435 . 141 GLU HG3 H 2.102 0.05 2
1436 . 141 GLU H H 7.565 0.05 1
1437 . 141 GLU N N 126.744 0.10 1
1438 . 142 ALA C C 176.831 0.10 1
1439 . 142 ALA CA C 50.774 0.10 1
1440 . 142 ALA CB C 23.781 0.10 1
1441 . 142 ALA HA H 4.689 0.05 2
1442 . 142 ALA H H 7.315 0.05 1
1443 . 142 ALA N N 114.991 0.10 1
1444 . 142 ALA HB H 1.437 0.05 1
1445 . 143 ASN C C 175.790 0.10 1
1446 . 143 ASN CA C 52.166 0.10 1
1447 . 143 ASN CB C 41.301 0.10 1
1448 . 143 ASN HA H 4.997 0.05 2
1449 . 143 ASN HB2 H 2.726 0.05 2
1450 . 143 ASN HB3 H 2.932 0.05 2
1451 . 143 ASN HD21 H 7.303 0.05 2
1452 . 143 ASN HD22 H 7.694 0.05 2
1453 . 143 ASN H H 9.398 0.05 1
1454 . 143 ASN N N 120.603 0.10 1
1455 . 143 ASN ND2 N 118.854 0.10 1
1456 . 144 GLN C C 177.597 0.10 1
1457 . 144 GLN CA C 59.294 0.10 1
1458 . 144 GLN CB C 28.819 0.10 1
1459 . 144 GLN CG C 32.797 0.10 1
1460 . 144 GLN HA H 3.692 0.05 2
1461 . 144 GLN HB2 H 2.172 0.05 2
1462 . 144 GLN HB3 H 2.374 0.05 2
1463 . 144 GLN HE21 H 7.008 0.05 2
1464 . 144 GLN HE22 H 7.123 0.05 2
1465 . 144 GLN HG2 H 2.239 0.05 2
1466 . 144 GLN HG3 H 2.470 0.05 2
1467 . 144 GLN H H 8.007 0.05 1
1468 . 144 GLN N N 113.000 0.10 1
1469 . 144 GLN NE2 N 112.115 0.10 1
1470 . 145 SER C C 175.444 0.10 1
1471 . 145 SER CA C 58.201 0.10 1
1472 . 145 SER CB C 65.771 0.10 1
1473 . 145 SER HA H 4.840 0.05 2
1474 . 145 SER HB2 H 4.029 0.05 2
1475 . 145 SER HB3 H 3.905 0.05 2
1476 . 145 SER H H 8.017 0.05 1
1477 . 145 SER N N 108.920 0.10 1
1478 . 146 GLY C C 175.902 0.10 1
1479 . 146 GLY CA C 46.684 0.10 1
1480 . 146 GLY HA3 H 4.000 0.05 2
1481 . 146 GLY H H 8.194 0.05 1
1482 . 146 GLY N N 114.525 0.10 1
1483 . 147 SER C C 175.956 0.10 1
1484 . 147 SER CA C 58.059 0.10 1
1485 . 147 SER CB C 63.580 0.10 1
1486 . 147 SER HA H 4.339 0.05 2
1487 . 147 SER HB2 H 3.752 0.05 2
1488 . 147 SER HB3 H 4.019 0.05 2
1489 . 147 SER H H 8.485 0.05 1
1490 . 147 SER N N 116.889 0.10 1
1491 . 148 GLU C C 175.081 0.10 1
1492 . 148 GLU CA C 59.000 0.10 1
1493 . 148 GLU CB C 29.816 0.10 1
1494 . 148 GLU CG C 36.721 0.10 1
1495 . 148 GLU HA H 4.086 0.05 2
1496 . 148 GLU HB2 H 2.052 0.05 2
1497 . 148 GLU HB3 H 1.961 0.05 2
1498 . 148 GLU HG2 H 2.343 0.05 2
1499 . 148 GLU H H 8.950 0.05 1
1500 . 148 GLU N N 122.915 0.10 1
1501 . 149 VAL C C 174.572 0.10 1
