data_16413
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
C17orf37 Human 9606 Eukaryota Matazoa Homo sapiens
;
_BMRB_accession_number 16413
_BMRB_flat_file_name bmr16413.str
_Entry_type original
_Submission_date 2009-07-23
_Accession_date 2009-07-23
_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 Yang Chun-Jiun . .
2 Huang Lin-Ya . .
3 Chang Yu-Yung . .
4 Shen Tang-Long . .
5 Hsu Chun-Hua . .
6 Chang Chi-Fon . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 617
"13C chemical shifts" 457
"15N chemical shifts" 115
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-10-05 update BMRB 'Update entry citation'
2010-06-22 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Resonance assignments of human C35 (C17orf37) protein, a novel tumor biomarker.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 20556552
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Yang Chun-Jiun . .
2 Chang Chi-Fon . .
3 Huang Lin-Ya . .
4 Chang Yu-Yung . .
5 Shen Tang-Long . .
6 Hsu Chun-Hua . .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_name_full 'Biomolecular NMR assignments'
_Journal_volume 4
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 191
_Page_last 193
_Year 2010
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name C17orf37
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
C17orf37 $C17orf37
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_C17orf37
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common C17orf37
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 117
_Mol_residue_sequence
;
GSMSGEPGQTSVAPPPEEVE
PGSGVRIVVEYCEPCGFEAT
YLELASAVKEQYPGIEIESR
LGGTGAFEIEINGQLVFSKL
ENGGFPYEKDLIEAIRRASN
GETLEKITNSRPPCVIL
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 MET 4 SER 5 GLY
6 GLU 7 PRO 8 GLY 9 GLN 10 THR
11 SER 12 VAL 13 ALA 14 PRO 15 PRO
16 PRO 17 GLU 18 GLU 19 VAL 20 GLU
21 PRO 22 GLY 23 SER 24 GLY 25 VAL
26 ARG 27 ILE 28 VAL 29 VAL 30 GLU
31 TYR 32 CYS 33 GLU 34 PRO 35 CYS
36 GLY 37 PHE 38 GLU 39 ALA 40 THR
41 TYR 42 LEU 43 GLU 44 LEU 45 ALA
46 SER 47 ALA 48 VAL 49 LYS 50 GLU
51 GLN 52 TYR 53 PRO 54 GLY 55 ILE
56 GLU 57 ILE 58 GLU 59 SER 60 ARG
61 LEU 62 GLY 63 GLY 64 THR 65 GLY
66 ALA 67 PHE 68 GLU 69 ILE 70 GLU
71 ILE 72 ASN 73 GLY 74 GLN 75 LEU
76 VAL 77 PHE 78 SER 79 LYS 80 LEU
81 GLU 82 ASN 83 GLY 84 GLY 85 PHE
86 PRO 87 TYR 88 GLU 89 LYS 90 ASP
91 LEU 92 ILE 93 GLU 94 ALA 95 ILE
96 ARG 97 ARG 98 ALA 99 SER 100 ASN
101 GLY 102 GLU 103 THR 104 LEU 105 GLU
106 LYS 107 ILE 108 THR 109 ASN 110 SER
111 ARG 112 PRO 113 PRO 114 CYS 115 VAL
116 ILE 117 LEU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-30
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 2LJK "Solution Structure Of The Oncogenic-Potential Mien1 Protein" 100.00 117 100.00 100.00 2.77e-75
DBJ BAE87852 "unnamed protein product [Macaca fascicularis]" 98.29 115 97.39 98.26 1.87e-71
GB AAH06006 "Chromosome 17 open reading frame 37 [Homo sapiens]" 98.29 115 100.00 100.00 6.49e-74
GB AAO85461 "XTP4 [Homo sapiens]" 98.29 115 100.00 100.00 6.49e-74
GB AAR92035 "C35 protein [Homo sapiens]" 98.29 115 100.00 100.00 6.49e-74
GB ADQ33214 "chromosome 17 open reading frame 37 [synthetic construct]" 98.29 115 100.00 100.00 6.49e-74
GB AIC52550 "MIEN1, partial [synthetic construct]" 98.29 115 100.00 100.00 6.49e-74
REF NP_001230776 "migration and invasion enhancer 1 [Pan troglodytes]" 98.29 115 99.13 99.13 1.11e-72
REF NP_001253733 "migration and invasion enhancer 1 [Macaca mulatta]" 98.29 115 97.39 98.26 1.87e-71
REF NP_001270417 "uncharacterized protein LOC101866297 [Macaca fascicularis]" 98.29 115 97.39 98.26 1.87e-71
REF NP_115715 "migration and invasion enhancer 1 [Homo sapiens]" 98.29 115 100.00 100.00 6.49e-74
REF XP_002827689 "PREDICTED: migration and invasion enhancer 1 [Pongo abelii]" 98.29 115 97.39 97.39 1.13e-70
SP Q9BRT3 "RecName: Full=Migration and invasion enhancer 1; AltName: Full=HBV X-transactivated gene 4 protein; AltName: Full=HBV XAg-trans" 98.29 115 100.00 100.00 6.49e-74
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Details
$C17orf37 Human 9606 Eukaryota Metazoa Homo sapiens 'C17orf37 Human 9606 Eukaryota Matazoa Homo sapiens'
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
_Details
$C17orf37 'recombinant technology' 'E. coli' Escherichia coli 'BL21(DE3) pLysS' pET28 'First two residues (GS) from clone artefact'
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
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$C17orf37 . mM 0.1 0.3 '[U-13C; U-15N]'
'potassium phosphate' 20 mM . . 'natural abundance'
H2O 90 % . . 'natural abundance'
D2O 10 % . . 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 2.1pl4
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
processing
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version 3.114
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
'peak picking'
stop_
_Details .
save_
save_NMRView
_Saveframe_category software
_Name NMRView
_Version 8.0.a30
loop_
_Vendor
_Address
_Electronic_address
'Johnson, One Moon Scientific' . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details 'Equipped 5mm TCI (1H/13C/15N) with Z gradient cryogenic probe'
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_H(CCO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-15N_TOCSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY'
_Sample_label $sample_1
save_
save_3D_HCCH-COSY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY'
_Sample_label $sample_1
save_
save_3D_HCACO_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCACO'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 20 . mM
pH 6.5 . pH
pressure 1 . atm
temperature 310 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D CBCA(CO)NH'
'3D HNCO'
'3D HNCACB'
'3D HBHA(CO)NH'
'3D H(CCO)NH'
'3D HCCH-TOCSY'
'3D 1H-15N TOCSY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name C17orf37
