data_6986
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR ASSIGNMENT OF THE PHOSPHOTYROSINE BINDING(PTB) DOMAIN OF TENSIN
;
_BMRB_accession_number 6986
_BMRB_flat_file_name bmr6986.str
_Entry_type original
_Submission_date 2006-02-14
_Accession_date 2006-02-14
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'Chemical Shift Assignments: Backbone 1H, 13C and 15N; carbon beta 13C; side-chains 1H'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Leone Marilisa . .
2 Pellecchia Maurizio . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 729
"13C chemical shifts" 385
"15N chemical shifts" 135
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-02-08 update BMRB 'complete entry citation'
2006-06-28 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR assignment of the phosphotyrosine binding (PTB) domain of tensin'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16705357
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Leone Marilisa . .
2 Yu Eric C.W. .
3 Liddington Robert . .
4 Pellecchia Maurizio . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 36
_Journal_issue 'Suppl. 5'
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 40
_Page_last 40
_Year 2006
_Details .
loop_
_Keyword
'NMR ASSIGNMENT'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Phosphotyrosine binding domain of chicken tensin 1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Phosphotyrosine binding domain of chicken tensin 1' $PTB_domain_of_tensin_1
stop_
_System_molecular_weight 15650
_System_physical_state native
_System_oligomer_state protein
_System_paramagnetic no
_System_thiol_state 'all free'
loop_
_Biological_function
'Phosphotyrosine binding'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_PTB_domain_of_tensin_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Phosphotyrosine Binding Domain of tensin'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 144
_Mol_residue_sequence
;
GSHMGAACNVLFINSVEMES
LTGPQAISKAVAETLVADPT
PTATIVHFKVSAQGITLTDN
QRKLFFRRHYPLNTVTFCDL
DPQERKWTKTDGSGPAKLFG
FVARKQGSTTDNVCHLFAEL
DPDQPAAAIVNFVSRVMLGS
GQKR
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 HIS 4 MET 5 GLY
6 ALA 7 ALA 8 CYS 9 ASN 10 VAL
11 LEU 12 PHE 13 ILE 14 ASN 15 SER
16 VAL 17 GLU 18 MET 19 GLU 20 SER
21 LEU 22 THR 23 GLY 24 PRO 25 GLN
26 ALA 27 ILE 28 SER 29 LYS 30 ALA
31 VAL 32 ALA 33 GLU 34 THR 35 LEU
36 VAL 37 ALA 38 ASP 39 PRO 40 THR
41 PRO 42 THR 43 ALA 44 THR 45 ILE
46 VAL 47 HIS 48 PHE 49 LYS 50 VAL
51 SER 52 ALA 53 GLN 54 GLY 55 ILE
56 THR 57 LEU 58 THR 59 ASP 60 ASN
61 GLN 62 ARG 63 LYS 64 LEU 65 PHE
66 PHE 67 ARG 68 ARG 69 HIS 70 TYR
71 PRO 72 LEU 73 ASN 74 THR 75 VAL
76 THR 77 PHE 78 CYS 79 ASP 80 LEU
81 ASP 82 PRO 83 GLN 84 GLU 85 ARG
86 LYS 87 TRP 88 THR 89 LYS 90 THR
91 ASP 92 GLY 93 SER 94 GLY 95 PRO
96 ALA 97 LYS 98 LEU 99 PHE 100 GLY
101 PHE 102 VAL 103 ALA 104 ARG 105 LYS
106 GLN 107 GLY 108 SER 109 THR 110 THR
111 ASP 112 ASN 113 VAL 114 CYS 115 HIS
116 LEU 117 PHE 118 ALA 119 GLU 120 LEU
121 ASP 122 PRO 123 ASP 124 GLN 125 PRO
126 ALA 127 ALA 128 ALA 129 ILE 130 VAL
131 ASN 132 PHE 133 VAL 134 SER 135 ARG
136 VAL 137 MET 138 LEU 139 GLY 140 SER
141 GLY 142 GLN 143 LYS 144 ARG
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 1WVH "Crystal Structure Of Tensin1 Ptb Domain" 93.06 134 100.00 100.00 1.16e-93
PDB 2GJY "Nmr Solution Structure Of Tensin1 Ptb Domain" 100.00 144 100.00 100.00 5.19e-102
EMBL CAA46992 "tensin, partial [Gallus gallus]" 97.22 276 100.00 100.00 1.09e-96
EMBL CAA79215 "tensin, partial [Gallus gallus]" 97.22 1792 99.29 100.00 3.92e-89
GB AAA49087 "tensin [Gallus gallus]" 97.22 1733 100.00 100.00 8.95e-90
GB AAA59053 "cardiac muscle tensin [Gallus gallus]" 97.22 1744 100.00 100.00 8.23e-90
GB AAA73949 "tensin, partial [Gallus gallus]" 97.22 1792 99.29 100.00 3.92e-89
GB KFM04647 "Tensin, partial [Aptenodytes forsteri]" 97.22 1733 98.57 100.00 4.73e-89
GB KFO55064 "Tensin, partial [Corvus brachyrhynchos]" 97.22 1640 99.29 100.00 9.71e-90
REF NP_990786 "tensin [Gallus gallus]" 97.22 1733 100.00 100.00 8.95e-90
REF XP_004176788 "PREDICTED: LOW QUALITY PROTEIN: tensin-like [Taeniopygia guttata]" 97.22 1909 99.29 100.00 6.29e-89
REF XP_005010958 "PREDICTED: LOW QUALITY PROTEIN: tensin-like [Anas platyrhynchos]" 97.22 1086 99.29 100.00 3.57e-89
REF XP_005049507 "PREDICTED: tensin-like isoform X1 [Ficedula albicollis]" 97.22 1900 100.00 100.00 1.59e-89
REF XP_005049508 "PREDICTED: tensin-like isoform X2 [Ficedula albicollis]" 97.22 1888 100.00 100.00 1.89e-89
SP Q04205 "RecName: Full=Tensin [Gallus gallus]" 97.22 1744 100.00 100.00 8.23e-90
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$PTB_domain_of_tensin_1 Chicken 9031 Eukaryota Metazoa Gallus gallus
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
$PTB_domain_of_tensin_1 'recombinant technology' 'E. coli' . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$PTB_domain_of_tensin_1 1 mM '[U- 13C; U- 15N]'
'potassium phosphate' 50 mM .
NaCl 150 mM .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$PTB_domain_of_tensin_1 1 mM [U-15N]
'Potassium phosphate' 50 mM .
NaCl 150 mM .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Task
'DATA PROCESSING'
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name XEASY
_Version 1.3.13
loop_
_Task
'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 .
save_
#############################
# NMR applied experiments #
#############################
save_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC'
_Sample_label .
save_
save_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C HSQC'
_Sample_label .
save_
save_1H-1H-15N_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-1H-15N NOESY'
_Sample_label .
save_
save_1H-1H-15N_TOCSY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-1H-15N TOCSY'
_Sample_label .
save_
save_1H-1H_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-1H NOESY'
_Sample_label .
save_
save_HNCA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label $sample_1
save_
save_HNCACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label $sample_2
save_
save_HCCH_TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name 'HCCH TOCSY'
_Sample_label .