1502 . 149 VAL CA C 59.973 0.10 1
1503 . 149 VAL CB C 35.080 0.10 1
1504 . 149 VAL CG2 C 21.122 0.10 1
1505 . 149 VAL HA H 4.023 0.05 2
1506 . 149 VAL HB H 1.875 0.05 2
1507 . 149 VAL H H 7.319 0.05 1
1508 . 149 VAL N N 113.881 0.10 1
1509 . 149 VAL HG2 H 0.829 0.05 2
1510 . 150 THR C C 173.709 0.10 1
1511 . 150 THR CA C 60.742 0.10 1
1512 . 150 THR CB C 69.240 0.10 1
1513 . 150 THR CG2 C 23.365 0.10 1
1514 . 150 THR HA H 4.997 0.05 2
1515 . 150 THR HB H 3.610 0.05 2
1516 . 150 THR H H 8.485 0.05 1
1517 . 150 THR N N 124.563 0.10 1
1518 . 150 THR HG2 H 1.088 0.05 1
1519 . 151 LYS C C 174.335 0.10 1
1520 . 151 LYS CA C 54.832 0.10 1
1521 . 151 LYS CB C 36.086 0.10 1
1522 . 151 LYS CD C 29.761 0.10 1
1523 . 151 LYS CG C 26.416 0.10 1
1524 . 151 LYS HA H 5.192 0.05 2
1525 . 151 LYS HB2 H 1.303 0.05 2
1526 . 151 LYS HB3 H 1.384 0.05 2
1527 . 151 LYS HD2 H 1.416 0.05 2
1528 . 151 LYS HE2 H 2.603 0.05 2
1529 . 151 LYS HE3 H 2.721 0.05 2
1530 . 151 LYS HG2 H 1.125 0.05 2
1531 . 151 LYS H H 7.852 0.05 1
1532 . 151 LYS N N 123.318 0.10 1
1533 . 152 VAL C C 174.589 0.10 1
1534 . 152 VAL CA C 61.098 0.10 1
1535 . 152 VAL CB C 34.953 0.10 1
1536 . 152 VAL CG1 C 21.246 0.10 1
1537 . 152 VAL CG2 C 22.665 0.10 1
1538 . 152 VAL HA H 4.263 0.05 2
1539 . 152 VAL HB H 1.949 0.05 2
1540 . 152 VAL H H 9.359 0.05 1
1541 . 152 VAL N N 120.257 0.10 1
1542 . 152 VAL HG1 H 0.639 0.05 2
1543 . 152 VAL HG2 H 0.861 0.05 2
1544 . 153 GLN C C 174.843 0.10 1
1545 . 153 GLN CA C 57.835 0.10 1
1546 . 153 GLN CB C 31.325 0.10 1
1547 . 153 GLN CG C 34.895 0.10 1
1548 . 153 GLN HA H 4.654 0.05 2
1549 . 153 GLN HB2 H 2.016 0.05 2
1550 . 153 GLN HB3 H 1.854 0.05 2
1551 . 153 GLN HE21 H 7.028 0.05 2
1552 . 153 GLN HE22 H 7.793 0.05 2
1553 . 153 GLN HG3 H 2.365 0.05 2
1554 . 153 GLN H H 9.265 0.05 1
1555 . 153 GLN N N 127.651 0.10 1
1556 . 153 GLN NE2 N 111.280 0.10 1
1557 . 154 LYS C C 174.037 0.10 1
1558 . 154 LYS CA C 55.656 0.10 1
1559 . 154 LYS CB C 37.046 0.10 1
1560 . 154 LYS CD C 30.324 0.10 1
1561 . 154 LYS CG C 26.303 0.10 1
1562 . 154 LYS HA H 5.221 0.05 2
1563 . 154 LYS HB2 H 1.284 0.05 2
1564 . 154 LYS HB3 H 1.387 0.05 2
1565 . 154 LYS HD2 H 1.456 0.05 2
1566 . 154 LYS HD3 H 1.528 0.05 2
1567 . 154 LYS HE2 H 2.710 0.05 2
1568 . 154 LYS HG2 H 1.128 0.05 2