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 3 3 MET HA H 4.443 0.004 1
2 3 3 MET C C 176.237 0.016 1
3 3 3 MET CA C 55.636 0.035 1
4 3 3 MET CB C 32.919 0.054 1
5 4 4 SER H H 8.158 0.008 1
6 4 4 SER HA H 4.396 0.001 1
7 4 4 SER HB2 H 3.824 0.001 1
8 4 4 SER HB3 H 3.824 0.001 1
9 4 4 SER C C 174.836 0.024 1
10 4 4 SER CA C 58.467 0.046 1
11 4 4 SER CB C 63.997 0.003 1
12 4 4 SER N N 116.547 0.020 1
13 5 5 GLY H H 8.251 0.004 1
14 5 5 GLY HA2 H 3.918 0.004 1
15 5 5 GLY HA3 H 3.918 0.004 1
16 5 5 GLY C C 173.781 0.009 1
17 5 5 GLY CA C 45.170 0.039 1
18 5 5 GLY N N 110.705 0.064 1
19 6 6 GLU H H 8.076 0.005 1
20 6 6 GLU HA H 4.553 0.005 1
21 6 6 GLU HB2 H 2.210 0.001 1
22 6 6 GLU HB3 H 2.210 0.007 1
23 6 6 GLU C C 174.894 0.035 1
24 6 6 GLU CA C 54.437 0.068 1
25 6 6 GLU CB C 29.763 0.035 1
26 6 6 GLU N N 121.496 0.051 1
27 7 7 PRO HA H 4.358 0.005 1
28 7 7 PRO HB2 H 2.246 0.001 2
29 7 7 PRO HB3 H 1.898 0.007 2
30 7 7 PRO HD2 H 3.663 0.004 1
31 7 7 PRO HD3 H 3.663 0.004 1
32 7 7 PRO C C 177.697 0.035 1
33 7 7 PRO CA C 63.712 0.011 1
34 7 7 PRO CB C 31.984 0.063 1
35 8 8 GLY H H 8.395 0.002 1
36 8 8 GLY HA2 H 3.904 0.002 1
37 8 8 GLY HA3 H 3.904 0.002 1
38 8 8 GLY C C 174.309 0.003 1
39 8 8 GLY CA C 45.375 0.014 1
40 8 8 GLY N N 108.997 0.011 1
41 9 9 GLN H H 8.056 0.003 1
42 9 9 GLN HA H 4.386 0.004 1
43 9 9 GLN HB2 H 1.960 0.004 2
44 9 9 GLN HB3 H 2.101 0.009 2
45 9 9 GLN HE21 H 6.742 0.003 1
46 9 9 GLN HE22 H 7.435 0.001 1
47 9 9 GLN HG2 H 2.310 0.004 1
48 9 9 GLN HG3 H 2.310 0.004 1
49 9 9 GLN C C 176.283 0.001 1
50 9 9 GLN CA C 55.956 0.001 1
51 9 9 GLN CB C 29.589 0.029 1
52 9 9 GLN CD C 180.505 0.035 1
53 9 9 GLN CG C 33.831 0.130 1
54 9 9 GLN N N 119.677 0.025 1
55 9 9 GLN NE2 N 112.176 0.012 1
56 10 10 THR H H 8.139 0.003 1
57 10 10 THR HA H 4.336 0.001 1
58 10 10 THR HB H 4.178 0.004 1
59 10 10 THR HG2 H 1.147 0.005 1
60 10 10 THR C C 174.464 0.001 1
61 10 10 THR CA C 61.969 0.033 1
62 10 10 THR CB C 69.960 0.002 1
63 10 10 THR CG2 C 21.544 0.068 1
64 10 10 THR N N 115.234 0.044 1
65 11 11 SER H H 8.226 0.003 1
66 11 11 SER HA H 4.474 0.009 1
67 11 11 SER HB2 H 3.803 0.001 1
68 11 11 SER HB3 H 3.803 0.001 1
69 11 11 SER C C 174.202 0.009 1
70 11 11 SER CA C 58.237 0.016 1
71 11 11 SER CB C 64.008 0.030 1
72 11 11 SER N N 118.386 0.051 1
73 12 12 VAL H H 8.024 0.001 1
74 12 12 VAL HA H 4.104 0.001 1
75 12 12 VAL HB H 2.019 0.001 1
76 12 12 VAL HG1 H 0.866 0.004 1
77 12 12 VAL HG2 H 0.866 0.004 1
78 12 12 VAL C C 175.391 0.014 1
79 12 12 VAL CA C 61.921 0.002 1
80 12 12 VAL CB C 32.956 0.072 1
81 12 12 VAL N N 121.497 0.010 1
82 13 13 ALA H H 8.196 0.002 1
83 13 13 ALA HA H 4.559 0.004 1
84 13 13 ALA HB H 1.285 0.001 1
85 13 13 ALA C C 174.778 0.035 1
86 13 13 ALA CA C 50.374 0.015 1
87 13 13 ALA CB C 18.322 0.023 1
88 13 13 ALA N N 129.230 0.017 1
89 16 16 PRO HA H 4.343 0.003 1
90 16 16 PRO HB2 H 1.877 0.003 2
91 16 16 PRO HB3 H 2.246 0.003 2
92 16 16 PRO HD2 H 3.609 0.003 2
93 16 16 PRO HD3 H 3.764 0.004 2
94 16 16 PRO HG2 H 1.986 0.004 1
95 16 16 PRO HG3 H 1.986 0.004 1
96 16 16 PRO C C 177.085 0.008 1
97 16 16 PRO CA C 63.290 0.093 1
98 16 16 PRO CB C 32.037 0.059 1
99 16 16 PRO CG C 27.347 0.064 1
100 17 17 GLU H H 8.385 0.002 1
101 17 17 GLU HA H 4.196 0.003 1
102 17 17 GLU HB2 H 1.983 0.004 2
103 17 17 GLU HB3 H 1.878 0.003 2
104 17 17 GLU HG2 H 2.219 0.002 1
105 17 17 GLU HG3 H 2.219 0.002 1
106 17 17 GLU C C 176.476 0.008 1
107 17 17 GLU CA C 56.817 0.008 1
108 17 17 GLU CB C 30.251 0.014 1
109 17 17 GLU CG C 36.365 0.035 1
110 17 17 GLU N N 120.108 0.029 1
111 18 18 GLU H H 8.234 0.002 1
112 18 18 GLU HA H 4.298 0.002 1
113 18 18 GLU HB2 H 1.851 0.003 2
114 18 18 GLU HB3 H 1.995 0.004 2
115 18 18 GLU HG2 H 2.185 0.001 1
116 18 18 GLU HG3 H 2.185 0.001 1
117 18 18 GLU C C 176.090 0.008 1
118 18 18 GLU CA C 56.380 0.052 1
119 18 18 GLU CB C 30.495 0.034 1
120 18 18 GLU CG C 36.262 0.061 1
121 18 18 GLU N N 121.656 0.061 1
122 19 19 VAL H H 7.964 0.003 1
123 19 19 VAL HA H 4.148 0.002 1
124 19 19 VAL HB H 2.039 0.003 1
125 19 19 VAL HG1 H 0.878 0.002 1
126 19 19 VAL HG2 H 0.878 0.002 1
127 19 19 VAL C C 176.065 0.015 1
128 19 19 VAL CA C 61.641 0.014 1
129 19 19 VAL CB C 33.163 0.052 1
130 19 19 VAL CG1 C 21.203 0.045 2
131 19 19 VAL CG2 C 20.203 0.025 2
132 19 19 VAL N N 120.534 0.029 1
133 20 20 GLU H H 8.535 0.002 1
134 20 20 GLU HA H 4.575 0.002 1
135 20 20 GLU HB2 H 1.819 0.006 1
136 20 20 GLU HB3 H 1.819 0.006 1
137 20 20 GLU HG2 H 2.210 0.002 1
138 20 20 GLU HG3 H 2.210 0.002 1
139 20 20 GLU C C 174.889 0.035 1
140 20 20 GLU CA C 54.553 0.008 1
141 20 20 GLU CB C 29.922 0.041 1
142 20 20 GLU N N 125.842 0.026 1
143 21 21 PRO HA H 4.425 0.002 1
144 21 21 PRO HB2 H 2.028 0.002 2
145 21 21 PRO HB3 H 2.433 0.001 2
146 21 21 PRO HD2 H 3.611 0.003 2
147 21 21 PRO HD3 H 4.001 0.004 2
148 21 21 PRO HG2 H 2.162 0.004 1
149 21 21 PRO HG3 H 2.162 0.004 1
150 21 21 PRO C C 177.233 0.031 1
151 21 21 PRO CA C 64.321 0.051 1
152 21 21 PRO CB C 32.406 0.046 1
153 21 21 PRO CD C 51.397 0.083 1
154 21 21 PRO CG C 27.647 0.012 1
155 22 22 GLY H H 8.950 0.005 1
156 22 22 GLY HA2 H 4.112 0.001 2
157 22 22 GLY HA3 H 3.262 0.001 2
158 22 22 GLY C C 172.815 0.002 1
159 22 22 GLY CA C 44.869 0.010 1
160 22 22 GLY N N 111.876 0.022 1
161 23 23 SER H H 7.819 0.002 1
162 23 23 SER HA H 4.178 0.003 1
163 23 23 SER HB2 H 3.866 0.007 1
164 23 23 SER HB3 H 3.866 0.007 1
165 23 23 SER C C 175.684 0.001 1
166 23 23 SER CA C 60.260 0.010 1
167 23 23 SER CB C 63.481 0.099 1
168 23 23 SER N N 114.542 0.020 1
169 24 24 GLY H H 8.723 0.003 1
170 24 24 GLY HA2 H 3.714 0.002 2
171 24 24 GLY HA3 H 4.150 0.001 2
172 24 24 GLY C C 173.754 0.015 1
173 24 24 GLY CA C 45.225 0.009 1
174 24 24 GLY N N 113.846 0.022 1
175 25 25 VAL H H 7.907 0.002 1
176 25 25 VAL HA H 4.401 0.003 1
