data_17448
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the protein YP_546394.1, the first structural representative of the pfam family PF12112
;
_BMRB_accession_number 17448
_BMRB_flat_file_name bmr17448.str
_Entry_type original
_Submission_date 2011-02-08
_Accession_date 2011-02-08
_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 MOHANTY BISWARANJAN . .
2 SERRANO PEDRO . .
3 GERALT MICHAEL . .
4 HORST RETO . .
5 WUTHRICH KURT . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 639
"13C chemical shifts" 471
"15N chemical shifts" 117
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-03-08 original author .
stop_
_Original_release_date 2011-03-08
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the protein YP_546394.1, the first structural representative of the pfam family PF12112'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 MOHANTY BISWARANJAN . .
2 SERRANO PEDRO . .
3 GERALT MICHAEL . .
4 HORST RETO . .
5 WUTHRICH KURT . .
stop_
_Journal_abbreviation 'Not known'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'protein YP_546394.1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'protein YP_546394.1' $YP_546394.1
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_YP_546394.1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common YP_546394.1
_Molecular_mass 12034.806
_Mol_thiol_state 'all free'
loop_
_Biological_function
'unknown function'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 108
_Mol_residue_sequence
;
GMGTTEKSGIKEIIIQGLTR
AGKPFRPSDWVDRMCSTYAS
FGADRKLRYSPYLKPRVIEG
VRCLAVDLKLKDTNPEGFNQ
LMHFATENQLNILDAEGNSI
DAAQVTEI
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 GLY 2 2 MET 3 3 GLY 4 4 THR 5 5 THR
6 6 GLU 7 7 LYS 8 8 SER 9 9 GLY 10 10 ILE
11 11 LYS 12 12 GLU 13 13 ILE 14 14 ILE 15 15 ILE
16 16 GLN 17 17 GLY 18 18 LEU 19 19 THR 20 20 ARG
21 21 ALA 22 22 GLY 23 23 LYS 24 24 PRO 25 25 PHE
26 26 ARG 27 27 PRO 28 28 SER 29 29 ASP 30 30 TRP
31 31 VAL 32 32 ASP 33 33 ARG 34 34 MET 35 35 CYS
36 36 SER 37 37 THR 38 38 TYR 39 39 ALA 40 40 SER
41 41 PHE 42 42 GLY 43 43 ALA 44 44 ASP 45 45 ARG
46 46 LYS 47 47 LEU 48 48 ARG 49 49 TYR 50 50 SER
51 51 PRO 52 52 TYR 53 53 LEU 54 54 LYS 55 55 PRO
56 56 ARG 57 57 VAL 58 58 ILE 59 59 GLU 60 60 GLY
61 61 VAL 62 62 ARG 63 63 CYS 64 64 LEU 65 65 ALA
66 66 VAL 67 67 ASP 68 68 LEU 69 69 LYS 70 70 LEU
71 71 LYS 72 72 ASP 73 73 THR 74 74 ASN 75 75 PRO
76 76 GLU 77 77 GLY 78 78 PHE 79 79 ASN 80 80 GLN
81 81 LEU 82 82 MET 83 83 HIS 84 84 PHE 85 85 ALA
86 86 THR 87 87 GLU 88 88 ASN 89 89 GLN 90 90 LEU
91 91 ASN 92 92 ILE 93 93 LEU 94 94 ASP 95 95 ALA
96 96 GLU 97 97 GLY 98 98 ASN 99 99 SER 100 100 ILE
101 101 ASP 102 102 ALA 103 103 ALA 104 104 GLN 105 105 VAL
106 106 THR 107 107 GLU 108 108 ILE
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-08-26
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 2L9D "Solution Structure Of The Protein Yp_546394.1, The First Structural Representative Of The Pfam Family Pf12112" 100.00 108 100.00 100.00 4.61e-74
GB ABE50553 "hypothetical protein Mfla_2286 [Methylobacillus flagellatus KT]" 99.07 107 100.00 100.00 3.25e-73
REF WP_011480507 "hypothetical protein [Methylobacillus flagellatus]" 99.07 107 100.00 100.00 3.25e-73
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$YP_546394.1 b-proteobacteria 405 Bacteria . Methylobacillus flagellatus YP_546394.1
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
$YP_546394.1 'recombinant technology' . Escherichia coli . pSpeedET
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '50 mM sodium chloride, 20mM sodium phosphate, 4.5 mM sodium azide, 1.2 mM [U-98% 13C, U-98% 15N]'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$YP_546394.1 1.2 mM '[U-98% 13C; U-98% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 50 mM 'natural abundance'
'sodium azide' 4.5 mM 'natural abundance'
H20 95 % 'natural abundance'
D20 5 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 3.0
loop_
_Vendor
_Address
_Electronic_address
'Guntert P.' . .
stop_
loop_
_Task
'structure calculation'
stop_
_Details 'Torsional angle dynamics'
save_
save_UNIO
_Saveframe_category software
_Name UNIO
_Version 2.0.0
loop_
_Vendor
_Address
_Electronic_address
'Herrmann and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
'NOE assignment'
'peak picking'
'structure solution'
stop_
_Details 'NMR data analysis for protein structure determination'
save_
save_CARA
_Saveframe_category software
_Name CARA
_Version 1.5.3
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details 'Chemical shift assignment'
save_
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 1.3
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
'data collection'
processing
stop_
_Details 'Acquisition and Processing'
save_
save_OPALp
_Saveframe_category software
_Name OPALp
_Version 1.2
loop_
_Vendor
_Address
_Electronic_address
'Koradi,Billeter and Guntert' . .