save_
save_HNCO_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.0 0.1 pH
temperature 298.0 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'1H-15N HSQC'
'1H-13C HSQC'
'1H-1H-15N NOESY'
'1H-1H-15N TOCSY'
'1H-1H NOESY'
HNCA
HNCACB
'HCCH TOCSY'
HNCO
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name 'Phosphotyrosine binding domain of chicken tensin 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 3 3 HIS HA H 4.10 0.01 1
2 3 3 HIS HB2 H 3.06 0.01 1
3 3 3 HIS HB3 H 3.06 0.01 1
4 3 3 HIS C C 174.8 1.00 1
5 4 4 MET H H 8.39 0.01 1
6 4 4 MET HA H 4.34 0.01 1
7 4 4 MET HB2 H 2.00 0.01 2
8 4 4 MET HB3 H 2.30 0.01 2
9 4 4 MET HG2 H 2.80 0.01 1
10 4 4 MET HG3 H 2.80 0.01 1
11 4 4 MET HE H 2.09 0.01 1
12 4 4 MET C C 173.3 1.00 1
13 4 4 MET CA C 52.4 0.90 1
14 4 4 MET CB C 29.5 0.90 1
15 4 4 MET N N 120.8 0.20 1
16 5 5 GLY H H 7.95 0.01 1
17 5 5 GLY HA2 H 3.63 0.01 2
18 5 5 GLY HA3 H 3.83 0.01 2
19 5 5 GLY C C 174.4 1.00 1
20 5 5 GLY CA C 42.5 0.90 1
21 5 5 GLY N N 109.3 0.20 1
22 6 6 ALA H H 7.78 0.01 1
23 6 6 ALA HA H 4.06 0.01 1
24 6 6 ALA HB H 0.54 0.01 1
25 6 6 ALA C C 172.7 1.00 1
26 6 6 ALA CA C 49.0 0.90 1
27 6 6 ALA CB C 18.1 0.90 1
28 6 6 ALA N N 121.3 0.20 1
29 7 7 ALA H H 7.87 0.01 1
30 7 7 ALA HA H 5.27 0.01 1
31 7 7 ALA HB H 1.18 0.01 1
32 7 7 ALA C C 173.5 1.00 1
33 7 7 ALA CA C 48.7 0.90 1
34 7 7 ALA CB C 19.3 0.90 1
35 7 7 ALA N N 120.7 0.20 1
36 8 8 CYS H H 8.53 0.01 1
37 8 8 CYS HA H 4.71 0.01 1
38 8 8 CYS HB2 H 3.04 0.01 2
39 8 8 CYS HB3 H 2.89 0.01 2
40 8 8 CYS C C 172.0 1.00 1
41 8 8 CYS CA C 53.6 0.90 1
42 8 8 CYS CB C 27.7 0.90 1
43 8 8 CYS N N 116.1 0.20 1
44 9 9 ASN H H 8.70 0.01 1
45 9 9 ASN HA H 5.88 0.01 1
46 9 9 ASN HB2 H 2.32 0.01 2
47 9 9 ASN HB3 H 2.77 0.01 2
48 9 9 ASN HD21 H 7.48 0.01 2
49 9 9 ASN HD22 H 6.77 0.01 2
50 9 9 ASN C C 172.0 1.00 1
51 9 9 ASN CA C 50.0 0.90 1
52 9 9 ASN CB C 37.0 0.90 1
53 9 9 ASN N N 119.7 0.20 1
54 9 9 ASN ND2 N 111.9 0.20 1
55 10 10 VAL H H 9.10 0.01 1
56 10 10 VAL HA H 4.76 0.01 1
57 10 10 VAL HB H 2.36 0.01 1
58 10 10 VAL HG1 H 1.08 0.01 2
59 10 10 VAL HG2 H 0.85 0.01 2
60 10 10 VAL C C 171.5 1.00 1
61 10 10 VAL CA C 56.9 0.90 1
62 10 10 VAL CB C 33.7 0.90 1
63 10 10 VAL N N 113.8 0.20 1
64 11 11 LEU H H 8.63 0.01 1
65 11 11 LEU HA H 4.92 0.01 1
66 11 11 LEU HB2 H 1.47 0.01 1
67 11 11 LEU HB3 H 1.47 0.01 1
68 11 11 LEU HG H 1.69 0.01 1
69 11 11 LEU HD1 H 1.07 0.01 2
70 11 11 LEU HD2 H 0.67 0.01 2
71 11 11 LEU C C 174.2 1.00 1
72 11 11 LEU CA C 51.2 0.90 1
73 11 11 LEU CB C 40.8 0.90 1
74 11 11 LEU N N 118.9 0.20 1
75 12 12 PHE H H 9.68 0.01 1
76 12 12 PHE HA H 4.46 0.01 1
77 12 12 PHE HB2 H 3.06 0.01 2
78 12 12 PHE HB3 H 2.92 0.01 2
79 12 12 PHE HD1 H 6.63 0.01 1
80 12 12 PHE HD2 H 6.63 0.01 1
81 12 12 PHE HE1 H 6.92 0.01 1
82 12 12 PHE HE2 H 6.92 0.01 1
83 12 12 PHE HZ H 7.30 0.01 1
84 12 12 PHE C C 171.1 1.00 1
85 12 12 PHE CA C 55.1 0.90 1
86 12 12 PHE CB C 37.8 0.90 1
87 12 12 PHE N N 124.9 0.20 1
88 13 13 ILE H H 7.68 0.01 1
89 13 13 ILE HA H 3.28 0.01 1
90 13 13 ILE HB H 1.79 0.01 1
91 13 13 ILE HG12 H 0.52 0.01 1
92 13 13 ILE HG13 H 0.52 0.01 1
93 13 13 ILE HG2 H -0.48 0.01 1
94 13 13 ILE HD1 H -0.75 0.01 1
95 13 13 ILE C C 170.7 1.00 1
96 13 13 ILE CA C 57.6 0.90 1
97 13 13 ILE CB C 35.0 0.90 1
98 13 13 ILE N N 126.1 0.20 1
99 14 14 ASN H H 6.09 0.01 1
100 14 14 ASN HA H 4.33 0.01 1
101 14 14 ASN HB2 H 2.39 0.01 1
102 14 14 ASN HB3 H 2.39 0.01 1
103 14 14 ASN HD21 H 7.24 0.01 2
104 14 14 ASN HD22 H 7.12 0.01 2
105 14 14 ASN C C 169.9 1.00 1
106 14 14 ASN CA C 49.2 0.90 1
107 14 14 ASN CB C 38.8 0.90 1
108 14 14 ASN N N 109.1 0.20 1
109 14 14 ASN ND2 N 111.9 0.20 1
110 15 15 SER H H 7.42 0.01 1
111 15 15 SER HA H 5.17 0.01 1
112 15 15 SER HB2 H 3.38 0.01 1
113 15 15 SER HB3 H 3.38 0.01 1
114 15 15 SER C C 170.2 1.00 1
115 15 15 SER CA C 55.4 0.90 1
116 15 15 SER CB C 61.1 0.90 1
117 15 15 SER N N 117.5 0.20 1
118 16 16 VAL H H 8.81 0.01 1
119 16 16 VAL HA H 4.12 0.01 1
120 16 16 VAL HB H 1.79 0.01 1
121 16 16 VAL HG1 H 0.81 0.01 2
122 16 16 VAL HG2 H 0.60 0.01 2
123 16 16 VAL C C 172.5 1.00 1
124 16 16 VAL CA C 58.1 0.90 1
125 16 16 VAL CB C 32.6 0.90 1
126 16 16 VAL N N 124.1 0.20 1
127 17 17 GLU H H 8.94 0.01 1
128 17 17 GLU HA H 3.97 0.01 1
129 17 17 GLU HB2 H 2.17 0.01 2
130 17 17 GLU HB3 H 1.89 0.01 2
131 17 17 GLU HG2 H 2.36 0.01 1
132 17 17 GLU HG3 H 2.36 0.01 1
133 17 17 GLU C C 173.9 1.00 1
134 17 17 GLU CA C 55.9 0.90 1
135 17 17 GLU CB C 26.6 0.90 1
136 17 17 GLU N N 129.3 0.20 1
137 18 18 MET H H 8.12 0.01 1
138 18 18 MET HA H 4.70 0.01 1
139 18 18 MET HB2 H 2.19 0.01 1
140 18 18 MET HB3 H 2.19 0.01 1
141 18 18 MET HG2 H 2.75 0.01 1
142 18 18 MET HG3 H 2.75 0.01 1
143 18 18 MET C C 174.3 1.00 1
144 18 18 MET CA C 50.3 0.90 1
145 18 18 MET CB C 31.9 0.90 1
146 18 18 MET N N 120.1 0.20 1
147 19 19 GLU H H 8.92 0.01 1
148 19 19 GLU HA H 3.90 0.01 1
149 19 19 GLU HB2 H 2.15 0.01 1
150 19 19 GLU HB3 H 2.15 0.01 1
151 19 19 GLU HG2 H 2.33 0.01 1
152 19 19 GLU HG3 H 2.33 0.01 1
153 19 19 GLU C C 173.4 1.00 1
154 19 19 GLU CA C 56.3 0.90 1
155 19 19 GLU CB C 25.1 0.90 1
156 19 19 GLU N N 121.6 0.20 1
157 20 20 SER H H 8.04 0.01 1
158 20 20 SER HA H 4.65 0.01 1
159 20 20 SER HB2 H 3.87 0.01 1
160 20 20 SER HB3 H 3.87 0.01 1
161 20 20 SER C C 172.0 1.00 1
162 20 20 SER CA C 56.1 0.90 1
163 20 20 SER CB C 61.1 0.90 1
164 20 20 SER N N 116.3 0.20 1
165 21 21 LEU H H 7.74 0.01 1
166 21 21 LEU HA H 4.07 0.01 1
167 21 21 LEU HB2 H 1.52 0.01 1
168 21 21 LEU HB3 H 1.52 0.01 1
169 21 21 LEU HG H 1.45 0.01 1
170 21 21 LEU HD1 H 0.77 0.01 2
171 21 21 LEU HD2 H 0.77 0.01 2
172 21 21 LEU C C 172.6 1.00 1
173 21 21 LEU CA C 53.7 0.90 1
174 21 21 LEU CB C 36.9 0.90 1
175 21 21 LEU N N 124.9 0.20 1
176 22 22 THR H H 7.57 0.01 1
177 22 22 THR HA H 4.19 0.01 1
178 22 22 THR HB H 3.85 0.01 1