177 25 25 VAL HB H 2.070 0.002 1
178 25 25 VAL HG1 H 0.661 0.007 1
179 25 25 VAL HG2 H 0.661 0.007 1
180 25 25 VAL C C 174.005 0.004 1
181 25 25 VAL CA C 62.104 0.008 1
182 25 25 VAL CB C 32.206 0.048 1
183 25 25 VAL CG1 C 22.032 0.017 1
184 25 25 VAL CG2 C 22.032 0.017 1
185 25 25 VAL N N 121.485 0.022 1
186 26 26 ARG H H 8.391 0.002 1
187 26 26 ARG HA H 5.191 0.004 1
188 26 26 ARG HB2 H 1.648 0.002 2
189 26 26 ARG HB3 H 1.749 0.002 2
190 26 26 ARG HD2 H 3.078 0.003 1
191 26 26 ARG HD3 H 3.078 0.003 1
192 26 26 ARG HE H 7.117 0.004 1
193 26 26 ARG HG2 H 1.327 0.014 2
194 26 26 ARG HG3 H 1.439 0.002 2
195 26 26 ARG C C 174.974 0.002 1
196 26 26 ARG CA C 54.514 0.021 1
197 26 26 ARG CB C 32.634 0.051 1
198 26 26 ARG CD C 43.365 0.044 1
199 26 26 ARG CG C 27.757 0.111 1
200 26 26 ARG N N 127.799 0.021 1
201 26 26 ARG NE N 84.887 0.003 1
202 27 27 ILE H H 9.097 0.005 1
203 27 27 ILE HA H 5.165 0.004 1
204 27 27 ILE HB H 1.704 0.003 1
205 27 27 ILE HD1 H 0.690 0.003 1
206 27 27 ILE HG12 H 0.939 0.002 1
207 27 27 ILE HG13 H 0.939 0.002 1
208 27 27 ILE HG2 H 0.803 0.002 1
209 27 27 ILE C C 174.329 0.013 1
210 27 27 ILE CA C 59.141 0.038 1
211 27 27 ILE CB C 40.724 0.069 1
212 27 27 ILE CD1 C 14.743 0.047 1
213 27 27 ILE CG1 C 28.215 0.186 1
214 27 27 ILE CG2 C 17.361 0.009 1
215 27 27 ILE N N 125.848 0.041 1
216 28 28 VAL H H 8.867 0.004 1
217 28 28 VAL HA H 4.849 0.002 1
218 28 28 VAL HB H 1.787 0.002 1
219 28 28 VAL HG1 H 0.604 0.002 2
220 28 28 VAL HG2 H 0.753 0.001 2
221 28 28 VAL C C 175.343 0.007 1
222 28 28 VAL CA C 60.513 0.067 1
223 28 28 VAL CB C 34.725 0.073 1
224 28 28 VAL CG1 C 20.807 0.028 2
225 28 28 VAL CG2 C 21.169 0.028 2
226 28 28 VAL N N 126.805 0.052 1
227 29 29 VAL H H 8.522 0.003 1
228 29 29 VAL HA H 4.745 0.002 1
229 29 29 VAL HB H 1.900 0.001 1
230 29 29 VAL HG1 H 0.245 0.005 2
231 29 29 VAL HG2 H 0.857 0.004 2
232 29 29 VAL C C 173.878 0.006 1
233 29 29 VAL CA C 60.418 0.010 1
234 29 29 VAL CB C 32.393 0.078 1
235 29 29 VAL CG1 C 20.692 0.009 2
236 29 29 VAL CG2 C 20.463 0.005 2
237 29 29 VAL N N 126.334 0.076 1
238 30 30 GLU H H 9.226 0.004 1
239 30 30 GLU HA H 5.199 0.003 1
240 30 30 GLU HB2 H 1.632 0.003 2
241 30 30 GLU HB3 H 1.918 0.001 2
242 30 30 GLU HG2 H 1.632 0.001 1
243 30 30 GLU HG3 H 1.632 0.001 1
244 30 30 GLU C C 175.650 0.037 1
245 30 30 GLU CA C 53.304 0.057 1
246 30 30 GLU CB C 31.961 0.060 1
247 30 30 GLU CG C 36.985 0.031 1
248 30 30 GLU N N 129.824 0.014 1
249 31 31 TYR H H 8.169 0.004 1
250 31 31 TYR HA H 5.723 0.004 1
251 31 31 TYR HB2 H 2.476 0.001 2
252 31 31 TYR HB3 H 3.349 0.004 2
253 31 31 TYR HD1 H 6.494 0.008 3
254 31 31 TYR HD2 H 6.494 0.008 3
255 31 31 TYR HE1 H 6.221 0.012 3
256 31 31 TYR HE2 H 6.221 0.012 3
257 31 31 TYR C C 174.325 0.010 1
258 31 31 TYR CA C 54.399 0.059 1
259 31 31 TYR CB C 43.956 0.049 1
260 31 31 TYR CD1 C 132.408 0.017 3
261 31 31 TYR CD2 C 132.408 0.017 3
262 31 31 TYR CE1 C 117.404 0.032 3
263 31 31 TYR CE2 C 117.404 0.032 3
264 31 31 TYR N N 119.822 0.055 1
265 32 32 CYS H H 8.041 0.002 1
266 32 32 CYS HA H 4.337 0.003 1
267 32 32 CYS HB2 H 2.775 0.002 2
268 32 32 CYS HB3 H 4.248 0.003 2
269 32 32 CYS C C 173.446 0.010 1
270 32 32 CYS CA C 53.423 0.052 1
271 32 32 CYS CB C 40.666 0.094 1
272 32 32 CYS N N 117.776 0.036 1
273 33 33 GLU H H 9.686 0.002 1
274 33 33 GLU HA H 4.588 0.003 1
275 33 33 GLU HB2 H 2.345 0.008 1
276 33 33 GLU HB3 H 2.345 0.008 1
277 33 33 GLU HG2 H 2.494 0.009 1
278 33 33 GLU HG3 H 2.494 0.009 1
279 33 33 GLU C C 177.772 0.031 1
280 33 33 GLU CA C 61.229 0.038 1
281 33 33 GLU CB C 27.579 0.012 1
282 33 33 GLU N N 135.202 0.028 1
283 34 34 PRO HA H 4.457 0.002 1
284 34 34 PRO HB2 H 1.841 0.002 2
285 34 34 PRO HB3 H 2.331 0.002 2
286 34 34 PRO C C 176.544 0.001 1
287 34 34 PRO CA C 65.844 0.052 1
288 34 34 PRO CB C 30.670 0.045 1
289 35 35 CYS H H 7.448 0.004 1
290 35 35 CYS HA H 4.447 0.005 1
291 35 35 CYS HB2 H 1.880 0.007 2
292 35 35 CYS HB3 H 2.482 0.008 2
293 35 35 CYS C C 174.209 0.001 1
294 35 35 CYS CA C 59.899 0.040 1
295 35 35 CYS CB C 34.416 0.004 1
296 35 35 CYS N N 110.510 0.042 1
297 36 36 GLY H H 8.103 0.002 1
298 36 36 GLY HA2 H 4.226 0.001 2
299 36 36 GLY HA3 H 4.335 0.002 2
300 36 36 GLY C C 177.188 0.002 1
301 36 36 GLY CA C 45.978 0.011 1
302 36 36 GLY N N 104.819 0.020 1
303 37 37 PHE H H 6.988 0.001 1
304 37 37 PHE HA H 5.080 0.001 1
305 37 37 PHE HB2 H 3.647 0.007 2
306 37 37 PHE HB3 H 3.932 0.015 2
307 37 37 PHE HD1 H 7.644 0.002 3
308 37 37 PHE HD2 H 7.644 0.002 3
309 37 37 PHE HE1 H 7.424 0.005 3
310 37 37 PHE HE2 H 7.424 0.005 3
311 37 37 PHE C C 176.179 0.021 1
312 37 37 PHE CA C 54.863 0.009 1
313 37 37 PHE CB C 38.022 0.021 1
314 37 37 PHE CD1 C 131.184 0.007 3
315 37 37 PHE CD2 C 131.184 0.007 3
316 37 37 PHE N N 115.697 0.003 1
317 38 38 GLU H H 9.529 0.006 1
318 38 38 GLU HA H 3.365 0.004 1
319 38 38 GLU HB2 H 2.102 0.005 2
320 38 38 GLU HB3 H 2.427 0.001 2
321 38 38 GLU HG2 H 2.193 0.006 2
322 38 38 GLU HG3 H 2.303 0.003 2
323 38 38 GLU C C 177.775 0.007 1
324 38 38 GLU CA C 60.850 0.040 1
325 38 38 GLU CB C 29.994 0.053 1
326 38 38 GLU CG C 36.809 0.111 1
327 38 38 GLU N N 124.587 0.005 1
328 39 39 ALA H H 8.175 0.003 1
329 39 39 ALA HA H 3.967 0.005 1
330 39 39 ALA HB H 1.435 0.003 1
331 39 39 ALA C C 179.972 0.009 1
332 39 39 ALA CA C 55.877 0.011 1
333 39 39 ALA CB C 17.984 0.011 1
334 39 39 ALA N N 118.850 0.027 1
335 40 40 THR H H 7.219 0.001 1
336 40 40 THR HA H 3.675 0.010 1
337 40 40 THR HB H 3.501 0.007 1
338 40 40 THR HG2 H 0.131 0.003 1
339 40 40 THR C C 176.570 0.009 1
340 40 40 THR CA C 66.476 0.074 1
341 40 40 THR CB C 68.128 0.020 1
342 40 40 THR CG2 C 21.016 0.074 1
343 40 40 THR N N 115.534 0.004 1
344 41 41 TYR H H 7.709 0.002 1
345 41 41 TYR HA H 4.177 0.003 1
346 41 41 TYR HB2 H 2.548 0.003 2
347 41 41 TYR HB3 H 2.794 0.004 2
348 41 41 TYR HD1 H 6.712 0.014 3