stop_
loop_
_Task
'energy refinement'
stop_
_Details 'molecular dynamics'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
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_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_4D_APSY_-_HACANH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D APSY - HACANH'
_Sample_label $sample_1
save_
save_5D_APSY_-_HACACONH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '5D APSY - HACACONH'
_Sample_label $sample_1
save_
save_5D_APSY_-_CBCACONH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '5D APSY - CBCACONH'
_Sample_label $sample_1
save_
save_15N_resolved_[1H,1H]-NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N resolved [1H,1H]-NOESY'
_Sample_label $sample_1
save_
save_13Cali_resolved_[1H,1H]-NOESY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '13Cali resolved [1H,1H]-NOESY'
_Sample_label $sample_1
save_
save_13Caro_resolved_[1H,1H]-NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '13Caro resolved [1H,1H]-NOESY'
_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' 0.113 . M
pH 6.0 . pH
pressure 1 . atm
temperature 298 . 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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'15N resolved [1H,1H]-NOESY'
'13Cali resolved [1H,1H]-NOESY'
'13Caro resolved [1H,1H]-NOESY'
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 'protein YP_546394.1'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 2 2 MET HA H 4.514 0.024 1
2 2 2 MET HB2 H 2.104 0.024 2
3 2 2 MET HB3 H 2.104 0.024 2
4 2 2 MET C C 177.109 0.13 1
5 2 2 MET CA C 55.596 0.13 1
6 2 2 MET CB C 32.970 0.13 1
7 3 3 GLY H H 8.648 0.024 1
8 3 3 GLY HA2 H 4.016 0.024 2
9 3 3 GLY HA3 H 4.016 0.024 2
10 3 3 GLY C C 174.691 0.13 1
11 3 3 GLY CA C 45.340 0.13 1
12 3 3 GLY N N 109.993 0.12 1
13 4 4 THR H H 8.128 0.024 1
14 4 4 THR HA H 4.418 0.024 1
15 4 4 THR HB H 4.257 0.024 1
16 4 4 THR HG2 H 1.184 0.024 1
17 4 4 THR C C 175.387 0.13 1
18 4 4 THR CA C 61.683 0.13 1
19 4 4 THR CB C 69.661 0.13 1
20 4 4 THR CG2 C 21.606 0.13 1
21 4 4 THR N N 112.912 0.12 1
22 5 5 THR H H 8.262 0.024 1
23 5 5 THR HA H 4.333 0.024 1
24 5 5 THR HB H 4.221 0.024 1
25 5 5 THR HG2 H 1.184 0.024 1
26 5 5 THR C C 175.064 0.13 1
27 5 5 THR CA C 62.006 0.13 1
28 5 5 THR CB C 69.574 0.13 1
29 5 5 THR CG2 C 21.628 0.13 1
30 5 5 THR N N 115.415 0.12 1
31 6 6 GLU H H 8.433 0.024 1
32 6 6 GLU HA H 4.263 0.024 1
33 6 6 GLU HB2 H 1.923 0.024 2
34 6 6 GLU HB3 H 2.023 0.024 2
35 6 6 GLU HG2 H 2.252 0.024 2
36 6 6 GLU HG3 H 2.236 0.024 2
37 6 6 GLU C C 176.943 0.13 1
38 6 6 GLU CA C 56.608 0.13 1
39 6 6 GLU CB C 30.208 0.13 1
40 6 6 GLU CG C 36.166 0.13 1
41 6 6 GLU N N 122.895 0.12 1
42 7 7 LYS H H 8.396 0.024 1
43 7 7 LYS HA H 4.320 0.024 1
44 7 7 LYS HB2 H 1.744 0.024 2
45 7 7 LYS HB3 H 1.845 0.024 2
46 7 7 LYS HG2 H 1.439 0.024 2
47 7 7 LYS HG3 H 1.401 0.024 2
48 7 7 LYS C C 177.061 0.13 1
49 7 7 LYS CA C 56.257 0.13 1
50 7 7 LYS CB C 32.911 0.13 1
51 7 7 LYS CG C 24.723 0.13 1
52 7 7 LYS N N 121.720 0.12 1
53 8 8 SER H H 8.368 0.024 1
54 8 8 SER HA H 4.402 0.024 1
55 8 8 SER HB2 H 3.885 0.024 2
56 8 8 SER HB3 H 3.862 0.024 2
57 8 8 SER C C 175.434 0.13 1
58 8 8 SER CA C 58.457 0.13 1
59 8 8 SER CB C 63.728 0.13 1
60 8 8 SER N N 116.188 0.12 1
61 9 9 GLY H H 8.411 0.024 1
62 9 9 GLY HA2 H 3.992 0.024 2
63 9 9 GLY HA3 H 3.920 0.024 2
64 9 9 GLY C C 174.231 0.13 1
65 9 9 GLY CA C 45.219 0.13 1