179 22 22 THR HG2 H 1.03 0.01 1
180 22 22 THR C C 171.1 1.00 1
181 22 22 THR CA C 56.6 0.90 1
182 22 22 THR CB C 67.6 0.90 1
183 22 22 THR N N 113.4 0.20 1
184 23 23 GLY H H 7.30 0.01 1
185 23 23 GLY HA2 H 3.77 0.01 1
186 23 23 GLY HA3 H 3.77 0.01 1
187 23 23 GLY CA C 42.0 0.90 1
188 23 23 GLY N N 106.4 0.20 1
189 24 24 PRO HA H 4.68 0.01 1
190 24 24 PRO HB2 H 2.29 0.01 2
191 24 24 PRO HB3 H 2.37 0.01 2
192 24 24 PRO HG2 H 2.01 0.01 1
193 24 24 PRO HG3 H 2.01 0.01 1
194 24 24 PRO HD2 H 3.51 0.01 2
195 24 24 PRO HD3 H 3.60 0.01 2
196 24 24 PRO C C 176.0 1.00 1
197 24 24 PRO CA C 62.9 0.90 1
198 24 24 PRO CB C 29.1 0.90 1
199 25 25 GLN H H 8.47 0.01 1
200 25 25 GLN HA H 3.94 0.01 1
201 25 25 GLN HB2 H 1.98 0.01 1
202 25 25 GLN HB3 H 1.98 0.01 1
203 25 25 GLN HG2 H 2.37 0.01 1
204 25 25 GLN HG3 H 2.37 0.01 1
205 25 25 GLN C C 176.0 1.00 1
206 25 25 GLN CA C 55.8 0.90 1
207 25 25 GLN CB C 25.6 0.90 1
208 25 25 GLN N N 114.4 0.20 1
209 26 26 ALA H H 7.18 0.01 1
210 26 26 ALA HA H 3.99 0.01 1
211 26 26 ALA HB H 1.15 0.01 1
212 26 26 ALA C C 175.6 1.00 1
213 26 26 ALA CA C 51.8 0.90 1
214 26 26 ALA CB C 15.9 0.90 1
215 26 26 ALA N N 121.4 0.20 1
216 27 27 ILE H H 7.01 0.01 1
217 27 27 ILE HA H 3.70 0.01 1
218 27 27 ILE HB H 1.95 0.01 1
219 27 27 ILE HG12 H 1.54 0.01 2
220 27 27 ILE HG13 H 1.21 0.01 2
221 27 27 ILE HG2 H 0.80 0.01 1
222 27 27 ILE HD1 H 0.71 0.01 1
223 27 27 ILE C C 175.2 1.00 1
224 27 27 ILE CA C 61.6 0.90 1
225 27 27 ILE CB C 33.9 0.90 1
226 27 27 ILE N N 115.3 0.20 1
227 28 28 SER H H 8.27 0.01 1
228 28 28 SER HA H 3.82 0.01 1
229 28 28 SER HB2 H 3.71 0.01 1
230 28 28 SER HB3 H 3.71 0.01 1
231 28 28 SER C C 174.3 1.00 1
232 28 28 SER CA C 58.7 0.90 1
233 28 28 SER CB C 60.3 0.90 1
234 28 28 SER N N 111.8 0.20 1
235 29 29 LYS H H 7.79 0.01 1
236 29 29 LYS HA H 4.00 0.01 1
237 29 29 LYS HB2 H 1.74 0.01 1
238 29 29 LYS HB3 H 1.74 0.01 1
239 29 29 LYS HG2 H 1.42 0.01 1
240 29 29 LYS HG3 H 1.42 0.01 1
241 29 29 LYS HE2 H 2.95 0.01 1
242 29 29 LYS HE3 H 2.95 0.01 1
243 29 29 LYS C C 174.3 1.00 1
244 29 29 LYS CA C 56.3 0.90 1
245 29 29 LYS CB C 30.1 0.90 1
246 29 29 LYS N N 120.6 0.20 1
247 30 30 ALA H H 8.21 0.01 1
248 30 30 ALA HA H 3.74 0.01 1
249 30 30 ALA HB H 1.30 0.01 1
250 30 30 ALA C C 178.2 1.00 1
251 30 30 ALA CA C 52.5 0.90 1
252 30 30 ALA CB C 16.3 0.90 1
253 30 30 ALA N N 120.4 0.20 1
254 31 31 VAL H H 8.55 0.01 1
255 31 31 VAL HA H 4.04 0.01 1
256 31 31 VAL HB H 2.11 0.01 1
257 31 31 VAL HG1 H 0.90 0.01 2
258 31 31 VAL HG2 H 0.90 0.01 2
259 31 31 VAL C C 174.2 1.00 1
260 31 31 VAL CA C 64.8 0.90 1
261 31 31 VAL CB C 29.5 0.90 1
262 31 31 VAL N N 121.2 0.20 1
263 32 32 ALA H H 8.07 0.01 1
264 32 32 ALA HA H 3.75 0.01 1
265 32 32 ALA HB H 1.49 0.01 1
266 32 32 ALA C C 178.4 1.00 1
267 32 32 ALA CA C 53.3 0.90 1
268 32 32 ALA CB C 15.5 0.90 1
269 32 32 ALA N N 121.8 0.20 1
270 33 33 GLU H H 8.19 0.01 1
271 33 33 GLU HA H 3.86 0.01 1
272 33 33 GLU HB2 H 1.86 0.01 1
273 33 33 GLU HB3 H 1.86 0.01 1
274 33 33 GLU HG2 H 2.28 0.01 2
275 33 33 GLU HG3 H 2.14 0.01 2
276 33 33 GLU C C 176.7 1.00 1
277 33 33 GLU CA C 55.6 0.90 1
278 33 33 GLU CB C 26.8 0.90 1
279 33 33 GLU N N 114.2 0.20 1
280 34 34 THR H H 7.72 0.01 1
281 34 34 THR HA H 4.78 0.01 1
282 34 34 THR HB H 4.11 0.01 1
283 34 34 THR HG2 H 0.92 0.01 1
284 34 34 THR C C 173.1 1.00 1
285 34 34 THR CA C 64.3 0.90 1
286 34 34 THR CB C 65.6 0.90 1
287 34 34 THR N N 117.5 0.20 1
288 35 35 LEU H H 8.20 0.01 1
289 35 35 LEU HA H 4.14 0.01 1
290 35 35 LEU HB2 H 1.51 0.01 2
291 35 35 LEU HB3 H 1.82 0.01 2
292 35 35 LEU HG H 1.48 0.01 1
293 35 35 LEU HD1 H 0.89 0.01 2
294 35 35 LEU HD2 H 0.68 0.01 2
295 35 35 LEU C C 175.3 1.00 1
296 35 35 LEU CA C 54.8 0.90 1
297 35 35 LEU CB C 38.8 0.90 1
298 35 35 LEU N N 119.2 0.20 1
299 36 36 VAL H H 6.81 0.01 1
300 36 36 VAL HA H 4.45 0.01 1
301 36 36 VAL HB H 2.30 0.01 1
302 36 36 VAL HG1 H 0.85 0.01 2
303 36 36 VAL HG2 H 0.85 0.01 2
304 36 36 VAL C C 173.0 1.00 1
305 36 36 VAL CA C 57.6 0.90 1
306 36 36 VAL CB C 27.2 0.90 1
307 36 36 VAL N N 108.3 0.20 1
308 37 37 ALA H H 6.95 0.01 1
309 37 37 ALA HA H 4.02 0.01 1
310 37 37 ALA HB H 1.38 0.01 1
311 37 37 ALA C C 173.3 1.00 1
312 37 37 ALA CA C 50.7 0.90 1
313 37 37 ALA CB C 16.2 0.90 1
314 37 37 ALA N N 126.6 0.20 1
315 38 38 ASP H H 8.03 0.01 1
316 38 38 ASP HA H 4.67 0.01 1
317 38 38 ASP HB2 H 2.64 0.01 2
318 38 38 ASP HB3 H 2.38 0.01 2
319 38 38 ASP CA C 48.1 0.90 1
320 38 38 ASP CB C 40.9 0.90 1
321 38 38 ASP N N 120.8 0.20 1
322 39 39 PRO HA H 4.92 0.01 1
323 39 39 PRO HB2 H 2.32 0.01 2
324 39 39 PRO HB3 H 1.96 0.01 2
325 39 39 PRO HG2 H 1.55 0.01 2
326 39 39 PRO HG3 H 1.46 0.01 2
327 39 39 PRO HD2 H 3.46 0.01 1
328 39 39 PRO HD3 H 3.46 0.01 1
329 39 39 PRO C C 173.5 1.00 1
330 39 39 PRO CA C 60.2 0.90 1
331 39 39 PRO CB C 31.7 0.90 1
332 40 40 THR H H 8.43 0.01 1
333 40 40 THR HA H 4.30 0.01 1
334 40 40 THR HB H 3.93 0.01 1
335 40 40 THR HG2 H 1.40 0.01 1
336 40 40 THR CA C 58.8 0.90 1
337 40 40 THR CB C 67.4 0.90 1
338 40 40 THR N N 118.3 0.20 1
339 41 41 PRO HA H 4.67 0.01 1
340 41 41 PRO HB2 H 2.20 0.01 1
341 41 41 PRO HB3 H 2.20 0.01 1
342 41 41 PRO HG2 H 1.75 0.01 1
343 41 41 PRO HG3 H 1.75 0.01 1
344 41 41 PRO HD2 H 3.54 0.01 1
345 41 41 PRO HD3 H 3.54 0.01 1
346 41 41 PRO C C 172.5 1.00 1
347 41 41 PRO CA C 59.6 0.90 1
348 41 41 PRO CB C 29.6 0.90 1
349 42 42 THR H H 8.37 0.01 1
350 42 42 THR HA H 4.21 0.01 1
351 42 42 THR HB H 4.00 0.01 1
352 42 42 THR HG2 H 1.17 0.01 1
353 42 42 THR C C 170.6 1.00 1
354 42 42 THR CA C 59.3 0.90 1
355 42 42 THR CB C 67.2 0.90 1
356 42 42 THR N N 118.0 0.20 1
357 43 43 ALA H H 8.49 0.01 1
358 43 43 ALA HA H 4.63 0.01 1
359 43 43 ALA HB H 1.18 0.01 1
360 43 43 ALA C C 174.7 1.00 1
361 43 43 ALA CA C 48.8 0.90 1
362 43 43 ALA CB C 18.7 0.90 1