349 41 41 TYR HD2 H 6.712 0.014 3
350 41 41 TYR HE1 H 6.557 0.008 3
351 41 41 TYR HE2 H 6.557 0.008 3
352 41 41 TYR C C 175.525 0.011 1
353 41 41 TYR CA C 61.789 0.041 1
354 41 41 TYR CB C 37.147 0.084 1
355 41 41 TYR CD1 C 133.076 0.038 3
356 41 41 TYR CD2 C 133.076 0.038 3
357 41 41 TYR CE1 C 117.713 0.026 3
358 41 41 TYR CE2 C 117.713 0.026 3
359 41 41 TYR N N 122.478 0.031 1
360 42 42 LEU H H 8.532 0.003 1
361 42 42 LEU HA H 3.410 0.002 1
362 42 42 LEU HB2 H 1.301 0.006 2
363 42 42 LEU HB3 H 1.736 0.011 2
364 42 42 LEU HD1 H 0.841 0.003 2
365 42 42 LEU HD2 H 0.766 0.008 2
366 42 42 LEU HG H 1.767 0.003 1
367 42 42 LEU C C 180.475 0.015 1
368 42 42 LEU CA C 57.970 0.028 1
369 42 42 LEU CB C 41.440 0.023 1
370 42 42 LEU CD1 C 25.593 0.049 2
371 42 42 LEU CD2 C 22.334 0.086 2
372 42 42 LEU CG C 26.805 0.074 1
373 42 42 LEU N N 119.154 0.068 1
374 43 43 GLU H H 7.761 0.002 1
375 43 43 GLU HA H 3.894 0.005 1
376 43 43 GLU HB2 H 2.019 0.002 2
377 43 43 GLU HB3 H 1.957 0.001 2
378 43 43 GLU HG2 H 2.137 0.004 2
379 43 43 GLU HG3 H 2.280 0.004 2
380 43 43 GLU C C 179.277 0.006 1
381 43 43 GLU CA C 59.313 0.151 1
382 43 43 GLU CB C 29.902 0.012 1
383 43 43 GLU CG C 36.288 0.093 1
384 43 43 GLU N N 120.160 0.023 1
385 44 44 LEU H H 7.731 0.003 1
386 44 44 LEU HA H 4.017 0.002 1
387 44 44 LEU HB2 H 1.517 0.010 2
388 44 44 LEU HB3 H 1.786 0.002 2
389 44 44 LEU HD1 H 0.747 0.001 2
390 44 44 LEU HD2 H 0.774 0.001 2
391 44 44 LEU HG H 1.616 0.001 1
392 44 44 LEU C C 178.174 0.026 1
393 44 44 LEU CA C 58.011 0.002 1
394 44 44 LEU CB C 42.148 0.062 1
395 44 44 LEU CD1 C 24.116 0.002 2
396 44 44 LEU CD2 C 25.158 0.080 2
397 44 44 LEU N N 121.639 0.026 1
398 45 45 ALA H H 8.846 0.004 1
399 45 45 ALA HA H 3.631 0.002 1
400 45 45 ALA HB H 0.972 0.001 1
401 45 45 ALA C C 179.487 0.004 1
402 45 45 ALA CA C 55.460 0.001 1
403 45 45 ALA CB C 17.449 0.003 1
404 45 45 ALA N N 120.697 0.048 1
405 46 46 SER H H 7.741 0.005 1
406 46 46 SER HA H 3.993 0.004 1
407 46 46 SER HB2 H 3.853 0.005 1
408 46 46 SER HB3 H 3.853 0.005 1
409 46 46 SER C C 176.676 0.007 1
410 46 46 SER CA C 61.711 0.019 1
411 46 46 SER CB C 63.005 0.128 1
412 46 46 SER N N 111.330 0.002 1
413 47 47 ALA H H 7.441 0.002 1
414 47 47 ALA HA H 4.120 0.001 1
415 47 47 ALA HB H 1.422 0.005 1
416 47 47 ALA C C 181.108 0.001 1
417 47 47 ALA CA C 55.104 0.007 1
418 47 47 ALA CB C 18.203 0.002 1
419 47 47 ALA N N 123.478 0.018 1
420 48 48 VAL H H 8.318 0.006 1
421 48 48 VAL HA H 3.651 0.001 1
422 48 48 VAL HB H 2.073 0.007 1
423 48 48 VAL HG1 H 0.901 0.002 1
424 48 48 VAL HG2 H 0.901 0.002 1
425 48 48 VAL C C 177.739 0.001 1
426 48 48 VAL CA C 66.460 0.010 1
427 48 48 VAL CB C 31.402 0.005 1
428 48 48 VAL N N 115.212 0.019 1
429 49 49 LYS H H 8.107 0.001 1
430 49 49 LYS HA H 3.890 0.003 1
431 49 49 LYS HB2 H 1.783 0.003 1
432 49 49 LYS HB3 H 1.783 0.003 1
433 49 49 LYS HD2 H 1.622 0.004 1
434 49 49 LYS HD3 H 1.622 0.004 1
435 49 49 LYS HE2 H 2.914 0.002 1
436 49 49 LYS HE3 H 2.914 0.002 1
437 49 49 LYS HG2 H 1.398 0.005 1
438 49 49 LYS HG3 H 1.398 0.005 1
439 49 49 LYS C C 177.901 0.019 1
440 49 49 LYS CA C 58.528 0.027 1
441 49 49 LYS CB C 32.512 0.068 1
442 49 49 LYS CD C 29.412 0.089 1
443 49 49 LYS CE C 42.090 0.087 1
444 49 49 LYS CG C 25.607 0.166 1
445 49 49 LYS N N 119.951 0.038 1
446 50 50 GLU H H 7.378 0.003 1
447 50 50 GLU HA H 3.887 0.003 1
448 50 50 GLU HB2 H 1.972 0.009 2
449 50 50 GLU HB3 H 2.070 0.002 2
450 50 50 GLU HG2 H 2.258 0.005 1
451 50 50 GLU HG3 H 2.258 0.005 1
452 50 50 GLU C C 177.772 0.008 1
453 50 50 GLU CA C 58.976 0.017 1
454 50 50 GLU CB C 29.682 0.032 1
455 50 50 GLU CG C 36.272 0.087 1
456 50 50 GLU N N 116.476 0.061 1
457 51 51 GLN H H 6.816 0.004 1
458 51 51 GLN HA H 3.985 0.002 1
459 51 51 GLN HB2 H 1.694 0.001 1
460 51 51 GLN HB3 H 1.694 0.001 1
461 51 51 GLN HE21 H 6.686 0.002 1
462 51 51 GLN HE22 H 7.376 0.002 1
463 51 51 GLN HG2 H 2.018 0.003 2
464 51 51 GLN HG3 H 2.104 0.002 2
465 51 51 GLN C C 175.304 0.003 1
466 51 51 GLN CA C 56.729 0.029 1
467 51 51 GLN CB C 29.997 0.044 1
468 51 51 GLN CD C 179.026 0.007 1
469 51 51 GLN CG C 33.851 0.003 1
470 51 51 GLN N N 114.108 0.003 1
471 51 51 GLN NE2 N 111.972 0.044 1
472 52 52 TYR H H 8.164 0.003 1
473 52 52 TYR HA H 4.668 0.005 1
474 52 52 TYR HB2 H 2.754 0.003 1
475 52 52 TYR HB3 H 2.754 0.003 1
476 52 52 TYR HD1 H 6.862 0.003 3
477 52 52 TYR HD2 H 6.862 0.003 3
478 52 52 TYR HE1 H 6.703 0.013 3
479 52 52 TYR HE2 H 6.703 0.013 3
480 52 52 TYR C C 172.604 0.043 1
481 52 52 TYR CA C 55.463 0.040 1
482 52 52 TYR CB C 39.364 0.044 1
483 52 52 TYR CD1 C 133.214 0.012 3
484 52 52 TYR CD2 C 133.214 0.012 3
485 52 52 TYR CE1 C 118.041 0.072 3
486 52 52 TYR CE2 C 118.041 0.072 3
487 52 52 TYR N N 116.618 0.057 1
488 53 53 PRO HA H 4.496 0.004 1
489 53 53 PRO HB2 H 1.883 0.002 2
490 53 53 PRO HB3 H 2.379 0.002 2
491 53 53 PRO HD2 H 3.255 0.003 2
492 53 53 PRO HD3 H 3.472 0.004 2
493 53 53 PRO HG2 H 1.896 0.004 2
494 53 53 PRO HG3 H 1.987 0.002 2
495 53 53 PRO C C 178.299 0.002 1
496 53 53 PRO CA C 64.843 0.031 1
497 53 53 PRO CB C 31.868 0.045 1
498 53 53 PRO CD C 50.186 0.082 1
499 54 54 GLY H H 8.527 0.001 1
500 54 54 GLY HA2 H 3.343 0.003 2
501 54 54 GLY HA3 H 4.123 0.002 2
502 54 54 GLY C C 174.108 0.020 1
503 54 54 GLY CA C 45.116 0.002 1
504 54 54 GLY N N 105.018 0.014 1
505 55 55 ILE H H 7.548 0.001 1
506 55 55 ILE HA H 4.223 0.003 1
507 55 55 ILE HB H 1.816 0.003 1
508 55 55 ILE HD1 H 0.638 0.005 1
509 55 55 ILE HG12 H 1.221 0.004 1
510 55 55 ILE HG13 H 1.221 0.004 1
511 55 55 ILE HG2 H 0.893 0.003 1
512 55 55 ILE C C 173.933 0.045 1
513 55 55 ILE CA C 61.731 0.027 1
514 55 55 ILE CB C 40.039 0.079 1
515 55 55 ILE CD1 C 16.268 0.051 1
516 55 55 ILE CG1 C 28.600 0.105 1
517 55 55 ILE CG2 C 18.176 0.013 1
518 55 55 ILE N N 120.143 0.010 1
519 56 56 GLU H H 7.746 0.006 1