66 9 9 GLY N N 110.065 0.12 1
67 10 10 ILE H H 7.977 0.024 1
68 10 10 ILE HA H 4.101 0.024 1
69 10 10 ILE HB H 1.788 0.024 1
70 10 10 ILE HG12 H 1.501 0.024 2
71 10 10 ILE HG13 H 1.140 0.024 2
72 10 10 ILE HG2 H 0.870 0.024 1
73 10 10 ILE HD1 H 0.855 0.024 1
74 10 10 ILE C C 176.312 0.13 1
75 10 10 ILE CA C 61.486 0.13 1
76 10 10 ILE CB C 38.886 0.13 1
77 10 10 ILE CG1 C 27.470 0.13 1
78 10 10 ILE CG2 C 17.727 0.13 1
79 10 10 ILE CD1 C 13.659 0.13 1
80 10 10 ILE N N 119.759 0.12 1
81 11 11 LYS H H 8.887 0.024 1
82 11 11 LYS HA H 4.459 0.024 1
83 11 11 LYS HB2 H 1.846 0.024 2
84 11 11 LYS HB3 H 1.790 0.024 2
85 11 11 LYS HG2 H 1.374 0.024 2
86 11 11 LYS HG3 H 1.461 0.024 2
87 11 11 LYS HD2 H 1.630 0.024 2
88 11 11 LYS HD3 H 1.630 0.024 2
89 11 11 LYS HE2 H 2.958 0.024 2
90 11 11 LYS HE3 H 2.958 0.024 2
91 11 11 LYS C C 175.670 0.13 1
92 11 11 LYS CA C 56.028 0.13 1
93 11 11 LYS CB C 33.495 0.13 1
94 11 11 LYS CG C 24.700 0.13 1
95 11 11 LYS CD C 28.953 0.13 1
96 11 11 LYS CE C 42.192 0.13 1
97 11 11 LYS N N 124.781 0.12 1
98 12 12 GLU H H 7.686 0.024 1
99 12 12 GLU HA H 5.314 0.024 1
100 12 12 GLU HB2 H 1.870 0.024 2
101 12 12 GLU HB3 H 1.870 0.024 2
102 12 12 GLU HG2 H 1.968 0.024 2
103 12 12 GLU HG3 H 1.968 0.024 2
104 12 12 GLU C C 174.985 0.13 1
105 12 12 GLU CA C 54.523 0.13 1
106 12 12 GLU CB C 33.829 0.13 1
107 12 12 GLU CG C 36.149 0.13 1
108 12 12 GLU N N 119.914 0.12 1
109 13 13 ILE H H 8.489 0.024 1
110 13 13 ILE HA H 4.893 0.024 1
111 13 13 ILE HB H 1.898 0.024 1
112 13 13 ILE HG12 H 1.425 0.024 2
113 13 13 ILE HG13 H 1.144 0.024 2
114 13 13 ILE HG2 H 0.891 0.024 1
115 13 13 ILE HD1 H 0.849 0.024 1
116 13 13 ILE C C 174.486 0.13 1
117 13 13 ILE CA C 58.860 0.13 1
118 13 13 ILE CB C 41.710 0.13 1
119 13 13 ILE CG1 C 26.047 0.13 1
120 13 13 ILE CG2 C 19.441 0.13 1
121 13 13 ILE CD1 C 14.674 0.13 1
122 13 13 ILE N N 113.633 0.12 1
123 14 14 ILE H H 9.283 0.024 1
124 14 14 ILE HA H 4.737 0.024 1
125 14 14 ILE HB H 1.725 0.024 1
126 14 14 ILE HG12 H 1.299 0.024 2
127 14 14 ILE HG13 H 0.955 0.024 2
128 14 14 ILE HG2 H 0.592 0.024 1
129 14 14 ILE HD1 H 0.695 0.024 1
130 14 14 ILE C C 175.507 0.13 1
131 14 14 ILE CA C 59.554 0.13 1
132 14 14 ILE CB C 40.449 0.13 1
133 14 14 ILE CG1 C 28.215 0.13 1
134 14 14 ILE CG2 C 18.794 0.13 1
135 14 14 ILE CD1 C 13.407 0.13 1
136 14 14 ILE N N 120.875 0.12 1
137 15 15 ILE H H 9.268 0.024 1
138 15 15 ILE HA H 4.360 0.024 1
139 15 15 ILE HB H 2.153 0.024 1
140 15 15 ILE HG12 H 1.708 0.024 2
141 15 15 ILE HG13 H 0.857 0.024 2
142 15 15 ILE HG2 H 0.815 0.024 1
143 15 15 ILE HD1 H 0.824 0.024 1
144 15 15 ILE C C 175.945 0.13 1
145 15 15 ILE CA C 61.026 0.13 1
146 15 15 ILE CB C 38.451 0.13 1
147 15 15 ILE CG1 C 27.349 0.13 1
148 15 15 ILE CG2 C 19.827 0.13 1
149 15 15 ILE CD1 C 14.196 0.13 1
150 15 15 ILE N N 125.933 0.12 1
151 16 16 GLN H H 9.253 0.024 1
152 16 16 GLN HA H 4.727 0.024 1
153 16 16 GLN HB2 H 2.288 0.024 2
154 16 16 GLN HB3 H 1.995 0.024 2
155 16 16 GLN HG2 H 2.217 0.024 2
156 16 16 GLN HG3 H 2.411 0.024 2
157 16 16 GLN HE21 H 6.996 0.024 2
158 16 16 GLN HE22 H 6.872 0.024 2
159 16 16 GLN C C 176.479 0.13 1
160 16 16 GLN CA C 55.232 0.13 1
161 16 16 GLN CB C 32.513 0.13 1
162 16 16 GLN CG C 35.506 0.13 1
163 16 16 GLN N N 127.943 0.12 1
164 16 16 GLN NE2 N 109.851 0.12 1
165 17 17 GLY H H 7.595 0.024 1
166 17 17 GLY HA2 H 4.523 0.024 2
167 17 17 GLY HA3 H 4.365 0.024 2