363 43 43 ALA N N 129.8 0.20 1
364 44 44 THR H H 8.37 0.01 1
365 44 44 THR HA H 4.61 0.01 1
366 44 44 THR HB H 3.79 0.01 1
367 44 44 THR HG2 H 1.11 0.01 1
368 44 44 THR C C 170.3 1.00 1
369 44 44 THR CA C 58.3 0.90 1
370 44 44 THR CB C 69.2 0.90 1
371 44 44 THR N N 115.9 0.20 1
372 45 45 ILE H H 8.51 0.01 1
373 45 45 ILE HA H 4.48 0.01 1
374 45 45 ILE HB H 1.65 0.01 1
375 45 45 ILE HG12 H 1.15 0.01 1
376 45 45 ILE HG13 H 1.15 0.01 1
377 45 45 ILE HG2 H 0.85 0.01 1
378 45 45 ILE HD1 H 0.83 0.01 1
379 45 45 ILE C C 173.5 1.00 1
380 45 45 ILE CA C 60.6 0.90 1
381 45 45 ILE CB C 35.5 0.90 1
382 45 45 ILE N N 128.3 0.20 1
383 46 46 VAL H H 9.34 0.01 1
384 46 46 VAL HA H 5.16 0.01 1
385 46 46 VAL HB H 2.08 0.01 1
386 46 46 VAL HG1 H 1.11 0.01 2
387 46 46 VAL HG2 H 1.11 0.01 2
388 46 46 VAL C C 170.8 1.00 1
389 46 46 VAL CA C 55.7 0.90 1
390 46 46 VAL CB C 33.0 0.90 1
391 46 46 VAL N N 121.7 0.20 1
392 47 47 HIS H H 9.18 0.01 1
393 47 47 HIS HA H 5.02 0.01 1
394 47 47 HIS HB2 H 3.12 0.01 1
395 47 47 HIS HB3 H 3.12 0.01 1
396 47 47 HIS HD2 H 6.60 0.01 1
397 47 47 HIS HE1 H 6.88 0.01 1
398 47 47 HIS C C 170.8 1.00 1
399 47 47 HIS CA C 54.4 0.90 1
400 47 47 HIS CB C 29.2 0.90 1
401 47 47 HIS N N 123.7 0.20 1
402 48 48 PHE H H 9.09 0.01 1
403 48 48 PHE HA H 4.53 0.01 1
404 48 48 PHE HB2 H 3.11 0.01 1
405 48 48 PHE HB3 H 3.11 0.01 1
406 48 48 PHE HD1 H 6.91 0.01 1
407 48 48 PHE HD2 H 6.91 0.01 1
408 48 48 PHE HE1 H 6.52 0.01 1
409 48 48 PHE HE2 H 6.52 0.01 1
410 48 48 PHE HZ H 7.29 0.01 1
411 48 48 PHE C C 170.0 1.00 1
412 48 48 PHE CA C 53.7 0.90 1
413 48 48 PHE CB C 39.7 0.90 1
414 48 48 PHE N N 133.5 0.20 1
415 49 49 LYS H H 8.41 0.01 1
416 49 49 LYS HA H 5.02 0.01 1
417 49 49 LYS HB2 H 1.79 0.01 1
418 49 49 LYS HB3 H 1.79 0.01 1
419 49 49 LYS HG2 H 1.23 0.01 1
420 49 49 LYS HG3 H 1.23 0.01 1
421 49 49 LYS HD2 H 1.50 0.01 1
422 49 49 LYS HD3 H 1.50 0.01 1
423 49 49 LYS C C 171.7 1.00 1
424 49 49 LYS CA C 51.8 0.90 1
425 49 49 LYS CB C 33.5 0.90 1
426 49 49 LYS N N 127.5 0.20 1
427 50 50 VAL H H 8.94 0.01 1
428 50 50 VAL HA H 4.85 0.01 1
429 50 50 VAL HB H 1.84 0.01 1
430 50 50 VAL HG1 H 0.89 0.01 2
431 50 50 VAL HG2 H 0.89 0.01 2
432 50 50 VAL C C 170.7 1.00 1
433 50 50 VAL CA C 57.3 0.90 1
434 50 50 VAL CB C 31.5 0.90 1
435 50 50 VAL N N 124.4 0.20 1
436 51 51 SER H H 8.69 0.01 1
437 51 51 SER HA H 4.81 0.01 1
438 51 51 SER HB2 H 3.84 0.01 1
439 51 51 SER HB3 H 3.84 0.01 1
440 51 51 SER C C 171.2 1.00 1
441 51 51 SER CA C 54.0 0.90 1
442 51 51 SER CB C 64.7 0.90 1
443 51 51 SER N N 121.9 0.20 1
444 52 52 ALA H H 8.94 0.01 1
445 52 52 ALA HA H 4.67 0.01 1
446 52 52 ALA HB H 1.40 0.01 1
447 52 52 ALA C C 175.3 1.00 1
448 52 52 ALA CA C 51.8 0.90 1
449 52 52 ALA CB C 15.5 0.90 1
450 52 52 ALA N N 120.4 0.20 1
451 53 53 GLN H H 7.90 0.01 1
452 53 53 GLN HA H 4.28 0.01 1
453 53 53 GLN HB2 H 1.75 0.01 1
454 53 53 GLN HB3 H 1.75 0.01 1
455 53 53 GLN HG2 H 2.29 0.01 2
456 53 53 GLN HG3 H 2.11 0.01 2
457 53 53 GLN C C 174.8 1.00 1
458 53 53 GLN CA C 54.3 0.90 1
459 53 53 GLN CB C 26.7 0.90 1
460 53 53 GLN N N 112.0 0.20 1
461 54 54 GLY H H 7.80 0.01 1
462 54 54 GLY HA2 H 4.67 0.01 1
463 54 54 GLY HA3 H 4.67 0.01 1
464 54 54 GLY C C 171.9 1.00 1
465 54 54 GLY CA C 42.0 0.90 1
466 54 54 GLY N N 107.1 0.20 1
467 55 55 ILE H H 8.08 0.01 1
468 55 55 ILE HA H 4.70 0.01 1
469 55 55 ILE HB H 1.81 0.01 1
470 55 55 ILE HG12 H 1.13 0.01 1
471 55 55 ILE HG13 H 1.13 0.01 1
472 55 55 ILE HG2 H -0.22 0.01 1
473 55 55 ILE HD1 H -0.26 0.01 1
474 55 55 ILE C C 172.0 1.00 1
475 55 55 ILE CA C 57.1 0.90 1
476 55 55 ILE CB C 37.9 0.90 1
477 55 55 ILE N N 121.8 0.20 1
478 56 56 THR H H 9.26 0.01 1
479 56 56 THR HA H 5.08 0.01 1
480 56 56 THR HB H 3.68 0.01 1
481 56 56 THR HG2 H 0.96 0.01 1
482 56 56 THR C C 170.7 1.00 1
483 56 56 THR CA C 58.8 0.90 1
484 56 56 THR CB C 68.1 0.90 1
485 56 56 THR N N 123.8 0.20 1
486 57 57 LEU H H 9.40 0.01 1
487 57 57 LEU HA H 5.57 0.01 1
488 57 57 LEU HB2 H 1.65 0.01 1
489 57 57 LEU HB3 H 1.65 0.01 1
490 57 57 LEU HG H 1.58 0.01 1
491 57 57 LEU HD1 H 0.50 0.01 2
492 57 57 LEU HD2 H 0.93 0.01 2
493 57 57 LEU C C 173.8 1.00 1
494 57 57 LEU CA C 49.5 0.90 1
495 57 57 LEU CB C 42.2 0.90 1
496 57 57 LEU N N 127.4 0.20 1
497 58 58 THR H H 9.02 0.01 1
498 58 58 THR HA H 5.17 0.01 1
499 58 58 THR HB H 4.04 0.01 1
500 58 58 THR HG2 H 0.95 0.01 1
501 58 58 THR C C 170.8 1.00 1
502 58 58 THR CA C 58.8 0.90 1
503 58 58 THR CB C 68.4 0.90 1
504 58 58 THR N N 118.0 0.20 1
505 59 59 ASP H H 8.69 0.01 1
506 59 59 ASP HA H 4.66 0.01 1
507 59 59 ASP HB2 H 2.94 0.01 1
508 59 59 ASP HB3 H 2.94 0.01 1
509 59 59 ASP C C 174.5 1.00 1
510 59 59 ASP CA C 49.9 0.90 1
511 59 59 ASP CB C 37.5 0.90 1
512 59 59 ASP N N 126.9 0.20 1
513 60 60 ASN H H 8.72 0.01 1
514 60 60 ASN HA H 5.53 0.01 1
515 60 60 ASN HB2 H 2.70 0.01 1
516 60 60 ASN HB3 H 2.70 0.01 1
517 60 60 ASN C C 174.2 1.00 1
518 60 60 ASN CA C 53.4 0.90 1
519 60 60 ASN CB C 35.8 0.90 1
520 60 60 ASN N N 124.2 0.20 1
521 61 61 GLN H H 8.38 0.01 1
522 61 61 GLN HA H 4.26 0.01 1
523 61 61 GLN HB2 H 2.09 0.01 1
524 61 61 GLN HB3 H 2.09 0.01 1
525 61 61 GLN HG2 H 2.31 0.01 1
526 61 61 GLN HG3 H 2.31 0.01 1
527 61 61 GLN HE21 H 7.62 0.01 2
528 61 61 GLN HE22 H 6.79 0.01 2
529 61 61 GLN C C 172.7 1.00 1
530 61 61 GLN CA C 53.5 0.90 1
531 61 61 GLN CB C 26.6 0.90 1
532 61 61 GLN N N 116.2 0.20 1
533 61 61 GLN NE2 N 112.2 0.20 1
534 62 62 ARG H H 7.86 0.01 1
535 62 62 ARG HA H 4.04 0.01 1
536 62 62 ARG HB2 H 1.67 0.01 1
537 62 62 ARG HB3 H 1.67 0.01 1
538 62 62 ARG HG2 H 1.48 0.01 1
539 62 62 ARG HG3 H 1.48 0.01 1
540 62 62 ARG HD2 H 2.95 0.01 2
541 62 62 ARG C C 173.3 1.00 1
542 62 62 ARG CA C 53.5 0.90 1
543 62 62 ARG CB C 24.6 0.90 1
544 62 62 ARG N N 117.7 0.20 1
545 63 63 LYS H H 8.03 0.01 1
546 63 63 LYS HA H 3.99 0.01 1