520 56 56 GLU HA H 4.673 0.003 1
521 56 56 GLU HB2 H 1.915 0.002 2
522 56 56 GLU HB3 H 2.033 0.009 2
523 56 56 GLU HG2 H 2.267 0.007 1
524 56 56 GLU HG3 H 2.267 0.007 1
525 56 56 GLU C C 174.612 0.005 1
526 56 56 GLU CA C 55.361 0.003 1
527 56 56 GLU CB C 31.677 0.004 1
528 56 56 GLU CG C 36.178 0.056 1
529 56 56 GLU N N 123.914 0.006 1
530 57 57 ILE H H 8.415 0.004 1
531 57 57 ILE HA H 5.236 0.003 1
532 57 57 ILE HB H 1.561 0.005 1
533 57 57 ILE HD1 H 0.734 0.004 1
534 57 57 ILE HG12 H 1.063 0.004 1
535 57 57 ILE HG13 H 1.063 0.004 1
536 57 57 ILE HG2 H 0.895 0.003 1
537 57 57 ILE C C 174.005 0.003 1
538 57 57 ILE CA C 59.752 0.081 1
539 57 57 ILE CB C 40.902 0.048 1
540 57 57 ILE CD1 C 14.582 0.096 1
541 57 57 ILE CG1 C 28.080 0.100 1
542 57 57 ILE CG2 C 16.105 0.130 1
543 57 57 ILE N N 123.754 0.031 1
544 58 58 GLU H H 8.774 0.005 1
545 58 58 GLU HA H 4.782 0.003 1
546 58 58 GLU HB2 H 1.953 0.003 2
547 58 58 GLU HB3 H 2.094 0.002 2
548 58 58 GLU HG2 H 2.184 0.005 1
549 58 58 GLU HG3 H 2.184 0.005 1
550 58 58 GLU C C 173.764 0.046 1
551 58 58 GLU CA C 54.463 0.005 1
552 58 58 GLU CB C 34.103 0.005 1
553 58 58 GLU CG C 36.400 0.028 1
554 58 58 GLU N N 127.177 0.006 1
555 59 59 SER H H 8.280 0.003 1
556 59 59 SER HA H 5.402 0.002 1
557 59 59 SER HB2 H 3.168 0.002 2
558 59 59 SER HB3 H 3.612 0.003 2
559 59 59 SER C C 174.098 0.008 1
560 59 59 SER CA C 55.776 0.055 1
561 59 59 SER CB C 67.382 0.014 1
562 59 59 SER N N 113.497 0.017 1
563 60 60 ARG H H 8.524 0.003 1
564 60 60 ARG HA H 4.420 0.003 1
565 60 60 ARG HB2 H 1.447 0.009 2
566 60 60 ARG HB3 H 1.493 0.002 2
567 60 60 ARG HD2 H 2.990 0.001 2
568 60 60 ARG HD3 H 3.081 0.001 2
569 60 60 ARG HE H 7.311 0.003 1
570 60 60 ARG HG2 H 1.299 0.005 1
571 60 60 ARG HG3 H 1.299 0.005 1
572 60 60 ARG C C 173.658 0.006 1
573 60 60 ARG CA C 54.533 0.017 1
574 60 60 ARG CB C 34.349 0.041 1
575 60 60 ARG CD C 43.671 0.063 1
576 60 60 ARG CG C 27.378 0.096 1
577 60 60 ARG N N 119.418 0.033 1
578 60 60 ARG NE N 84.638 0.004 1
579 61 61 LEU H H 8.180 0.004 1
580 61 61 LEU HA H 4.324 0.004 1
581 61 61 LEU HB2 H 1.540 0.004 1
582 61 61 LEU HB3 H 1.540 0.004 1
583 61 61 LEU HD1 H 0.808 0.011 2
584 61 61 LEU HD2 H 0.536 0.003 2
585 61 61 LEU HG H 1.503 0.002 1
586 61 61 LEU C C 177.910 0.011 1
587 61 61 LEU CA C 55.189 0.031 1
588 61 61 LEU CB C 40.621 0.053 1
589 61 61 LEU CD1 C 25.001 0.089 2
590 61 61 LEU CD2 C 22.807 0.076 2
591 61 61 LEU CG C 26.887 0.055 1
592 61 61 LEU N N 122.652 0.050 1
593 62 62 GLY H H 7.812 0.002 1
594 62 62 GLY HA2 H 3.117 0.001 2
595 62 62 GLY HA3 H 4.502 0.004 2
596 62 62 GLY C C 173.791 0.014 1
597 62 62 GLY CA C 43.438 0.030 1
598 62 62 GLY N N 111.017 0.054 1
599 63 63 GLY H H 8.541 0.003 1
600 63 63 GLY HA2 H 3.707 0.001 2
601 63 63 GLY HA3 H 4.206 0.003 2
602 63 63 GLY C C 172.732 0.012 1
603 63 63 GLY CA C 43.826 0.045 1
604 63 63 GLY N N 106.478 0.017 1
605 64 64 THR H H 8.058 0.001 1
606 64 64 THR HA H 3.869 0.002 1
607 64 64 THR HB H 3.870 0.001 1
608 64 64 THR HG2 H 1.141 0.002 1
609 64 64 THR C C 176.009 0.018 1
610 64 64 THR CA C 65.588 0.001 1
611 64 64 THR CB C 68.901 0.007 1
612 64 64 THR CG2 C 21.925 0.049 1
613 64 64 THR N N 113.072 0.013 1
614 65 65 GLY H H 7.073 0.001 1
615 65 65 GLY HA2 H 3.821 0.009 2
616 65 65 GLY HA3 H 4.339 0.002 2
617 65 65 GLY C C 173.826 0.034 1
618 65 65 GLY CA C 45.869 0.001 1
619 65 65 GLY N N 113.009 0.061 1
620 66 66 ALA H H 7.964 0.002 1
621 66 66 ALA HA H 4.093 0.003 1
622 66 66 ALA HB H 1.371 0.002 1
623 66 66 ALA C C 177.972 0.001 1
624 66 66 ALA CA C 54.244 0.001 1
625 66 66 ALA CB C 19.835 0.014 1
626 66 66 ALA N N 123.318 0.009 1
627 67 67 PHE H H 10.114 0.006 1
628 67 67 PHE HA H 4.825 0.006 1
629 67 67 PHE HB2 H 2.988 0.003 2
630 67 67 PHE HB3 H 3.582 0.003 2
631 67 67 PHE HD1 H 7.371 0.006 3
632 67 67 PHE HD2 H 7.371 0.006 3
633 67 67 PHE HE1 H 6.992 0.009 3
634 67 67 PHE HE2 H 6.992 0.009 3
635 67 67 PHE HZ H 6.768 0.010 1
636 67 67 PHE C C 172.533 0.017 1
637 67 67 PHE CA C 61.928 0.017 1
638 67 67 PHE CB C 39.798 0.031 1
639 67 67 PHE CD1 C 132.046 0.004 3
640 67 67 PHE CD2 C 132.046 0.004 3
641 67 67 PHE CE1 C 130.560 0.022 3
642 67 67 PHE CE2 C 130.560 0.022 3
643 67 67 PHE CZ C 128.512 0.062 1
644 67 67 PHE N N 125.736 0.024 1
645 68 68 GLU H H 9.308 0.004 1
646 68 68 GLU HA H 5.453 0.001 1
647 68 68 GLU HB2 H 2.191 0.004 2
648 68 68 GLU HB3 H 2.383 0.006 2
649 68 68 GLU HG2 H 2.378 0.004 1
650 68 68 GLU HG3 H 2.378 0.004 1
651 68 68 GLU C C 176.553 0.006 1
652 68 68 GLU CA C 53.473 0.013 1
653 68 68 GLU CB C 33.128 0.001 1
654 68 68 GLU CG C 35.618 0.068 1
655 68 68 GLU N N 126.020 0.017 1
656 69 69 ILE H H 9.611 0.006 1
657 69 69 ILE HA H 5.049 0.004 1
658 69 69 ILE HB H 1.951 0.003 1
659 69 69 ILE HD1 H 0.797 0.006 1
660 69 69 ILE HG12 H 1.101 0.010 2
661 69 69 ILE HG13 H 1.714 0.003 2
662 69 69 ILE HG2 H 0.748 0.003 1
663 69 69 ILE C C 174.463 0.017 1
664 69 69 ILE CA C 60.772 0.090 1
665 69 69 ILE CB C 40.188 0.017 1
666 69 69 ILE CD1 C 14.541 0.060 1
667 69 69 ILE CG1 C 27.322 0.059 1
668 69 69 ILE CG2 C 17.375 0.013 1
669 69 69 ILE N N 121.885 0.022 1
670 70 70 GLU H H 9.159 0.003 1
671 70 70 GLU HA H 5.307 0.001 1
672 70 70 GLU HB2 H 1.627 0.003 2
673 70 70 GLU HB3 H 1.863 0.004 2
674 70 70 GLU HG2 H 2.041 0.005 1
675 70 70 GLU HG3 H 2.041 0.005 1
676 70 70 GLU C C 176.216 0.004 1
677 70 70 GLU CA C 53.878 0.001 1
678 70 70 GLU CB C 33.444 0.005 1
679 70 70 GLU CG C 36.522 0.070 1
680 70 70 GLU N N 128.891 0.059 1
681 71 71 ILE H H 8.893 0.004 1
682 71 71 ILE HA H 4.754 0.004 1
683 71 71 ILE HB H 1.556 0.003 1
684 71 71 ILE HD1 H 0.649 0.004 1
685 71 71 ILE HG12 H 0.806 0.001 1
686 71 71 ILE HG13 H 0.806 0.001 1
687 71 71 ILE HG2 H 0.573 0.002 1
688 71 71 ILE C C 175.318 0.011 1
689 71 71 ILE CA C 60.468 0.103 1
690 71 71 ILE CB C 39.675 0.081 1
691 71 71 ILE CD1 C 14.359 0.068 1