168 17 17 GLY C C 174.629 0.13 1
169 17 17 GLY CA C 47.495 0.13 1
170 17 17 GLY N N 108.861 0.12 1
171 18 18 LEU H H 7.936 0.024 1
172 18 18 LEU HA H 5.029 0.024 1
173 18 18 LEU HB2 H 1.374 0.024 2
174 18 18 LEU HB3 H 1.374 0.024 2
175 18 18 LEU HG H 1.513 0.024 1
176 18 18 LEU HD1 H 0.798 0.024 2
177 18 18 LEU HD2 H 0.812 0.024 2
178 18 18 LEU C C 175.447 0.13 1
179 18 18 LEU CA C 53.148 0.13 1
180 18 18 LEU CB C 47.030 0.13 1
181 18 18 LEU CG C 26.788 0.13 1
182 18 18 LEU CD1 C 25.014 0.13 2
183 18 18 LEU CD2 C 24.080 0.13 2
184 18 18 LEU N N 123.588 0.12 1
185 19 19 THR H H 9.123 0.024 1
186 19 19 THR HA H 5.012 0.024 1
187 19 19 THR HB H 4.747 0.024 1
188 19 19 THR HG2 H 1.313 0.024 1
189 19 19 THR C C 178.049 0.13 1
190 19 19 THR CA C 60.298 0.13 1
191 19 19 THR CB C 72.404 0.13 1
192 19 19 THR CG2 C 21.501 0.13 1
193 19 19 THR N N 110.947 0.12 1
194 20 20 ARG H H 8.858 0.024 1
195 20 20 ARG HA H 4.100 0.024 1
196 20 20 ARG HB2 H 1.822 0.024 2
197 20 20 ARG HB3 H 1.923 0.024 2
198 20 20 ARG HG2 H 1.635 0.024 2
199 20 20 ARG HG3 H 1.594 0.024 2
200 20 20 ARG HD2 H 3.177 0.024 2
201 20 20 ARG HD3 H 3.247 0.024 2
202 20 20 ARG HE H 7.180 0.024 1
203 20 20 ARG C C 176.933 0.13 1
204 20 20 ARG CA C 58.809 0.13 1
205 20 20 ARG CB C 29.794 0.13 1
206 20 20 ARG CG C 28.003 0.13 1
207 20 20 ARG CD C 43.236 0.13 1
208 20 20 ARG N N 120.643 0.12 1
209 20 20 ARG NE N 84.242 0.12 1
210 21 21 ALA H H 7.616 0.024 1
211 21 21 ALA HA H 4.434 0.024 1
212 21 21 ALA HB H 1.388 0.024 1
213 21 21 ALA C C 177.469 0.13 1
214 21 21 ALA CA C 51.779 0.13 1
215 21 21 ALA CB C 18.917 0.13 1
216 21 21 ALA N N 117.806 0.12 1
217 22 22 GLY H H 8.328 0.024 1
218 22 22 GLY HA2 H 4.188 0.024 2
219 22 22 GLY HA3 H 3.594 0.024 2
220 22 22 GLY C C 173.827 0.13 1
221 22 22 GLY CA C 45.379 0.13 1
222 22 22 GLY N N 107.054 0.12 1
223 23 23 LYS H H 7.295 0.024 1
224 23 23 LYS HA H 4.815 0.024 1
225 23 23 LYS HB2 H 1.845 0.024 2
226 23 23 LYS HB3 H 1.707 0.024 2
227 23 23 LYS HG2 H 1.283 0.024 2
228 23 23 LYS HG3 H 1.401 0.024 2
229 23 23 LYS HD2 H 1.635 0.024 2
230 23 23 LYS HD3 H 1.635 0.024 2
231 23 23 LYS HE2 H 2.952 0.024 2
232 23 23 LYS HE3 H 2.952 0.024 2
233 23 23 LYS CA C 52.675 0.13 1
234 23 23 LYS CB C 32.654 0.13 1
235 23 23 LYS CG C 24.720 0.13 1
236 23 23 LYS CD C 28.645 0.13 1
237 23 23 LYS CE C 42.202 0.13 1
238 23 23 LYS N N 118.625 0.12 1
239 24 24 PRO HA H 4.658 0.024 1
240 24 24 PRO HB2 H 2.406 0.024 2
241 24 24 PRO HB3 H 1.883 0.024 2
242 24 24 PRO HG2 H 2.017 0.024 2
243 24 24 PRO HG3 H 2.183 0.024 2
244 24 24 PRO HD2 H 3.656 0.024 2
245 24 24 PRO HD3 H 3.997 0.024 2
246 24 24 PRO C C 176.722 0.13 1
247 24 24 PRO CA C 63.157 0.13 1
248 24 24 PRO CB C 32.008 0.13 1
249 24 24 PRO CG C 27.910 0.13 1
250 24 24 PRO CD C 50.526 0.13 1
251 25 25 PHE H H 7.968 0.024 1
252 25 25 PHE HA H 4.497 0.024 1
253 25 25 PHE HB2 H 2.439 0.024 2
254 25 25 PHE HB3 H 2.401 0.024 2
255 25 25 PHE HD1 H 6.550 0.024 3
256 25 25 PHE HD2 H 6.550 0.024 3
257 25 25 PHE HE1 H 7.003 0.024 3
258 25 25 PHE HE2 H 7.003 0.024 3
259 25 25 PHE HZ H 6.937 0.024 1
260 25 25 PHE C C 174.604 0.13 1
261 25 25 PHE CA C 57.759 0.13 1
262 25 25 PHE CB C 40.538 0.13 1
263 25 25 PHE CD1 C 131.414 0.13 3
264 25 25 PHE CD2 C 131.410 0.13 3
265 25 25 PHE CE1 C 131.387 0.13 3
266 25 25 PHE CE2 C 131.387 0.13 3
267 25 25 PHE CZ C 129.667 0.13 1
268 25 25 PHE N N 124.402 0.12 1