547 63 63 LYS HB2 H 1.72 0.01 1
548 63 63 LYS HB3 H 1.72 0.01 1
549 63 63 LYS HG2 H 1.36 0.01 1
550 63 63 LYS HG3 H 1.36 0.01 1
551 63 63 LYS CA C 56.4 0.90 1
552 63 63 LYS CB C 30.1 0.90 1
553 63 63 LYS N N 119.9 0.20 1
554 66 66 PHE HB2 H 3.08 0.01 1
555 66 66 PHE HB3 H 3.08 0.01 1
556 66 66 PHE C C 176.1 1.00 1
557 67 67 ARG H H 7.76 0.01 1
558 67 67 ARG HA H 5.45 0.01 1
559 67 67 ARG C C 173.0 1.00 1
560 67 67 ARG CA C 51.9 0.90 1
561 67 67 ARG CB C 30.9 0.90 1
562 67 67 ARG N N 118.6 0.20 1
563 68 68 ARG H H 8.86 0.01 1
564 68 68 ARG HA H 4.28 0.01 1
565 68 68 ARG HB2 H 1.87 0.01 1
566 68 68 ARG HB3 H 1.87 0.01 1
567 68 68 ARG C C 170.5 1.00 1
568 68 68 ARG CA C 52.2 0.90 1
569 68 68 ARG CB C 32.2 0.90 1
570 68 68 ARG N N 124.6 0.20 1
571 69 69 HIS H H 8.22 0.01 1
572 69 69 HIS HA H 5.16 0.01 1
573 69 69 HIS HB2 H 2.69 0.01 2
574 69 69 HIS HB3 H 2.57 0.01 2
575 69 69 HIS HD2 H 6.59 0.01 1
576 69 69 HIS C C 170.3 1.00 1
577 69 69 HIS CA C 52.4 0.90 1
578 69 69 HIS CB C 30.5 0.90 1
579 69 69 HIS N N 121.7 0.20 1
580 70 70 TYR H H 8.52 0.01 1
581 70 70 TYR HA H 4.41 0.01 1
582 70 70 TYR HB2 H 2.40 0.01 1
583 70 70 TYR HB3 H 2.40 0.01 1
584 70 70 TYR HD1 H 6.87 0.01 1
585 70 70 TYR HD2 H 6.87 0.01 1
586 70 70 TYR HE1 H 6.30 0.01 1
587 70 70 TYR HE2 H 6.30 0.01 1
588 70 70 TYR CA C 51.3 0.90 1
589 70 70 TYR CB C 35.9 0.90 1
590 70 70 TYR N N 126.1 0.20 1
591 71 71 PRO HA H 4.48 0.01 1
592 71 71 PRO HB2 H 2.15 0.01 1
593 71 71 PRO HB3 H 2.15 0.01 1
594 71 71 PRO HG2 H 1.96 0.01 1
595 71 71 PRO HG3 H 1.96 0.01 1
596 71 71 PRO HD2 H 3.56 0.01 1
597 71 71 PRO HD3 H 3.56 0.01 1
598 71 71 PRO C C 176.6 1.00 1
599 71 71 PRO CA C 60.6 0.90 1
600 71 71 PRO CB C 29.6 0.90 1
601 72 72 LEU H H 8.37 0.01 1
602 72 72 LEU HA H 4.67 0.01 1
603 72 72 LEU HB2 H 1.68 0.01 1
604 72 72 LEU HB3 H 1.68 0.01 1
605 72 72 LEU HG H 1.65 0.01 1
606 72 72 LEU HD1 H 0.72 0.01 2
607 72 72 LEU HD2 H 1.13 0.01 2
608 72 72 LEU C C 175.2 1.00 1
609 72 72 LEU CA C 55.6 0.90 1
610 72 72 LEU CB C 38.6 0.90 1
611 72 72 LEU N N 127.0 0.20 1
612 73 73 ASN H H 8.53 0.01 1
613 73 73 ASN HA H 4.69 0.01 1
614 73 73 ASN HB2 H 2.75 0.01 2
615 73 73 ASN HB3 H 2.97 0.01 2
616 73 73 ASN HD21 H 7.52 0.01 2
617 73 73 ASN HD22 H 6.63 0.01 2
618 73 73 ASN C C 173.4 1.00 1
619 73 73 ASN CA C 52.4 0.90 1
620 73 73 ASN CB C 34.2 0.90 1
621 73 73 ASN N N 112.8 0.20 1
622 73 73 ASN ND2 N 111.0 0.20 1
623 74 74 THR H H 8.14 0.01 1
624 74 74 THR HA H 4.49 0.01 1
625 74 74 THR HB H 3.73 0.01 1
626 74 74 THR HG2 H 1.25 0.01 1
627 74 74 THR C C 171.1 1.00 1
628 74 74 THR CA C 59.2 0.90 1
629 74 74 THR CB C 68.2 0.90 1
630 74 74 THR N N 109.1 0.20 1
631 75 75 VAL H H 7.63 0.01 1
632 75 75 VAL HA H 4.48 0.01 1
633 75 75 VAL HB H 2.19 0.01 1
634 75 75 VAL HG1 H 0.72 0.01 2
635 75 75 VAL HG2 H 0.72 0.01 2
636 75 75 VAL C C 173.3 1.00 1
637 75 75 VAL CA C 60.0 0.90 1
638 75 75 VAL CB C 29.2 0.90 1
639 75 75 VAL N N 125.3 0.20 1
640 76 76 THR H H 8.69 0.01 1
641 76 76 THR HA H 4.53 0.01 1
642 76 76 THR HB H 4.23 0.01 1
643 76 76 THR HG2 H 1.09 0.01 1
644 76 76 THR C C 173.3 1.00 1
645 76 76 THR CA C 59.0 0.90 1
646 76 76 THR CB C 67.4 0.90 1
647 76 76 THR N N 114.6 0.20 1
648 77 77 PHE H H 7.41 0.01 1
649 77 77 PHE HA H 4.54 0.01 1
650 77 77 PHE HB2 H 2.66 0.01 1
651 77 77 PHE HB3 H 2.66 0.01 1
652 77 77 PHE HD1 H 7.09 0.01 1
653 77 77 PHE HD2 H 7.09 0.01 1
654 77 77 PHE HE1 H 7.30 0.01 1
655 77 77 PHE HE2 H 7.30 0.01 1
656 77 77 PHE HZ H 7.47 0.01 1
657 77 77 PHE C C 170.8 1.00 1
658 77 77 PHE CA C 56.8 0.90 1
659 77 77 PHE CB C 40.6 0.90 1
660 77 77 PHE N N 120.2 0.20 1
661 78 78 CYS H H 8.07 0.01 1
662 78 78 CYS HA H 5.07 0.01 1
663 78 78 CYS HB2 H 2.66 0.01 1
664 78 78 CYS HB3 H 2.66 0.01 1
665 78 78 CYS C C 170.0 1.00 1
666 78 78 CYS CA C 55.1 0.90 1
667 78 78 CYS CB C 25.6 0.90 1
668 78 78 CYS N N 128.2 0.20 1
669 79 79 ASP H H 8.49 0.01 1
670 79 79 ASP HA H 4.68 0.01 1
671 79 79 ASP HB2 H 2.74 0.01 1
672 79 79 ASP HB3 H 2.74 0.01 1
673 79 79 ASP C C 173.0 1.00 1
674 79 79 ASP CA C 50.7 0.90 1
675 79 79 ASP CB C 42.2 0.90 1
676 79 79 ASP N N 124.2 0.20 1
677 80 80 LEU H H 9.65 0.01 1
678 80 80 LEU HA H 4.37 0.01 1
679 80 80 LEU HB2 H 1.70 0.01 1
680 80 80 LEU HB3 H 1.70 0.01 1
681 80 80 LEU HG H 1.52 0.01 1
682 80 80 LEU HD1 H 0.79 0.01 2
683 80 80 LEU HD2 H 0.62 0.01 2
684 80 80 LEU C C 174.2 1.00 1
685 80 80 LEU CA C 52.4 0.90 1
686 80 80 LEU CB C 40.9 0.90 1
687 80 80 LEU N N 119.2 0.20 1
688 81 81 ASP H H 7.21 0.01 1
689 81 81 ASP HA H 4.97 0.01 1
690 81 81 ASP HB2 H 2.80 0.01 1
691 81 81 ASP HB3 H 2.80 0.01 1
692 81 81 ASP CA C 49.7 0.90 1
693 81 81 ASP CB C 40.5 0.90 1
694 81 81 ASP N N 118.0 0.20 1
695 82 82 PRO C C 174.9 1.00 1
696 82 82 PRO CA C 62.2 0.90 1
697 82 82 PRO CB C 29.6 0.90 1
698 83 83 GLN H H 7.19 0.01 1
699 83 83 GLN HA H 4.33 0.01 1
700 83 83 GLN HB2 H 1.84 0.01 1
701 83 83 GLN HB3 H 1.84 0.01 1
702 83 83 GLN HG2 H 2.25 0.01 1
703 83 83 GLN HG3 H 2.25 0.01 1
704 83 83 GLN HE21 H 7.30 0.01 2
705 83 83 GLN HE22 H 6.66 0.01 2
706 83 83 GLN C C 172.3 1.00 1
707 83 83 GLN CA C 52.8 0.90 1
708 83 83 GLN CB C 25.9 0.90 1
709 83 83 GLN N N 113.4 0.20 1
710 83 83 GLN NE2 N 111.0 0.20 1
711 84 84 GLU H H 8.01 0.01 1
712 84 84 GLU HA H 4.17 0.01 1
713 84 84 GLU HB2 H 2.08 0.01 1
714 84 84 GLU HB3 H 2.08 0.01 1
715 84 84 GLU HG2 H 2.36 0.01 1
716 84 84 GLU HG3 H 2.36 0.01 1
717 84 84 GLU C C 173.2 1.00 1
718 84 84 GLU CA C 54.8 0.90 1
719 84 84 GLU CB C 24.7 0.90 1
720 84 84 GLU N N 115.1 0.20 1
721 85 85 ARG H H 9.08 0.01 1
722 85 85 ARG HA H 4.22 0.01 1
723 85 85 ARG HB2 H 1.89 0.01 2
724 85 85 ARG HB3 H 1.74 0.01 2
725 85 85 ARG HG2 H 1.42 0.01 1
726 85 85 ARG HG3 H 1.42 0.01 1
727 85 85 ARG HD2 H 3.11 0.01 1
728 85 85 ARG HD3 H 3.11 0.01 1
729 85 85 ARG C C 173.7 1.00 1
730 85 85 ARG CA C 54.5 0.90 1