1569 . 154 LYS H H 7.446 0.05 1
1570 . 154 LYS N N 115.060 0.10 1
1571 . 155 ILE C C 172.956 0.10 1
1572 . 155 ILE CA C 60.663 0.10 1
1573 . 155 ILE CB C 41.515 0.10 1
1574 . 155 ILE CD1 C 13.971 0.10 1
1575 . 155 ILE CG1 C 28.117 0.10 1
1576 . 155 ILE CG2 C 15.806 0.10 1
1577 . 155 ILE HA H 4.803 0.05 2
1578 . 155 ILE HB H 1.466 0.05 2
1579 . 155 ILE HG12 H 0.881 0.05 2
1580 . 155 ILE H H 8.514 0.05 1
1581 . 155 ILE N N 125.334 0.10 1
1582 . 155 ILE HD1 H 0.670 0.05 1
1583 . 155 ILE HG2 H 0.646 0.05 1
1584 . 156 ALA C C 174.128 0.10 1
1585 . 156 ALA CA C 50.533 0.10 1
1586 . 156 ALA CB C 22.710 0.10 1
1587 . 156 ALA HA H 4.785 0.05 2
1588 . 156 ALA H H 9.296 0.05 1
1589 . 156 ALA N N 129.213 0.10 1
1590 . 156 ALA HB H 1.213 0.05 1
1591 . 157 LEU C C 173.653 0.10 1
1592 . 157 LEU CA C 53.024 0.10 1
1593 . 157 LEU CB C 44.455 0.10 1
1594 . 157 LEU CD1 C 22.991 0.10 1
1595 . 157 LEU CG C 26.270 0.10 1
1596 . 157 LEU HA H 4.545 0.05 2
1597 . 157 LEU HB2 H 1.271 0.05 2
1598 . 157 LEU HB3 H 1.788 0.05 2
1599 . 157 LEU HG H 0.884 0.05 2
1600 . 157 LEU H H 9.122 0.05 1
1601 . 157 LEU N N 122.559 0.10 1
1602 . 157 LEU HD1 H 0.788 0.05 2
1603 . 158 TYR C C 176.410 0.10 1
1604 . 158 TYR CA C 54.279 0.10 1
1605 . 158 TYR CB C 39.336 0.10 1
1606 . 158 TYR CE1 C 117.651 0.10 1
1607 . 158 TYR HA H 5.934 0.05 2
1608 . 158 TYR HB2 H 2.594 0.05 2
1609 . 158 TYR HB3 H 3.348 0.05 2
1610 . 158 TYR H H 8.701 0.05 1
1611 . 158 TYR N N 119.595 0.10 1
1612 . 158 TYR HD1 H 6.859 0.05 3
1613 . 158 TYR HE1 H 6.559 0.05 3
1614 . 159 GLY C C 171.026 0.10 1
1615 . 159 GLY CA C 47.103 0.10 1
1616 . 159 GLY HA2 H 4.613 0.05 2
1617 . 159 GLY HA3 H 4.978 0.05 2
1618 . 159 GLY H H 9.239 0.05 1
1619 . 159 GLY N N 111.376 0.10 1
1620 . 160 SER C C 172.108 0.10 1
1621 . 160 SER CA C 57.216 0.10 1
1622 . 160 SER CB C 65.721 0.10 1
1623 . 160 SER HA H 4.821 0.05 2
1624 . 160 SER HB2 H 4.077 0.05 2
1625 . 160 SER HB3 H 3.890 0.05 2
1626 . 160 SER H H 9.040 0.05 1
1627 . 160 SER N N 115.847 0.10 1
1628 . 161 THR CA C 62.599 0.10 1
1629 . 161 THR CB C 70.318 0.10 1
1630 . 161 THR CG2 C 21.890 0.10 1
1631 . 161 THR HA H 4.223 0.05 2
1632 . 161 THR HB H 4.242 0.05 2
1633 . 161 THR H H 7.667 0.05 1
1634 . 161 THR N N 113.111 0.10 1
1635 . 161 THR HG2 H 0.558 0.05 1
stop_
save_