269 26 26 ARG H H 7.396 0.024 1
270 26 26 ARG HA H 4.320 0.024 1
271 26 26 ARG HB2 H 1.445 0.024 2
272 26 26 ARG HB3 H 1.681 0.024 2
273 26 26 ARG HG2 H 1.546 0.024 2
274 26 26 ARG HG3 H 1.546 0.024 2
275 26 26 ARG HD2 H 3.166 0.024 2
276 26 26 ARG HD3 H 3.110 0.024 2
277 26 26 ARG HE H 7.435 0.024 1
278 26 26 ARG CA C 52.505 0.13 1
279 26 26 ARG CB C 31.419 0.13 1
280 26 26 ARG CG C 27.230 0.13 1
281 26 26 ARG CD C 43.316 0.13 1
282 26 26 ARG N N 127.321 0.12 1
283 26 26 ARG NE N 84.239 0.12 1
284 27 27 PRO HA H 4.591 0.024 1
285 27 27 PRO HB2 H 2.447 0.024 2
286 27 27 PRO HB3 H 2.447 0.024 2
287 27 27 PRO HG2 H 1.992 0.024 2
288 27 27 PRO HG3 H 1.992 0.024 2
289 27 27 PRO HD2 H 3.475 0.024 2
290 27 27 PRO HD3 H 3.345 0.024 2
291 27 27 PRO C C 177.901 0.13 1
292 27 27 PRO CA C 61.915 0.13 1
293 27 27 PRO CB C 35.053 0.13 1
294 27 27 PRO CG C 25.338 0.13 1
295 27 27 PRO CD C 50.174 0.13 1
296 28 28 SER H H 9.183 0.024 1
297 28 28 SER HA H 4.686 0.024 1
298 28 28 SER HB2 H 4.177 0.024 2
299 28 28 SER HB3 H 4.108 0.024 2
300 28 28 SER C C 174.718 0.13 1
301 28 28 SER CA C 60.720 0.13 1
302 28 28 SER CB C 63.322 0.13 1
303 28 28 SER N N 116.121 0.12 1
304 29 29 ASP H H 8.083 0.024 1
305 29 29 ASP HA H 4.613 0.024 1
306 29 29 ASP HB2 H 3.107 0.024 2
307 29 29 ASP HB3 H 2.624 0.024 2
308 29 29 ASP CA C 53.620 0.13 1
309 29 29 ASP CB C 39.620 0.13 1
310 29 29 ASP N N 117.613 0.12 1
311 30 30 TRP H H 7.779 0.024 1
312 30 30 TRP HA H 4.194 0.024 1
313 30 30 TRP HB2 H 3.656 0.024 2
314 30 30 TRP HB3 H 3.522 0.024 2
315 30 30 TRP HD1 H 8.122 0.024 1
316 30 30 TRP HE1 H 10.344 0.024 1
317 30 30 TRP HE3 H 7.143 0.024 1
318 30 30 TRP HZ2 H 7.210 0.024 1
319 30 30 TRP HZ3 H 6.649 0.024 1
320 30 30 TRP HH2 H 6.989 0.024 1
321 30 30 TRP C C 177.592 0.13 1
322 30 30 TRP CA C 59.917 0.13 1
323 30 30 TRP CB C 27.218 0.13 1
324 30 30 TRP CD1 C 128.563 0.13 1
325 30 30 TRP CE3 C 120.386 0.13 1
326 30 30 TRP CZ2 C 114.458 0.13 1
327 30 30 TRP CZ3 C 120.329 0.13 1
328 30 30 TRP CH2 C 124.725 0.13 1
329 30 30 TRP N N 119.735 0.12 1
330 30 30 TRP NE1 N 128.793 0.12 1
331 31 31 VAL H H 6.147 0.024 1
332 31 31 VAL HA H 2.470 0.024 1
333 31 31 VAL HB H 1.247 0.024 1
334 31 31 VAL HG1 H -0.660 0.024 2
335 31 31 VAL HG2 H 0.416 0.024 2
336 31 31 VAL C C 177.487 0.13 1
337 31 31 VAL CA C 66.519 0.13 1
338 31 31 VAL CB C 31.497 0.13 1
339 31 31 VAL CG1 C 20.150 0.13 2
340 31 31 VAL CG2 C 21.149 0.13 2
341 31 31 VAL N N 120.262 0.12 1
342 32 32 ASP H H 7.128 0.024 1
343 32 32 ASP HA H 4.160 0.024 1
344 32 32 ASP HB2 H 2.625 0.024 2
345 32 32 ASP HB3 H 2.676 0.024 2
346 32 32 ASP C C 179.532 0.13 1
347 32 32 ASP CA C 57.081 0.13 1
348 32 32 ASP CB C 40.552 0.13 1
349 32 32 ASP N N 118.749 0.12 1
350 33 33 ARG H H 8.096 0.024 1
351 33 33 ARG HA H 4.040 0.024 1
352 33 33 ARG HB2 H 1.880 0.024 2
353 33 33 ARG HB3 H 1.880 0.024 2
354 33 33 ARG HG2 H 1.650 0.024 2
355 33 33 ARG HG3 H 1.547 0.024 2
356 33 33 ARG HD2 H 3.113 0.024 2
357 33 33 ARG HD3 H 3.113 0.024 2
358 33 33 ARG HE H 7.126 0.024 1
359 33 33 ARG C C 180.372 0.13 1
360 33 33 ARG CA C 59.072 0.13 1
361 33 33 ARG CB C 29.666 0.13 1
362 33 33 ARG CG C 27.625 0.13 1
363 33 33 ARG CD C 43.289 0.13 1
364 33 33 ARG N N 119.254 0.12 1
365 33 33 ARG NE N 84.288 0.12 1
366 34 34 MET H H 8.386 0.024 1
367 34 34 MET HA H 4.380 0.024 1
368 34 34 MET HB2 H 2.280 0.024 2
369 34 34 MET HB3 H 1.836 0.024 2