731 85 85 ARG CB C 27.8 0.90 1
732 85 85 ARG N N 118.4 0.20 1
733 86 86 LYS H H 8.29 0.01 1
734 86 86 LYS HA H 4.90 0.01 1
735 86 86 LYS HB2 H 1.86 0.01 1
736 86 86 LYS HB3 H 1.86 0.01 1
737 86 86 LYS HG2 H 1.53 0.01 1
738 86 86 LYS HG3 H 1.53 0.01 1
739 86 86 LYS HD2 H 1.59 0.01 1
740 86 86 LYS HD3 H 1.59 0.01 1
741 86 86 LYS HE2 H 3.12 0.01 1
742 86 86 LYS HE3 H 3.12 0.01 1
743 86 86 LYS C C 172.5 1.00 1
744 86 86 LYS CA C 51.9 0.90 1
745 86 86 LYS CB C 33.2 0.90 1
746 86 86 LYS N N 117.3 0.20 1
747 87 87 TRP H H 9.49 0.01 1
748 87 87 TRP HA H 4.68 0.01 1
749 87 87 TRP HB2 H 3.01 0.01 2
750 87 87 TRP HB3 H 2.97 0.01 2
751 87 87 TRP HD1 H 6.63 0.01 1
752 87 87 TRP HE1 H 10.25 0.01 1
753 87 87 TRP HZ2 H 7.38 0.01 1
754 87 87 TRP CA C 52.7 0.90 1
755 87 87 TRP CB C 29.3 0.90 1
756 87 87 TRP N N 122.7 0.20 1
757 87 87 TRP NE1 N 129.6 0.20 1
758 88 88 THR C C 173.6 1.00 1
759 89 89 LYS H H 7.73 0.01 1
760 89 89 LYS HA H 3.89 0.01 1
761 89 89 LYS HB2 H 1.72 0.01 1
762 89 89 LYS HB3 H 1.72 0.01 1
763 89 89 LYS HG2 H 1.47 0.01 1
764 89 89 LYS HG3 H 1.47 0.01 1
765 89 89 LYS HE2 H 2.99 0.01 1
766 89 89 LYS HE3 H 2.99 0.01 1
767 89 89 LYS CA C 56.4 0.90 1
768 89 89 LYS CB C 27.3 0.90 1
769 89 89 LYS N N 120.1 0.20 1
770 90 90 THR HA H 4.48 0.01 1
771 90 90 THR HB H 4.16 0.01 1
772 90 90 THR C C 171.9 1.00 1
773 91 91 ASP H H 8.08 0.01 1
774 91 91 ASP HA H 4.70 0.01 1
775 91 91 ASP HB2 H 2.62 0.01 1
776 91 91 ASP HB3 H 2.62 0.01 1
777 91 91 ASP C C 174.6 1.00 1
778 91 91 ASP CA C 51.4 0.90 1
779 91 91 ASP CB C 37.9 0.90 1
780 91 91 ASP N N 121.7 0.20 1
781 92 92 GLY H H 8.05 0.01 1
782 92 92 GLY HA2 H 3.75 0.01 1
783 92 92 GLY HA3 H 3.75 0.01 1
784 92 92 GLY C C 172.4 1.00 1
785 92 92 GLY CA C 42.9 0.90 1
786 92 92 GLY N N 108.6 0.20 1
787 93 93 SER H H 7.91 0.01 1
788 93 93 SER HA H 4.36 0.01 1
789 93 93 SER HB2 H 3.96 0.01 1
790 93 93 SER HB3 H 3.96 0.01 1
791 93 93 SER C C 172.2 1.00 1
792 93 93 SER CA C 56.4 0.90 1
793 93 93 SER CB C 61.4 0.90 1
794 93 93 SER N N 114.8 0.20 1
795 94 94 GLY H H 8.48 0.01 1
796 94 94 GLY HA2 H 4.67 0.01 2
797 94 94 GLY HA3 H 4.21 0.01 2
798 94 94 GLY CA C 42.2 0.90 1
799 94 94 GLY N N 111.2 0.20 1
800 95 95 PRO HA H 4.66 0.01 1
801 95 95 PRO HB2 H 2.23 0.01 1
802 95 95 PRO HB3 H 2.23 0.01 1
803 95 95 PRO HG2 H 1.99 0.01 1
804 95 95 PRO HG3 H 1.99 0.01 1
805 95 95 PRO HD2 H 3.56 0.01 1
806 95 95 PRO HD3 H 3.56 0.01 1
807 95 95 PRO C C 174.4 1.00 1
808 95 95 PRO CA C 60.2 0.90 1
809 95 95 PRO CB C 30.0 0.90 1
810 96 96 ALA H H 8.81 0.01 1
811 96 96 ALA HA H 4.90 0.01 1
812 96 96 ALA HB H 1.66 0.01 1
813 96 96 ALA C C 174.3 1.00 1
814 96 96 ALA CA C 48.2 0.90 1
815 96 96 ALA CB C 20.9 0.90 1
816 96 96 ALA N N 126.3 0.20 1
817 97 97 LYS H H 8.82 0.01 1
818 97 97 LYS HA H 4.04 0.01 1
819 97 97 LYS HB2 H 1.77 0.01 1
820 97 97 LYS HB3 H 1.77 0.01 1
821 97 97 LYS HG2 H 1.40 0.01 1
822 97 97 LYS HG3 H 1.40 0.01 1
823 97 97 LYS HD2 H 1.63 0.01 1
824 97 97 LYS HD3 H 1.63 0.01 1
825 97 97 LYS HE2 H 2.94 0.01 1
826 97 97 LYS HE3 H 2.94 0.01 1
827 97 97 LYS C C 173.4 1.00 1
828 97 97 LYS CA C 56.6 0.90 1
829 97 97 LYS CB C 30.8 0.90 1
830 97 97 LYS N N 123.0 0.20 1
831 98 98 LEU H H 7.49 0.01 1
832 98 98 LEU HA H 5.28 0.01 1
833 98 98 LEU HB2 H 1.79 0.01 1
834 98 98 LEU HB3 H 1.79 0.01 1
835 98 98 LEU HG H 1.62 0.01 1
836 98 98 LEU HD1 H 1.18 0.01 2
837 98 98 LEU HD2 H 0.76 0.01 2
838 98 98 LEU C C 174.7 1.00 1
839 98 98 LEU CA C 51.6 0.90 1
840 98 98 LEU CB C 43.1 0.90 1
841 98 98 LEU N N 121.1 0.20 1
842 99 99 PHE H H 9.15 0.01 1
843 99 99 PHE HA H 4.92 0.01 1
844 99 99 PHE HB2 H 2.82 0.01 1
845 99 99 PHE HB3 H 2.82 0.01 1
846 99 99 PHE HD1 H 7.22 0.01 1
847 99 99 PHE HD2 H 7.24 0.01 1
848 99 99 PHE HE1 H 6.40 0.01 1
849 99 99 PHE HE2 H 6.40 0.01 1
850 99 99 PHE HZ H 6.16 0.01 1
851 99 99 PHE C C 170.0 1.00 1
852 99 99 PHE CA C 53.0 0.90 1
853 99 99 PHE CB C 40.0 0.90 1
854 99 99 PHE N N 117.9 0.20 1
855 100 100 GLY H H 8.83 0.01 1
856 100 100 GLY HA2 H 3.94 0.01 2
857 100 100 GLY HA3 H 5.11 0.01 2
858 100 100 GLY C C 169.3 1.00 1
859 100 100 GLY CA C 43.9 0.90 1
860 100 100 GLY N N 104.4 0.20 1
861 101 101 PHE HA H 5.73 0.01 1
862 101 101 PHE HB2 H 3.36 0.01 2
863 101 101 PHE HB3 H 3.08 0.01 2
864 101 101 PHE HD1 H 6.92 0.01 1
865 101 101 PHE HD2 H 6.92 0.01 1
866 101 101 PHE HE1 H 6.62 0.01 1
867 101 101 PHE HE2 H 6.62 0.01 1
868 101 101 PHE HZ H 6.56 0.01 1
869 101 101 PHE C C 171.1 1.00 1
870 101 101 PHE CA C 53.3 0.90 1
871 101 101 PHE CB C 39.8 0.90 1
872 101 101 PHE N N 112.4 0.20 1
873 102 102 VAL H H 9.05 0.01 1
874 102 102 VAL HA H 4.67 0.01 1
875 102 102 VAL HB H 2.14 0.01 1
876 102 102 VAL HG1 H 0.88 0.01 2
877 102 102 VAL HG2 H 0.88 0.01 2
878 102 102 VAL C C 171.7 1.00 1
879 102 102 VAL CA C 58.2 0.90 1
880 102 102 VAL CB C 30.2 0.90 1
881 102 102 VAL N N 122.7 0.20 1
882 103 103 ALA H H 9.09 0.01 1
883 103 103 ALA HA H 5.73 0.01 1
884 103 103 ALA HB H 1.52 0.01 1
885 103 103 ALA C C 174.2 1.00 1
886 103 103 ALA CA C 50.0 0.90 1
887 103 103 ALA CB C 20.5 0.90 1
888 103 103 ALA N N 128.7 0.20 1
889 104 104 ARG H H 8.71 0.01 1
890 104 104 ARG HA H 5.30 0.01 1
891 104 104 ARG HB2 H 1.94 0.01 2
892 104 104 ARG HB3 H 1.74 0.01 2
893 104 104 ARG HG2 H 1.47 0.01 1
894 104 104 ARG HG3 H 1.47 0.01 1
895 104 104 ARG HD2 H 3.24 0.01 2
896 104 104 ARG HD3 H 2.89 0.01 2
897 104 104 ARG C C 174.6 1.00 1
898 104 104 ARG CA C 53.2 0.90 1
899 104 104 ARG CB C 28.1 0.90 1
900 104 104 ARG N N 122.0 0.20 1
901 105 105 LYS H H 8.78 0.01 1
902 105 105 LYS HA H 4.68 0.01 1
903 105 105 LYS HB2 H 1.95 0.01 1
904 105 105 LYS HB3 H 1.95 0.01 1
905 105 105 LYS HG2 H 1.37 0.01 1
906 105 105 LYS HG3 H 1.37 0.01 1
907 105 105 LYS HD2 H 1.67 0.01 1
908 105 105 LYS HD3 H 1.67 0.01 1
909 105 105 LYS C C 173.6 1.00 1
910 105 105 LYS CA C 53.9 0.90 1
911 105 105 LYS CB C 31.0 0.90 1