692 71 71 ILE CG1 C 27.257 0.154 1
693 71 71 ILE CG2 C 17.057 0.027 1
694 71 71 ILE N N 122.271 0.003 1
695 72 72 ASN H H 9.609 0.001 1
696 72 72 ASN HA H 4.400 0.004 1
697 72 72 ASN HB2 H 2.786 0.003 2
698 72 72 ASN HB3 H 3.168 0.002 2
699 72 72 ASN HD21 H 6.608 0.001 1
700 72 72 ASN HD22 H 7.681 0.001 1
701 72 72 ASN C C 175.718 0.005 1
702 72 72 ASN CA C 53.985 0.049 1
703 72 72 ASN CB C 36.472 0.027 1
704 72 72 ASN CG C 177.570 0.044 1
705 72 72 ASN N N 128.033 0.003 1
706 72 72 ASN ND2 N 108.470 0.189 1
707 73 73 GLY H H 8.784 0.001 1
708 73 73 GLY HA2 H 3.612 0.003 2
709 73 73 GLY HA3 H 4.078 0.001 2
710 73 73 GLY C C 173.498 0.001 1
711 73 73 GLY CA C 45.439 0.014 1
712 73 73 GLY N N 102.637 0.014 1
713 74 74 GLN H H 7.870 0.003 1
714 74 74 GLN HA H 4.519 0.005 1
715 74 74 GLN HB2 H 1.986 0.003 1
716 74 74 GLN HB3 H 1.986 0.003 1
717 74 74 GLN HE21 H 6.822 0.003 1
718 74 74 GLN HE22 H 7.355 0.001 1
719 74 74 GLN HG2 H 2.150 0.009 2
720 74 74 GLN HG3 H 2.244 0.009 2
721 74 74 GLN C C 174.992 0.003 1
722 74 74 GLN CA C 54.068 0.018 1
723 74 74 GLN CB C 30.787 0.005 1
724 74 74 GLN CD C 180.165 0.030 1
725 74 74 GLN CG C 33.558 0.044 1
726 74 74 GLN N N 120.384 0.012 1
727 74 74 GLN NE2 N 111.180 0.031 1
728 75 75 LEU H H 8.770 0.002 1
729 75 75 LEU HA H 4.399 0.003 1
730 75 75 LEU HB2 H 1.518 0.004 2
731 75 75 LEU HB3 H 1.845 0.005 2
732 75 75 LEU HD1 H 0.882 0.001 2
733 75 75 LEU HD2 H 0.926 0.001 2
734 75 75 LEU HG H 1.293 0.001 1
735 75 75 LEU C C 176.362 0.017 1
736 75 75 LEU CA C 56.328 0.002 1
737 75 75 LEU CB C 41.416 0.006 1
738 75 75 LEU CD1 C 26.056 0.059 2
739 75 75 LEU CD2 C 23.428 0.033 2
740 75 75 LEU N N 128.561 0.005 1
741 76 76 VAL H H 8.844 0.002 1
742 76 76 VAL HA H 4.539 0.001 1
743 76 76 VAL HB H 2.219 0.004 1
744 76 76 VAL HG1 H 0.872 0.001 1
745 76 76 VAL HG2 H 0.872 0.001 1
746 76 76 VAL C C 174.145 0.002 1
747 76 76 VAL CA C 61.616 0.009 1
748 76 76 VAL CB C 33.932 0.001 1
749 76 76 VAL CG1 C 19.903 0.028 2
750 76 76 VAL CG2 C 21.481 0.035 2
751 76 76 VAL N N 122.199 0.050 1
752 77 77 PHE H H 7.658 0.001 1
753 77 77 PHE HA H 4.688 0.001 1
754 77 77 PHE HB2 H 2.883 0.004 2
755 77 77 PHE HB3 H 2.977 0.002 2
756 77 77 PHE HD1 H 7.374 0.006 3
757 77 77 PHE HD2 H 7.374 0.006 3
758 77 77 PHE C C 172.788 0.011 1
759 77 77 PHE CA C 58.869 0.029 1
760 77 77 PHE CB C 43.379 0.102 1
761 77 77 PHE N N 118.991 0.020 1
762 78 78 SER H H 7.828 0.002 1
763 78 78 SER HA H 4.969 0.002 1
764 78 78 SER HB2 H 3.417 0.001 2
765 78 78 SER HB3 H 3.545 0.001 2
766 78 78 SER C C 174.041 0.032 1
767 78 78 SER CA C 55.049 0.009 1
768 78 78 SER CB C 64.564 0.003 1
769 78 78 SER N N 122.472 0.027 1
770 79 79 LYS H H 8.454 0.004 1
771 79 79 LYS HA H 4.120 0.002 1
772 79 79 LYS HB2 H 1.943 0.008 2
773 79 79 LYS HB3 H 2.356 0.008 2
774 79 79 LYS C C 180.215 0.006 1
775 79 79 LYS CA C 59.674 0.018 1
776 79 79 LYS CB C 35.058 0.031 1
777 79 79 LYS N N 135.565 0.002 1
778 80 80 LEU H H 9.212 0.004 1
779 80 80 LEU HA H 3.844 0.001 1
780 80 80 LEU HB2 H 1.253 0.008 2
781 80 80 LEU HB3 H 1.597 0.006 2
782 80 80 LEU HD1 H 0.758 0.001 1
783 80 80 LEU HD2 H 0.758 0.001 1
784 80 80 LEU HG H 1.622 0.007 1
785 80 80 LEU C C 179.315 0.001 1
786 80 80 LEU CA C 58.669 0.025 1
787 80 80 LEU CB C 41.187 0.074 1
788 80 80 LEU CD1 C 25.273 0.072 2
789 80 80 LEU CD2 C 25.204 0.083 2
790 80 80 LEU N N 122.939 0.024 1
791 81 81 GLU H H 7.781 0.002 1
792 81 81 GLU HA H 4.067 0.001 1
793 81 81 GLU HB2 H 1.775 0.007 2
794 81 81 GLU HB3 H 1.856 0.007 2
795 81 81 GLU HG2 H 2.005 0.008 2
796 81 81 GLU HG3 H 2.212 0.008 2
797 81 81 GLU C C 177.880 0.004 1
798 81 81 GLU CA C 58.195 0.021 1
799 81 81 GLU CB C 31.122 0.032 1
800 81 81 GLU CG C 37.127 0.091 1
801 81 81 GLU N N 116.727 0.006 1
802 82 82 ASN H H 8.236 0.003 1
803 82 82 ASN HA H 4.535 0.002 1
804 82 82 ASN HB2 H 2.528 0.008 2
805 82 82 ASN HB3 H 2.578 0.008 2
806 82 82 ASN HD21 H 5.962 0.002 1
807 82 82 ASN HD22 H 6.102 0.003 1
808 82 82 ASN C C 177.116 0.003 1
809 82 82 ASN CA C 54.970 0.024 1
810 82 82 ASN CB C 40.127 0.037 1
811 82 82 ASN CG C 175.362 0.009 1
812 82 82 ASN N N 115.500 0.047 1
813 82 82 ASN ND2 N 110.950 0.028 1
814 83 83 GLY H H 9.237 0.003 1
815 83 83 GLY HA2 H 3.687 0.001 2
816 83 83 GLY HA3 H 4.256 0.002 2
817 83 83 GLY C C 174.581 0.035 1
818 83 83 GLY CA C 45.785 0.012 1
819 83 83 GLY N N 109.932 0.017 1
820 84 84 GLY H H 7.484 0.001 1
821 84 84 GLY HA2 H 3.660 0.001 2
822 84 84 GLY HA3 H 4.099 0.001 2
823 84 84 GLY C C 171.108 0.008 1
824 84 84 GLY CA C 43.988 0.002 1
825 84 84 GLY N N 108.575 0.014 1
826 85 85 PHE H H 8.235 0.001 1
827 85 85 PHE HA H 4.476 0.012 1
828 85 85 PHE HB2 H 2.084 0.003 2
829 85 85 PHE HB3 H 2.653 0.006 2
830 85 85 PHE HD1 H 6.318 0.010 3
831 85 85 PHE HD2 H 6.318 0.010 3
832 85 85 PHE C C 173.309 0.042 1
833 85 85 PHE CA C 55.335 0.044 1
834 85 85 PHE CB C 39.099 0.104 1
835 85 85 PHE N N 114.240 0.025 1
836 86 86 PRO HA H 4.024 0.002 1
837 86 86 PRO HB2 H 0.573 0.001 2
838 86 86 PRO HB3 H 1.195 0.001 2
839 86 86 PRO HD2 H 3.029 0.003 2
840 86 86 PRO HD3 H 3.190 0.003 2
841 86 86 PRO HG2 H 0.985 0.004 2
842 86 86 PRO HG3 H 1.608 0.004 2
843 86 86 PRO C C 177.143 0.013 1
844 86 86 PRO CA C 62.364 0.019 1
845 86 86 PRO CB C 30.108 0.019 1
846 86 86 PRO CD C 48.640 0.010 1
847 86 86 PRO CG C 26.489 0.031 1
848 87 87 TYR H H 9.784 0.001 1
849 87 87 TYR HA H 4.276 0.002 1
850 87 87 TYR HB2 H 2.877 0.006 2
851 87 87 TYR HB3 H 2.957 0.002 2
852 87 87 TYR HD1 H 7.149 0.005 3
853 87 87 TYR HD2 H 7.149 0.005 3
854 87 87 TYR HE1 H 6.645 0.006 3
855 87 87 TYR HE2 H 6.645 0.006 3
856 87 87 TYR C C 177.747 0.003 1
857 87 87 TYR CA C 58.866 0.003 1
858 87 87 TYR CB C 37.625 0.044 1
859 87 87 TYR CD1 C 133.455 0.001 3
860 87 87 TYR CD2 C 133.455 0.001 3
861 87 87 TYR CE1 C 118.071 0.001 3
862 87 87 TYR CE2 C 118.071 0.001 3