370 34 34 MET HG2 H 2.375 0.024 2
371 34 34 MET HG3 H 2.745 0.024 2
372 34 34 MET HE H 1.380 0.024 1
373 34 34 MET C C 178.958 0.13 1
374 34 34 MET CA C 57.343 0.13 1
375 34 34 MET CB C 31.733 0.13 1
376 34 34 MET CG C 32.976 0.13 1
377 34 34 MET CE C 17.303 0.13 1
378 34 34 MET N N 118.712 0.12 1
379 35 35 CYS H H 8.086 0.024 1
380 35 35 CYS HA H 4.131 0.024 1
381 35 35 CYS HB2 H 3.082 0.024 2
382 35 35 CYS HB3 H 2.634 0.024 2
383 35 35 CYS C C 178.186 0.13 1
384 35 35 CYS CA C 64.362 0.13 1
385 35 35 CYS CB C 26.620 0.13 1
386 35 35 CYS N N 115.512 0.12 1
387 36 36 SER H H 8.177 0.024 1
388 36 36 SER HA H 4.147 0.024 1
389 36 36 SER HB2 H 3.992 0.024 2
390 36 36 SER HB3 H 3.942 0.024 2
391 36 36 SER C C 176.526 0.13 1
392 36 36 SER CA C 61.837 0.13 1
393 36 36 SER CB C 62.641 0.13 1
394 36 36 SER N N 113.619 0.12 1
395 37 37 THR H H 7.999 0.024 1
396 37 37 THR HA H 3.862 0.024 1
397 37 37 THR HB H 4.110 0.024 1
398 37 37 THR HG2 H 0.743 0.024 1
399 37 37 THR C C 175.269 0.13 1
400 37 37 THR CA C 66.029 0.13 1
401 37 37 THR CB C 68.947 0.13 1
402 37 37 THR CG2 C 20.848 0.13 1
403 37 37 THR N N 117.507 0.12 1
404 38 38 TYR H H 7.246 0.024 1
405 38 38 TYR HA H 4.471 0.024 1
406 38 38 TYR HB2 H 3.358 0.024 2
407 38 38 TYR HB3 H 2.690 0.024 2
408 38 38 TYR HD1 H 7.289 0.024 3
409 38 38 TYR HD2 H 7.289 0.024 3
410 38 38 TYR HE1 H 6.676 0.024 3
411 38 38 TYR HE2 H 6.676 0.024 3
412 38 38 TYR C C 174.736 0.13 1
413 38 38 TYR CA C 58.831 0.13 1
414 38 38 TYR CB C 38.139 0.13 1
415 38 38 TYR CD1 C 133.074 0.13 3
416 38 38 TYR CD2 C 133.070 0.13 3
417 38 38 TYR CE1 C 117.658 0.13 3
418 38 38 TYR CE2 C 117.660 0.13 3
419 38 38 TYR N N 116.445 0.12 1
420 39 39 ALA H H 7.057 0.024 1
421 39 39 ALA HA H 4.480 0.024 1
422 39 39 ALA HB H 1.161 0.024 1
423 39 39 ALA C C 176.703 0.13 1
424 39 39 ALA CA C 51.894 0.13 1
425 39 39 ALA CB C 20.289 0.13 1
426 39 39 ALA N N 122.288 0.12 1
427 40 40 SER H H 8.357 0.024 1
428 40 40 SER HA H 4.620 0.024 1
429 40 40 SER HB2 H 3.803 0.024 2
430 40 40 SER HB3 H 3.803 0.024 2
431 40 40 SER C C 173.538 0.13 1
432 40 40 SER CA C 57.016 0.13 1
433 40 40 SER CB C 65.429 0.13 1
434 40 40 SER N N 112.983 0.12 1
435 41 41 PHE H H 8.649 0.024 1
436 41 41 PHE HA H 4.756 0.024 1
437 41 41 PHE HB2 H 2.872 0.024 2
438 41 41 PHE HB3 H 2.942 0.024 2
439 41 41 PHE HD1 H 7.045 0.024 3
440 41 41 PHE HD2 H 7.045 0.024 3
441 41 41 PHE HE1 H 7.253 0.024 3
442 41 41 PHE HE2 H 7.253 0.024 3
443 41 41 PHE HZ H 7.220 0.024 1
444 41 41 PHE C C 177.251 0.13 1
445 41 41 PHE CA C 58.010 0.13 1
446 41 41 PHE CB C 40.721 0.13 1
447 41 41 PHE CD1 C 131.545 0.13 3
448 41 41 PHE CD2 C 131.543 0.13 3
449 41 41 PHE CE1 C 131.530 0.13 3
450 41 41 PHE CE2 C 131.533 0.13 3
451 41 41 PHE CZ C 129.800 0.13 1
452 41 41 PHE N N 120.672 0.12 1
453 42 42 GLY H H 8.436 0.024 1
454 42 42 GLY HA2 H 4.369 0.024 2
455 42 42 GLY HA3 H 3.894 0.024 2
456 42 42 GLY C C 175.643 0.13 1
457 42 42 GLY CA C 44.156 0.13 1
458 42 42 GLY N N 109.469 0.12 1
459 43 43 ALA H H 8.785 0.024 1
460 43 43 ALA HA H 4.159 0.024 1
461 43 43 ALA HB H 1.427 0.024 1
462 43 43 ALA C C 178.328 0.13 1
463 43 43 ALA CA C 54.203 0.13 1
464 43 43 ALA CB C 18.361 0.13 1
465 43 43 ALA N N 123.985 0.12 1
466 44 44 ASP H H 8.227 0.024 1
467 44 44 ASP HA H 4.385 0.024 1
468 44 44 ASP HB2 H 2.903 0.024 2
469 44 44 ASP HB3 H 2.624 0.024 2
470 44 44 ASP C C 176.172 0.13 1
471 44 44 ASP CA C 53.177 0.13 1