912 105 105 LYS N N 126.0 0.20 1
913 106 106 GLN H H 8.57 0.01 1
914 106 106 GLN HA H 4.12 0.01 1
915 106 106 GLN HB2 H 2.35 0.01 1
916 106 106 GLN HB3 H 2.35 0.01 1
917 106 106 GLN HG2 H 2.01 0.01 1
918 106 106 GLN HG3 H 2.01 0.01 1
919 106 106 GLN HE21 H 7.44 0.01 2
920 106 106 GLN HE22 H 6.78 0.01 2
921 106 106 GLN CA C 55.2 0.90 1
922 106 106 GLN CB C 25.7 0.90 1
923 106 106 GLN N N 125.4 0.20 1
924 106 106 GLN NE2 N 111.5 0.20 1
925 107 107 GLY C C 174.9 1.00 1
926 108 108 SER H H 8.07 0.01 1
927 108 108 SER HA H 4.68 0.01 1
928 108 108 SER HB2 H 3.89 0.01 1
929 108 108 SER HB3 H 3.89 0.01 1
930 108 108 SER CA C 53.9 0.90 1
931 108 108 SER CB C 62.4 0.90 1
932 108 108 SER N N 114.1 0.20 1
933 109 109 THR C C 172.4 1.00 1
934 110 110 THR H H 8.03 0.01 1
935 110 110 THR HA H 4.37 0.01 1
936 110 110 THR HB H 4.17 0.01 1
937 110 110 THR HG2 H 1.03 0.01 1
938 110 110 THR C C 171.1 1.00 1
939 110 110 THR CA C 59.2 0.90 1
940 110 110 THR CB C 68.0 0.90 1
941 110 110 THR N N 110.3 0.20 1
942 111 111 ASP H H 7.89 0.01 1
943 111 111 ASP HA H 4.68 0.01 1
944 111 111 ASP HB2 H 2.62 0.01 2
945 111 111 ASP HB3 H 2.38 0.01 2
946 111 111 ASP C C 172.1 1.00 1
947 111 111 ASP CA C 51.5 0.90 1
948 111 111 ASP CB C 39.4 0.90 1
949 111 111 ASP N N 122.4 0.20 1
950 112 112 ASN H H 8.95 0.01 1
951 112 112 ASN HA H 5.31 0.01 1
952 112 112 ASN HB2 H 2.13 0.01 2
953 112 112 ASN HB3 H 2.54 0.01 2
954 112 112 ASN HD21 H 6.48 0.01 2
955 112 112 ASN HD22 H 6.71 0.01 2
956 112 112 ASN C C 172.3 1.00 1
957 112 112 ASN CA C 49.4 0.90 1
958 112 112 ASN CB C 39.3 0.90 1
959 112 112 ASN N N 118.4 0.20 1
960 112 112 ASN ND2 N 111.2 0.20 1
961 113 113 VAL H H 9.07 0.01 1
962 113 113 VAL HA H 4.16 0.01 1
963 113 113 VAL HB H 1.57 0.01 1
964 113 113 VAL HG1 H 0.74 0.01 2
965 113 113 VAL HG2 H 0.20 0.01 2
966 113 113 VAL C C 170.6 1.00 1
967 113 113 VAL CA C 58.3 0.90 1
968 113 113 VAL CB C 32.6 0.90 1
969 113 113 VAL N N 121.3 0.20 1
970 114 114 CYS H H 8.68 0.01 1
971 114 114 CYS HA H 4.80 0.01 1
972 114 114 CYS HB2 H 2.37 0.01 2
973 114 114 CYS HB3 H 2.16 0.01 2
974 114 114 CYS C C 169.3 1.00 1
975 114 114 CYS CA C 53.4 0.90 1
976 114 114 CYS CB C 26.4 0.90 1
977 114 114 CYS N N 124.9 0.20 1
978 115 115 HIS H H 8.58 0.01 1
979 115 115 HIS HA H 4.59 0.01 1
980 115 115 HIS HB2 H 2.85 0.01 1
981 115 115 HIS HB3 H 2.85 0.01 1
982 115 115 HIS HD2 H 6.68 0.01 1
983 115 115 HIS HE1 H 7.46 0.01 1
984 115 115 HIS C C 170.0 1.00 1
985 115 115 HIS CA C 52.6 0.90 1
986 115 115 HIS CB C 29.5 0.90 1
987 115 115 HIS N N 131.4 0.20 1
988 116 116 LEU H H 8.51 0.01 1
989 116 116 LEU HA H 4.61 0.01 1
990 116 116 LEU HB2 H 1.57 0.01 1
991 116 116 LEU HB3 H 1.57 0.01 1
992 116 116 LEU HD1 H 0.98 0.01 2
993 116 116 LEU HD2 H 0.51 0.01 2
994 116 116 LEU C C 171.3 1.00 1
995 116 116 LEU CA C 50.6 0.90 1
996 116 116 LEU CB C 43.7 0.90 1
997 116 116 LEU N N 123.3 0.20 1
998 117 117 PHE H H 8.67 0.01 1
999 117 117 PHE HA H 4.98 0.01 1
1000 117 117 PHE HB2 H 2.89 0.01 1
1001 117 117 PHE HB3 H 2.89 0.01 1
1002 117 117 PHE C C 170.2 1.00 1
1003 117 117 PHE CA C 52.8 0.90 1
1004 117 117 PHE CB C 41.9 0.90 1
1005 117 117 PHE N N 119.9 0.20 1
1006 118 118 ALA H H 9.11 0.01 1
1007 118 118 ALA HA H 5.53 0.01 1
1008 118 118 ALA HB H 1.09 0.01 1
1009 118 118 ALA C C 173.9 1.00 1
1010 118 118 ALA CA C 46.9 0.90 1
1011 118 118 ALA CB C 20.5 0.90 1
1012 118 118 ALA N N 118.5 0.20 1
1013 119 119 GLU H H 7.93 0.01 1
1014 119 119 GLU HA H 4.17 0.01 1
1015 119 119 GLU HB2 H 2.14 0.01 1
1016 119 119 GLU HB3 H 2.14 0.01 1
1017 119 119 GLU HG2 H 2.30 0.01 1
1018 119 119 GLU HG3 H 2.30 0.01 1
1019 119 119 GLU C C 171.3 1.00 1
1020 119 119 GLU CA C 54.3 0.90 1
1021 119 119 GLU CB C 29.4 0.90 1
1022 119 119 GLU N N 119.5 0.20 1
1023 120 120 LEU H H 9.09 0.01 1
1024 120 120 LEU HA H 4.41 0.01 1
1025 120 120 LEU HB2 H 1.71 0.01 1
1026 120 120 LEU HB3 H 1.71 0.01 1
1027 120 120 LEU HG H 1.52 0.01 1
1028 120 120 LEU HD1 H 0.80 0.01 2
1029 120 120 LEU HD2 H 0.80 0.01 2
1030 120 120 LEU C C 173.9 1.00 1
1031 120 120 LEU CA C 53.2 0.90 1
1032 120 120 LEU CB C 43.5 0.90 1
1033 120 120 LEU N N 123.6 0.20 1
1034 121 121 ASP H H 8.11 0.01 1
1035 121 121 ASP HA H 4.89 0.01 1
1036 121 121 ASP HB2 H 2.77 0.01 2
1037 121 121 ASP HB3 H 2.60 0.01 2
1038 121 121 ASP CA C 48.7 0.90 1
1039 121 121 ASP CB C 40.6 0.90 1
1040 121 121 ASP N N 120.4 0.20 1
1041 122 122 PRO HA H 4.23 0.01 1
1042 122 122 PRO HB2 H 2.28 0.01 2
1043 122 122 PRO HB3 H 2.13 0.01 2
1044 122 122 PRO HG2 H 1.92 0.01 1
1045 122 122 PRO HG3 H 1.92 0.01 1
1046 122 122 PRO HD2 H 3.86 0.01 1
1047 122 122 PRO HD3 H 3.86 0.01 1
1048 122 122 PRO C C 176.7 1.00 1
1049 122 122 PRO CA C 61.5 0.90 1
1050 122 122 PRO CB C 29.4 0.90 1
1051 123 123 ASP H H 8.53 0.01 1
1052 123 123 ASP HA H 4.62 0.01 1
1053 123 123 ASP HB2 H 2.63 0.01 1
1054 123 123 ASP HB3 H 2.63 0.01 1
1055 123 123 ASP C C 173.4 1.00 1
1056 123 123 ASP CA C 52.0 0.90 1
1057 123 123 ASP CB C 38.1 0.90 1
1058 123 123 ASP N N 116.2 0.20 1
1059 124 124 GLN H H 7.80 0.01 1
1060 124 124 GLN HA H 4.68 0.01 1
1061 124 124 GLN HB2 H 1.94 0.01 1
1062 124 124 GLN HB3 H 1.94 0.01 1
1063 124 124 GLN HG2 H 2.21 0.01 1
1064 124 124 GLN HG3 H 2.21 0.01 1
1065 124 124 GLN CA C 50.6 0.90 1
1066 124 124 GLN CB C 27.1 0.90 1
1067 124 124 GLN N N 120.3 0.20 1
1068 124 124 GLN HE21 H 7.60 0.01 2
1069 124 124 GLN HE22 H 6.64 0.01 2
1070 124 124 GLN NE2 N 110.7 0.20 1
1071 125 125 PRO HA H 4.32 0.01 1
1072 125 125 PRO HB2 H 2.25 0.01 1
1073 125 125 PRO HB3 H 2.25 0.01 1
1074 125 125 PRO HG2 H 1.98 0.01 1
1075 125 125 PRO HG3 H 1.98 0.01 1
1076 125 125 PRO HD2 H 3.33 0.01 2
1077 125 125 PRO HD3 H 3.13 0.01 2
1078 125 125 PRO C C 175.6 1.00 1
1079 125 125 PRO CA C 60.0 0.90 1
1080 125 125 PRO CB C 30.0 0.90 1
1081 126 126 ALA H H 10.07 0.01 1