863 87 87 TYR N N 120.456 0.063 1
864 88 88 GLU H H 9.403 0.001 1
865 88 88 GLU HA H 3.539 0.003 1
866 88 88 GLU HB2 H 1.862 0.001 2
867 88 88 GLU HB3 H 2.000 0.004 2
868 88 88 GLU HG2 H 2.063 0.008 2
869 88 88 GLU HG3 H 2.150 0.008 2
870 88 88 GLU C C 178.404 0.006 1
871 88 88 GLU CA C 61.118 0.068 1
872 88 88 GLU CB C 29.265 0.027 1
873 88 88 GLU N N 126.106 0.008 1
874 89 89 LYS H H 8.666 0.001 1
875 89 89 LYS HA H 3.950 0.003 1
876 89 89 LYS HB2 H 1.660 0.002 2
877 89 89 LYS HB3 H 1.809 0.006 2
878 89 89 LYS HD2 H 1.547 0.002 1
879 89 89 LYS HD3 H 1.547 0.002 1
880 89 89 LYS HE2 H 2.808 0.004 1
881 89 89 LYS HE3 H 2.808 0.004 1
882 89 89 LYS HG2 H 1.308 0.002 2
883 89 89 LYS HG3 H 1.382 0.008 2
884 89 89 LYS C C 178.643 0.011 1
885 89 89 LYS CA C 59.625 0.013 1
886 89 89 LYS CB C 32.072 0.093 1
887 89 89 LYS CE C 42.446 0.097 1
888 89 89 LYS N N 115.935 0.025 1
889 90 90 ASP H H 6.936 0.004 1
890 90 90 ASP HA H 4.563 0.002 1
891 90 90 ASP HB2 H 2.713 0.007 2
892 90 90 ASP HB3 H 2.910 0.006 2
893 90 90 ASP C C 179.067 0.003 1
894 90 90 ASP CA C 57.138 0.035 1
895 90 90 ASP CB C 40.798 0.018 1
896 90 90 ASP N N 117.933 0.021 1
897 91 91 LEU H H 7.391 0.002 1
898 91 91 LEU HA H 4.073 0.003 1
899 91 91 LEU HB2 H 1.470 0.009 2
900 91 91 LEU HB3 H 1.577 0.009 2
901 91 91 LEU HD1 H 0.703 0.001 2
902 91 91 LEU HD2 H 0.779 0.007 2
903 91 91 LEU HG H 1.609 0.009 1
904 91 91 LEU C C 177.950 0.007 1
905 91 91 LEU CA C 57.173 0.017 1
906 91 91 LEU CB C 41.613 0.008 1
907 91 91 LEU CD1 C 24.719 0.063 2
908 91 91 LEU CD2 C 24.624 0.086 2
909 91 91 LEU CG C 26.943 0.029 1
910 91 91 LEU N N 121.227 0.008 1
911 92 92 ILE H H 8.459 0.004 1
912 92 92 ILE HA H 3.732 0.004 1
913 92 92 ILE HB H 2.073 0.004 1
914 92 92 ILE HD1 H 0.753 0.002 1
915 92 92 ILE HG12 H 1.359 0.005 2
916 92 92 ILE HG13 H 1.619 0.003 2
917 92 92 ILE HG2 H 1.034 0.006 1
918 92 92 ILE C C 178.480 0.019 1
919 92 92 ILE CA C 64.558 0.078 1
920 92 92 ILE CB C 36.711 0.069 1
921 92 92 ILE CD1 C 11.671 0.016 1
922 92 92 ILE CG1 C 29.196 0.162 1
923 92 92 ILE CG2 C 17.558 0.076 1
924 92 92 ILE N N 119.413 0.029 1
925 93 93 GLU H H 7.690 0.003 1
926 93 93 GLU HA H 4.366 0.006 1
927 93 93 GLU HB2 H 2.025 0.002 2
928 93 93 GLU HB3 H 2.139 0.006 2
929 93 93 GLU HG2 H 2.261 0.004 2
930 93 93 GLU HG3 H 2.432 0.001 2
931 93 93 GLU C C 177.796 0.003 1
932 93 93 GLU CA C 58.675 0.067 1
933 93 93 GLU CB C 28.732 0.035 1
934 93 93 GLU CG C 35.263 0.048 1
935 93 93 GLU N N 120.784 0.026 1
936 94 94 ALA H H 7.648 0.002 1
937 94 94 ALA HA H 4.065 0.004 1
938 94 94 ALA HB H 1.506 0.002 1
939 94 94 ALA C C 179.314 0.007 1
940 94 94 ALA CA C 55.419 0.030 1
941 94 94 ALA CB C 18.166 0.035 1
942 94 94 ALA N N 122.300 0.010 1
943 95 95 ILE H H 8.039 0.001 1
944 95 95 ILE HA H 3.251 0.003 1
945 95 95 ILE HB H 1.530 0.005 1
946 95 95 ILE HD1 H 0.622 0.005 1
947 95 95 ILE HG12 H 0.587 0.005 2
948 95 95 ILE HG13 H 1.755 0.006 2
949 95 95 ILE HG2 H -0.096 0.002 1
950 95 95 ILE C C 177.667 0.006 1
951 95 95 ILE CA C 65.448 0.031 1
952 95 95 ILE CB C 37.827 0.053 1
953 95 95 ILE CD1 C 15.753 0.065 1
954 95 95 ILE CG1 C 29.955 0.080 1
955 95 95 ILE CG2 C 16.497 0.066 1
956 95 95 ILE N N 117.817 0.064 1
957 96 96 ARG H H 8.046 0.002 1
958 96 96 ARG HA H 3.694 0.006 1
959 96 96 ARG HB2 H 2.027 0.006 2
960 96 96 ARG HB3 H 2.083 0.007 2
961 96 96 ARG HD2 H 3.084 0.006 2
962 96 96 ARG HD3 H 3.320 0.006 2
963 96 96 ARG HE H 7.883 0.001 1
964 96 96 ARG HG2 H 1.497 0.007 2
965 96 96 ARG HG3 H 1.672 0.007 2
966 96 96 ARG C C 179.825 0.017 1
967 96 96 ARG CA C 60.226 0.071 1
968 96 96 ARG CB C 29.444 0.084 1
969 96 96 ARG CD C 42.868 0.068 1
970 96 96 ARG CG C 26.472 0.047 1
971 96 96 ARG N N 123.765 0.009 1
972 96 96 ARG NE N 82.872 0.022 1
973 97 97 ARG H H 8.038 0.005 1
974 97 97 ARG HA H 3.829 0.005 1
975 97 97 ARG HB2 H 1.599 0.005 2
976 97 97 ARG HB3 H 1.867 0.008 2
977 97 97 ARG HD2 H 3.180 0.006 1
978 97 97 ARG HD3 H 3.180 0.006 1
979 97 97 ARG HE H 7.564 0.002 1
980 97 97 ARG HG2 H 1.525 0.006 2
981 97 97 ARG HG3 H 1.895 0.007 2
982 97 97 ARG C C 179.085 0.010 1
983 97 97 ARG CA C 60.326 0.048 1
984 97 97 ARG CB C 30.161 0.038 1
985 97 97 ARG CD C 43.785 0.070 1
986 97 97 ARG CG C 28.454 0.067 1
987 97 97 ARG N N 118.593 0.048 1
988 97 97 ARG NE N 84.926 0.013 1
989 98 98 ALA H H 8.443 0.002 1
990 98 98 ALA HA H 4.126 0.002 1
991 98 98 ALA HB H 1.403 0.001 1
992 98 98 ALA C C 181.722 0.005 1
993 98 98 ALA CA C 54.844 0.004 1
994 98 98 ALA CB C 18.530 0.002 1
995 98 98 ALA N N 122.269 0.003 1
996 99 99 SER H H 8.604 0.002 1
997 99 99 SER HA H 4.023 0.004 1
998 99 99 SER HB2 H 3.819 0.001 1
999 99 99 SER HB3 H 3.819 0.001 1
1000 99 99 SER C C 174.546 0.015 1
1001 99 99 SER CA C 61.262 0.003 1
1002 99 99 SER CB C 63.084 0.004 1
1003 99 99 SER N N 115.014 0.009 1
1004 100 100 ASN H H 7.495 0.001 1
1005 100 100 ASN HA H 4.889 0.002 1
1006 100 100 ASN HB2 H 2.725 0.001 2
1007 100 100 ASN HB3 H 3.012 0.002 2
1008 100 100 ASN HD21 H 6.768 0.002 1
1009 100 100 ASN HD22 H 7.827 0.002 1
1010 100 100 ASN C C 175.466 0.007 1
1011 100 100 ASN CA C 52.843 0.002 1
1012 100 100 ASN CB C 40.148 0.003 1
1013 100 100 ASN CG C 177.240 0.068 1
1014 100 100 ASN N N 118.082 0.005 1
1015 100 100 ASN ND2 N 112.788 0.001 1
1016 101 101 GLY H H 7.799 0.001 1
1017 101 101 GLY HA2 H 3.805 0.002 2
1018 101 101 GLY HA3 H 4.017 0.003 2
1019 101 101 GLY C C 174.794 0.038 1
1020 101 101 GLY CA C 46.328 0.001 1
1021 101 101 GLY N N 108.097 0.055 1
1022 102 102 GLU H H 7.828 0.003 1
1023 102 102 GLU HA H 4.325 0.002 1
1024 102 102 GLU HB2 H 1.613 0.004 2
1025 102 102 GLU HB3 H 2.083 0.004 2
1026 102 102 GLU C C 176.071 0.007 1
1027 102 102 GLU CA C 55.745 0.026 1
1028 102 102 GLU CB C 31.257 0.065 1
1029 102 102 GLU CG C 35.645 0.081 1
1030 102 102 GLU N N 119.411 0.054 1
1031 103 103 THR H H 8.228 0.002 1
1032 103 103 THR HA H 3.998 0.010 1