472 44 44 ASP CB C 39.756 0.13 1
473 44 44 ASP N N 114.733 0.12 1
474 45 45 ARG H H 8.146 0.024 1
475 45 45 ARG HA H 3.535 0.024 1
476 45 45 ARG HB2 H 1.962 0.024 2
477 45 45 ARG HB3 H 2.017 0.024 2
478 45 45 ARG HG2 H 1.532 0.024 2
479 45 45 ARG HG3 H 1.468 0.024 2
480 45 45 ARG HD2 H 3.099 0.024 2
481 45 45 ARG HD3 H 3.099 0.024 2
482 45 45 ARG HE H 7.051 0.024 1
483 45 45 ARG C C 175.151 0.13 1
484 45 45 ARG CA C 57.278 0.13 1
485 45 45 ARG CB C 27.064 0.13 1
486 45 45 ARG CG C 27.208 0.13 1
487 45 45 ARG CD C 43.012 0.13 1
488 45 45 ARG N N 112.240 0.12 1
489 45 45 ARG NE N 83.606 0.12 1
490 46 46 LYS H H 7.580 0.024 1
491 46 46 LYS HA H 4.480 0.024 1
492 46 46 LYS HB2 H 1.705 0.024 2
493 46 46 LYS HB3 H 1.705 0.024 2
494 46 46 LYS HG2 H 1.335 0.024 2
495 46 46 LYS HG3 H 1.278 0.024 2
496 46 46 LYS HD2 H 1.630 0.024 2
497 46 46 LYS HD3 H 1.630 0.024 2
498 46 46 LYS HE2 H 2.957 0.024 2
499 46 46 LYS HE3 H 2.957 0.024 2
500 46 46 LYS C C 176.927 0.13 1
501 46 46 LYS CA C 55.233 0.13 1
502 46 46 LYS CB C 33.310 0.13 1
503 46 46 LYS CG C 25.001 0.13 1
504 46 46 LYS CD C 28.954 0.13 1
505 46 46 LYS CE C 42.195 0.13 1
506 46 46 LYS N N 117.309 0.12 1
507 47 47 LEU H H 8.494 0.024 1
508 47 47 LEU HA H 4.034 0.024 1
509 47 47 LEU HB2 H 1.304 0.024 2
510 47 47 LEU HB3 H 1.153 0.024 2
511 47 47 LEU HG H 1.100 0.024 1
512 47 47 LEU HD1 H 0.460 0.024 2
513 47 47 LEU HD2 H 0.390 0.024 2
514 47 47 LEU C C 176.860 0.13 1
515 47 47 LEU CA C 55.409 0.13 1
516 47 47 LEU CB C 42.528 0.13 1
517 47 47 LEU CG C 26.861 0.13 1
518 47 47 LEU CD1 C 24.216 0.13 2
519 47 47 LEU CD2 C 24.200 0.13 2
520 47 47 LEU N N 124.598 0.12 1
521 48 48 ARG H H 8.682 0.024 1
522 48 48 ARG HA H 4.502 0.024 1
523 48 48 ARG HB2 H 1.654 0.024 2
524 48 48 ARG HB3 H 1.705 0.024 2
525 48 48 ARG HG2 H 1.491 0.024 2
526 48 48 ARG HG3 H 1.491 0.024 2
527 48 48 ARG HD2 H 3.110 0.024 2
528 48 48 ARG HD3 H 3.110 0.024 2
529 48 48 ARG C C 176.248 0.13 1
530 48 48 ARG CA C 54.425 0.13 1
531 48 48 ARG CB C 31.335 0.13 1
532 48 48 ARG CG C 26.923 0.13 1
533 48 48 ARG CD C 43.263 0.13 1
534 48 48 ARG N N 123.819 0.12 1
535 49 49 TYR H H 8.573 0.024 1
536 49 49 TYR HA H 4.267 0.024 1
537 49 49 TYR HB2 H 3.302 0.024 2
538 49 49 TYR HB3 H 2.673 0.024 2
539 49 49 TYR HD1 H 7.126 0.024 3
540 49 49 TYR HD2 H 7.126 0.024 3
541 49 49 TYR HE1 H 6.648 0.024 3
542 49 49 TYR HE2 H 6.648 0.024 3
543 49 49 TYR C C 176.652 0.13 1
544 49 49 TYR CA C 58.657 0.13 1
545 49 49 TYR CB C 38.073 0.13 1
546 49 49 TYR CD1 C 132.756 0.13 3
547 49 49 TYR CD2 C 132.760 0.13 3
548 49 49 TYR CE1 C 117.879 0.13 3
549 49 49 TYR CE2 C 117.880 0.13 3
550 49 49 TYR N N 123.464 0.12 1
551 50 50 SER H H 9.309 0.024 1
552 50 50 SER HA H 4.614 0.024 1
553 50 50 SER HB2 H 3.856 0.024 2
554 50 50 SER HB3 H 4.161 0.024 2
555 50 50 SER CA C 56.021 0.13 1
556 50 50 SER CB C 64.545 0.13 1
557 50 50 SER N N 116.789 0.12 1
558 51 51 PRO HA H 4.419 0.024 1
559 51 51 PRO HB2 H 1.336 0.024 2
560 51 51 PRO HB3 H 2.092 0.024 2
561 51 51 PRO HG2 H 1.697 0.024 2
562 51 51 PRO HG3 H 0.810 0.024 2
563 51 51 PRO HD2 H 3.700 0.024 2
564 51 51 PRO HD3 H 3.486 0.024 2
565 51 51 PRO C C 176.710 0.13 1
566 51 51 PRO CA C 63.230 0.13 1
567 51 51 PRO CB C 31.807 0.13 1
568 51 51 PRO CG C 25.929 0.13 1
569 51 51 PRO CD C 50.758 0.13 1
570 52 52 TYR H H 7.703 0.024 1
571 52 52 TYR HA H 4.769 0.024 1
572 52 52 TYR HB2 H 2.647 0.024 2