1082 126 126 ALA HA H 4.37 0.01 1
1083 126 126 ALA HB H 0.88 0.01 1
1084 126 126 ALA C C 175.6 1.00 1
1085 126 126 ALA CA C 52.0 0.90 1
1086 126 126 ALA CB C 16.4 0.90 1
1087 126 126 ALA N N 125.1 0.20 1
1088 127 127 ALA H H 8.81 0.01 1
1089 127 127 ALA HA H 3.63 0.01 1
1090 127 127 ALA HB H 1.24 0.01 1
1091 127 127 ALA C C 176.5 1.00 1
1092 127 127 ALA CA C 52.5 0.90 1
1093 127 127 ALA CB C 15.5 0.90 1
1094 127 127 ALA N N 116.3 0.20 1
1095 128 128 ALA H H 6.82 0.01 1
1096 128 128 ALA HA H 3.95 0.01 1
1097 128 128 ALA HB H 1.28 0.01 1
1098 128 128 ALA CA C 51.6 0.90 1
1099 128 128 ALA CB C 15.5 0.90 1
1100 128 128 ALA N N 117.7 0.20 1
1101 129 129 ILE H H 6.92 0.01 1
1102 129 129 ILE HA H 3.31 0.01 1
1103 129 129 ILE HB H 1.77 0.01 1
1104 129 129 ILE HG12 H 1.25 0.01 1
1105 129 129 ILE HG13 H 1.25 0.01 1
1106 129 129 ILE HG2 H 0.15 0.01 1
1107 129 129 ILE HD1 H 0.00 0.01 1
1108 129 129 ILE C C 174.8 1.00 1
1109 129 129 ILE CA C 61.3 0.90 1
1110 129 129 ILE CB C 35.0 0.90 1
1111 129 129 ILE N N 119.9 0.20 1
1112 130 130 VAL H H 7.68 0.01 1
1113 130 130 VAL HA H 3.27 0.01 1
1114 130 130 VAL HB H 1.81 0.01 1
1115 130 130 VAL HG1 H 0.74 0.01 2
1116 130 130 VAL HG2 H 0.59 0.01 2
1117 130 130 VAL C C 176.1 1.00 1
1118 130 130 VAL CA C 63.3 0.90 1
1119 130 130 VAL CB C 28.8 0.90 1
1120 130 130 VAL N N 117.5 0.20 1
1121 131 131 ASN H H 7.77 0.01 1
1122 131 131 ASN HA H 4.33 0.01 1
1123 131 131 ASN HB2 H 2.74 0.01 2
1124 131 131 ASN HB3 H 2.63 0.01 2
1125 131 131 ASN C C 174.6 1.00 1
1126 131 131 ASN CA C 53.5 0.90 1
1127 131 131 ASN CB C 35.7 0.90 1
1128 131 131 ASN N N 118.2 0.20 1
1129 132 132 PHE H H 7.83 0.01 1
1130 132 132 PHE HA H 4.12 0.01 1
1131 132 132 PHE HB2 H 3.13 0.01 2
1132 132 132 PHE HB3 H 2.92 0.01 2
1133 132 132 PHE HD1 H 6.89 0.01 1
1134 132 132 PHE HD2 H 6.89 0.01 1
1135 132 132 PHE HE1 H 6.84 0.01 1
1136 132 132 PHE HE2 H 6.84 0.01 1
1137 132 132 PHE HZ H 6.56 0.01 1
1138 132 132 PHE C C 175.2 1.00 1
1139 132 132 PHE CA C 58.9 0.90 1
1140 132 132 PHE CB C 36.0 0.90 1
1141 132 132 PHE N N 121.2 0.20 1
1142 133 133 VAL H H 8.34 0.01 1
1143 133 133 VAL HA H 3.30 0.01 1
1144 133 133 VAL HB H 1.99 0.01 1
1145 133 133 VAL HG1 H 0.99 0.01 2
1146 133 133 VAL HG2 H 0.71 0.01 2
1147 133 133 VAL C C 174.8 1.00 1
1148 133 133 VAL CA C 64.1 0.90 1
1149 133 133 VAL CB C 28.8 0.90 1
1150 133 133 VAL N N 118.4 0.20 1
1151 134 134 SER H H 8.07 0.01 1
1152 134 134 SER HA H 4.02 0.01 1
1153 134 134 SER HB2 H 3.87 0.01 1
1154 134 134 SER HB3 H 3.87 0.01 1
1155 134 134 SER C C 173.6 1.00 1
1156 134 134 SER CA C 59.0 0.90 1
1157 134 134 SER CB C 60.0 0.90 1
1158 134 134 SER N N 113.6 0.20 1
1159 135 135 ARG H H 7.73 0.01 1
1160 135 135 ARG HA H 3.92 0.01 1
1161 135 135 ARG HB2 H 1.67 0.01 1
1162 135 135 ARG HB3 H 1.67 0.01 1
1163 135 135 ARG HG2 H 1.48 0.01 1
1164 135 135 ARG HG3 H 1.48 0.01 1
1165 135 135 ARG HD2 H 3.28 0.01 1
1166 135 135 ARG HD3 H 3.28 0.01 1
1167 135 135 ARG C C 176.7 1.00 1
1168 135 135 ARG CA C 56.6 0.90 1
1169 135 135 ARG CB C 27.2 0.90 1
1170 135 135 ARG N N 119.8 0.20 1
1171 136 136 VAL H H 7.65 0.01 1
1172 136 136 VAL HA H 3.80 0.01 1
1173 136 136 VAL HB H 2.01 0.01 1
1174 136 136 VAL HG1 H 0.67 0.01 2
1175 136 136 VAL HG2 H 0.67 0.01 2
1176 136 136 VAL C C 175.8 1.00 1
1177 136 136 VAL CA C 62.2 0.90 1
1178 136 136 VAL CB C 28.7 0.90 1
1179 136 136 VAL N N 116.9 0.20 1
1180 137 137 MET H H 8.10 0.01 1
1181 137 137 MET HA H 3.91 0.01 1
1182 137 137 MET HB2 H 2.04 0.01 1
1183 137 137 MET HB3 H 2.04 0.01 1
1184 137 137 MET HG2 H 2.52 0.01 1
1185 137 137 MET HG3 H 2.52 0.01 1
1186 137 137 MET C C 175.3 1.00 1
1187 137 137 MET CA C 56.3 0.90 1
1188 137 137 MET CB C 30.6 0.90 1
1189 137 137 MET N N 119.8 0.20 1
1190 138 138 LEU H H 7.86 0.01 1
1191 138 138 LEU HA H 4.65 0.01 1
1192 138 138 LEU HB2 H 1.71 0.01 1
1193 138 138 LEU HB3 H 1.71 0.01 1
1194 138 138 LEU HG H 1.55 0.01 1
1195 138 138 LEU HD1 H 0.76 0.01 2
1196 138 138 LEU HD2 H 0.76 0.01 2
1197 138 138 LEU C C 176.3 1.00 1
1198 138 138 LEU CA C 53.8 0.90 1
1199 138 138 LEU CB C 39.3 0.90 1
1200 138 138 LEU N N 119.2 0.20 1
1201 139 139 GLY H H 7.78 0.01 1
1202 139 139 GLY HA2 H 3.92 0.01 1
1203 139 139 GLY HA3 H 3.92 0.01 1
1204 139 139 GLY C C 172.2 1.00 1
1205 139 139 GLY CA C 43.1 0.90 1
1206 139 139 GLY N N 107.0 0.20 1
1207 140 140 SER H H 7.91 0.01 1
1208 140 140 SER HA H 4.39 0.01 1
1209 140 140 SER HB2 H 3.91 0.01 1
1210 140 140 SER HB3 H 3.91 0.01 1
1211 140 140 SER C C 172.6 1.00 1
1212 140 140 SER CA C 56.3 0.90 1
1213 140 140 SER CB C 61.2 0.90 1
1214 140 140 SER N N 115.3 0.20 1
1215 141 141 GLY H H 8.24 0.01 1
1216 141 141 GLY HA2 H 4.67 0.01 1
1217 141 141 GLY HA3 H 4.67 0.01 1
1218 141 141 GLY C C 171.5 1.00 1
1219 141 141 GLY CA C 42.8 0.90 1
1220 141 141 GLY N N 110.4 0.20 1
1221 142 142 GLN H H 8.00 0.01 1
1222 142 142 GLN HA H 4.26 0.01 1
1223 142 142 GLN HB2 H 1.85 0.01 1
1224 142 142 GLN HB3 H 1.85 0.01 1
1225 142 142 GLN HG2 H 2.20 0.01 1
1226 142 142 GLN HG3 H 2.20 0.01 1
1227 142 142 GLN C C 173.0 1.00 1
1228 142 142 GLN CA C 53.1 0.90 1
1229 142 142 GLN CB C 26.8 0.90 1
1230 142 142 GLN N N 119.4 0.20 1
1231 143 143 LYS H H 8.25 0.01 1
1232 143 143 LYS HA H 4.21 0.01 1
1233 143 143 LYS HB2 H 1.72 0.01 1
1234 143 143 LYS HB3 H 1.72 0.01 1
1235 143 143 LYS HG2 H 1.37 0.01 1
1236 143 143 LYS HG3 H 1.37 0.01 1
1237 143 143 LYS C C 172.8 1.00 1
1238 143 143 LYS CA C 53.7 0.90 1
1239 143 143 LYS CB C 30.3 0.90 1
1240 143 143 LYS N N 123.3 0.20 1
1241 144 144 ARG H H 7.96 0.01 1
1242 144 144 ARG HA H 4.07 0.01 1
1243 144 144 ARG HB2 H 1.81 0.01 1
1244 144 144 ARG HB3 H 1.81 0.01 1
1245 144 144 ARG HG2 H 1.62 0.01 1
1246 144 144 ARG HG3 H 1.62 0.01 1
1247 144 144 ARG CA C 54.6 0.90 1
1248 144 144 ARG CB C 28.8 0.90 1
1249 144 144 ARG N N 128.3 0.20 1
stop_
save_