1033 103 103 THR HB H 3.997 0.001 1
1034 103 103 THR HG2 H 1.194 0.005 1
1035 103 103 THR C C 174.448 0.002 1
1036 103 103 THR CA C 63.413 0.057 1
1037 103 103 THR CB C 69.605 0.022 1
1038 103 103 THR CG2 C 22.158 0.006 1
1039 103 103 THR N N 115.531 0.009 1
1040 104 104 LEU H H 8.521 0.003 1
1041 104 104 LEU HA H 4.377 0.004 1
1042 104 104 LEU HB2 H 1.300 0.006 2
1043 104 104 LEU HB3 H 1.573 0.012 2
1044 104 104 LEU HD1 H 0.820 0.009 1
1045 104 104 LEU HD2 H 0.820 0.009 1
1046 104 104 LEU HG H 1.647 0.002 1
1047 104 104 LEU C C 176.367 0.038 1
1048 104 104 LEU CA C 54.573 0.016 1
1049 104 104 LEU CB C 42.778 0.052 1
1050 104 104 LEU CD1 C 24.098 0.094 1
1051 104 104 LEU CD2 C 24.098 0.094 1
1052 104 104 LEU CG C 26.094 0.089 1
1053 104 104 LEU N N 126.184 0.012 1
1054 105 105 GLU H H 8.085 0.005 1
1055 105 105 GLU HA H 4.468 0.004 1
1056 105 105 GLU HB2 H 1.806 0.009 2
1057 105 105 GLU HB3 H 1.999 0.006 2
1058 105 105 GLU HG2 H 2.144 0.004 1
1059 105 105 GLU HG3 H 2.144 0.004 1
1060 105 105 GLU C C 175.461 0.017 1
1061 105 105 GLU CA C 54.500 0.019 1
1062 105 105 GLU CB C 32.219 0.040 1
1063 105 105 GLU CG C 36.199 0.018 1
1064 105 105 GLU N N 121.487 0.043 1
1065 106 106 LYS H H 8.241 0.003 1
1066 106 106 LYS HA H 4.136 0.002 1
1067 106 106 LYS HB2 H 1.637 0.001 1
1068 106 106 LYS HB3 H 1.637 0.001 1
1069 106 106 LYS HD2 H 1.568 0.008 1
1070 106 106 LYS HD3 H 1.568 0.008 1
1071 106 106 LYS HE2 H 2.792 0.005 1
1072 106 106 LYS HE3 H 2.792 0.005 1
1073 106 106 LYS HG2 H 1.288 0.008 1
1074 106 106 LYS HG3 H 1.288 0.008 1
1075 106 106 LYS C C 176.802 0.005 1
1076 106 106 LYS CA C 57.688 0.005 1
1077 106 106 LYS CB C 32.732 0.048 1
1078 106 106 LYS CD C 29.509 0.165 1
1079 106 106 LYS CE C 41.770 0.051 1
1080 106 106 LYS CG C 25.292 0.102 1
1081 106 106 LYS N N 120.610 0.030 1
1082 107 107 ILE H H 9.171 0.003 1
1083 107 107 ILE HA H 4.110 0.004 1
1084 107 107 ILE HB H 2.254 0.004 1
1085 107 107 ILE HD1 H 0.838 0.005 1
1086 107 107 ILE HG12 H 1.191 0.002 2
1087 107 107 ILE HG13 H 1.950 0.004 2
1088 107 107 ILE HG2 H 1.352 0.006 1
1089 107 107 ILE C C 176.439 0.002 1
1090 107 107 ILE CA C 62.034 0.055 1
1091 107 107 ILE CB C 39.862 0.010 1
1092 107 107 ILE CD1 C 14.128 0.068 1
1093 107 107 ILE CG1 C 27.594 0.111 1
1094 107 107 ILE CG2 C 18.602 0.152 1
1095 107 107 ILE N N 127.221 0.051 1
1096 108 108 THR H H 8.490 0.003 1
1097 108 108 THR HA H 4.422 0.004 1
1098 108 108 THR HB H 4.338 0.002 1
1099 108 108 THR HG2 H 1.072 0.003 1
1100 108 108 THR C C 174.451 0.002 1
1101 108 108 THR CA C 61.758 0.011 1
1102 108 108 THR CB C 69.462 0.087 1
1103 108 108 THR CG2 C 21.488 0.057 1
1104 108 108 THR N N 116.773 0.024 1
1105 109 109 ASN H H 7.591 0.002 1
1106 109 109 ASN HA H 4.928 0.001 1
1107 109 109 ASN HB2 H 2.836 0.002 1
1108 109 109 ASN HB3 H 2.836 0.002 1
1109 109 109 ASN HD21 H 6.745 0.003 1
1110 109 109 ASN HD22 H 8.200 0.001 1
1111 109 109 ASN C C 174.627 0.003 1
1112 109 109 ASN CA C 53.064 0.017 1
1113 109 109 ASN CB C 39.790 0.005 1
1114 109 109 ASN CG C 176.215 0.039 1
1115 109 109 ASN N N 121.749 0.023 1
1116 109 109 ASN ND2 N 115.349 0.016 1
1117 110 110 SER H H 8.360 0.005 1
1118 110 110 SER HA H 4.735 0.006 1
1119 110 110 SER HB2 H 3.673 0.002 2
1120 110 110 SER HB3 H 3.734 0.003 2
1121 110 110 SER C C 171.970 0.002 1
1122 110 110 SER CA C 57.939 0.005 1
1123 110 110 SER CB C 66.166 0.014 1
1124 110 110 SER N N 115.686 0.026 1
1125 111 111 ARG H H 9.112 0.004 1
1126 111 111 ARG HA H 4.560 0.007 1
1127 111 111 ARG HB2 H 1.177 0.001 2
1128 111 111 ARG HB3 H 1.291 0.003 2
1129 111 111 ARG HD2 H 2.608 0.005 2
1130 111 111 ARG HD3 H 2.801 0.004 2
1131 111 111 ARG HG2 H 0.930 0.005 1
1132 111 111 ARG HG3 H 0.930 0.005 1
1133 111 111 ARG C C 173.976 0.041 1
1134 111 111 ARG CA C 53.188 0.081 1
1135 111 111 ARG CB C 30.433 0.031 1
1136 111 111 ARG CD C 43.849 0.145 1
1137 111 111 ARG CG C 26.180 0.056 1
1138 111 111 ARG N N 121.668 0.034 1
1139 113 113 PRO HA H 4.256 0.010 1
1140 113 113 PRO HB2 H 1.866 0.009 2
1141 113 113 PRO HB3 H 2.005 0.009 2
1142 113 113 PRO C C 176.379 0.005 1
1143 113 113 PRO CA C 63.222 0.039 1
1144 113 113 PRO CB C 31.852 0.028 1
1145 114 114 CYS H H 8.079 0.001 1
1146 114 114 CYS HA H 4.454 0.004 1
1147 114 114 CYS HB2 H 2.861 0.001 1
1148 114 114 CYS HB3 H 2.861 0.001 1
1149 114 114 CYS C C 174.259 0.021 1
1150 114 114 CYS CA C 58.207 0.026 1
1151 114 114 CYS CB C 28.129 0.011 1
1152 114 114 CYS N N 118.550 0.034 1
1153 115 115 VAL H H 8.081 0.003 1
1154 115 115 VAL HA H 4.110 0.001 1
1155 115 115 VAL HB H 2.009 0.002 1
1156 115 115 VAL HG1 H 0.886 0.002 1
1157 115 115 VAL HG2 H 0.886 0.002 1
1158 115 115 VAL C C 175.375 0.017 1
1159 115 115 VAL CA C 62.413 0.003 1
1160 115 115 VAL CB C 33.015 0.017 1
1161 115 115 VAL CG1 C 21.073 0.064 1
1162 115 115 VAL CG2 C 21.073 0.064 1
1163 115 115 VAL N N 122.743 0.036 1
1164 116 116 ILE H H 8.136 0.002 1
1165 116 116 ILE HA H 4.121 0.003 1
1166 116 116 ILE HB H 1.799 0.004 1
1167 116 116 ILE HD1 H 0.784 0.003 1
1168 116 116 ILE HG12 H 1.121 0.004 2
1169 116 116 ILE HG13 H 1.409 0.008 2
1170 116 116 ILE HG2 H 0.846 0.004 1
1171 116 116 ILE C C 175.064 0.045 1
1172 116 116 ILE CA C 61.003 0.099 1
1173 116 116 ILE CB C 38.625 0.036 1
1174 116 116 ILE CD1 C 12.720 0.129 1
1175 116 116 ILE CG1 C 27.417 0.120 1
1176 116 116 ILE CG2 C 17.619 0.031 1
1177 116 116 ILE N N 126.142 0.010 1
1178 117 117 LEU H H 7.776 0.002 1
1179 117 117 LEU HA H 4.165 0.003 1
1180 117 117 LEU HB2 H 1.528 0.003 1
1181 117 117 LEU HB3 H 1.528 0.003 1
1182 117 117 LEU HD1 H 0.802 0.007 2
1183 117 117 LEU HD2 H 0.845 0.004 2
1184 117 117 LEU C C 182.122 0.100 1
1185 117 117 LEU CA C 56.711 0.029 1
1186 117 117 LEU CB C 43.733 0.016 1
1187 117 117 LEU CD1 C 24.803 0.120 1
1188 117 117 LEU CD2 C 24.803 0.120 1
1189 117 117 LEU N N 132.801 0.007 1
stop_
save_