573 52 52 TYR HB3 H 3.876 0.024 2
574 52 52 TYR HD1 H 6.948 0.024 3
575 52 52 TYR HD2 H 6.948 0.024 3
576 52 52 TYR HE1 H 6.786 0.024 3
577 52 52 TYR HE2 H 6.786 0.024 3
578 52 52 TYR C C 173.832 0.13 1
579 52 52 TYR CA C 56.223 0.13 1
580 52 52 TYR CB C 39.569 0.13 1
581 52 52 TYR CD1 C 131.580 0.13 3
582 52 52 TYR CD2 C 131.576 0.13 3
583 52 52 TYR CE1 C 118.830 0.13 3
584 52 52 TYR CE2 C 118.833 0.13 3
585 52 52 TYR N N 114.501 0.12 1
586 53 53 LEU H H 6.841 0.024 1
587 53 53 LEU HA H 5.253 0.024 1
588 53 53 LEU HB2 H 1.779 0.024 2
589 53 53 LEU HB3 H 1.528 0.024 2
590 53 53 LEU HG H 1.536 0.024 1
591 53 53 LEU HD1 H 0.801 0.024 2
592 53 53 LEU HD2 H 0.797 0.024 2
593 53 53 LEU C C 176.245 0.13 1
594 53 53 LEU CA C 53.674 0.13 1
595 53 53 LEU CB C 44.896 0.13 1
596 53 53 LEU CG C 28.248 0.13 1
597 53 53 LEU CD1 C 26.553 0.13 2
598 53 53 LEU CD2 C 25.609 0.13 2
599 53 53 LEU N N 118.170 0.12 1
600 54 54 LYS H H 8.854 0.024 1
601 54 54 LYS HA H 4.936 0.024 1
602 54 54 LYS HB2 H 1.745 0.024 2
603 54 54 LYS HB3 H 1.664 0.024 2
604 54 54 LYS HG2 H 1.343 0.024 2
605 54 54 LYS HG3 H 1.257 0.024 2
606 54 54 LYS HD2 H 1.580 0.024 2
607 54 54 LYS HD3 H 1.690 0.024 2
608 54 54 LYS HE2 H 2.930 0.024 2
609 54 54 LYS HE3 H 2.930 0.024 2
610 54 54 LYS CA C 52.564 0.13 1
611 54 54 LYS CB C 35.167 0.13 1
612 54 54 LYS CG C 24.307 0.13 1
613 54 54 LYS CD C 29.265 0.13 1
614 54 54 LYS CE C 42.292 0.13 1
615 54 54 LYS N N 121.550 0.12 1
616 55 55 PRO HA H 4.583 0.024 1
617 55 55 PRO HB2 H 1.978 0.024 2
618 55 55 PRO HB3 H 1.801 0.024 2
619 55 55 PRO HG2 H 1.631 0.024 2
620 55 55 PRO HG3 H 2.002 0.024 2
621 55 55 PRO HD2 H 3.645 0.024 2
622 55 55 PRO HD3 H 3.645 0.024 2
623 55 55 PRO C C 176.978 0.13 1
624 55 55 PRO CA C 62.459 0.13 1
625 55 55 PRO CB C 32.422 0.13 1
626 55 55 PRO CG C 27.884 0.13 1
627 55 55 PRO CD C 50.754 0.13 1
628 56 56 ARG H H 8.463 0.024 1
629 56 56 ARG HA H 4.554 0.024 1
630 56 56 ARG HB2 H 1.522 0.024 2
631 56 56 ARG HB3 H 1.443 0.024 2
632 56 56 ARG HG2 H 1.534 0.024 2
633 56 56 ARG HG3 H 1.534 0.024 2
634 56 56 ARG HD2 H 2.978 0.024 2
635 56 56 ARG HD3 H 3.167 0.024 2
636 56 56 ARG HE H 7.199 0.024 1
637 56 56 ARG C C 174.747 0.13 1
638 56 56 ARG CA C 54.924 0.13 1
639 56 56 ARG CB C 35.066 0.13 1
640 56 56 ARG CG C 26.677 0.13 1
641 56 56 ARG CD C 43.178 0.13 1
642 56 56 ARG N N 122.093 0.12 1
643 56 56 ARG NE N 82.455 0.12 1
644 57 57 VAL H H 8.779 0.024 1
645 57 57 VAL HA H 4.654 0.024 1
646 57 57 VAL HB H 1.902 0.024 1
647 57 57 VAL HG1 H 0.697 0.024 2
648 57 57 VAL HG2 H 0.857 0.024 2
649 57 57 VAL C C 176.148 0.13 1
650 57 57 VAL CA C 62.113 0.13 1
651 57 57 VAL CB C 32.231 0.13 1
652 57 57 VAL CG1 C 20.990 0.13 2
653 57 57 VAL CG2 C 21.464 0.13 2
654 57 57 VAL N N 125.235 0.12 1
655 58 58 ILE H H 8.620 0.024 1
656 58 58 ILE HA H 4.286 0.024 1
657 58 58 ILE HB H 1.774 0.024 1
658 58 58 ILE HG12 H 1.333 0.024 2
659 58 58 ILE HG13 H 0.968 0.024 2
660 58 58 ILE HG2 H 0.844 0.024 1
661 58 58 ILE HD1 H 0.819 0.024 1
662 58 58 ILE C C 176.457 0.13 1
663 58 58 ILE CA C 60.506 0.13 1
664 58 58 ILE CB C 40.133 0.13 1
665 58 58 ILE CG1 C 27.081 0.13 1
666 58 58 ILE CG2 C 17.040 0.13 1
667 58 58 ILE CD1 C 13.558 0.13 1
668 58 58 ILE N N 127.398 0.12 1
669 59 59 GLU H H 9.605 0.024 1
670 59 59 GLU HA H 3.834 0.024 1
671 59 59 GLU HB2 H 2.224 0.024 2
672 59 59 GLU HB3 H 1.957 0.024 2
673 59 59 GLU HG2 H 2.302 0.024 2
674 59 59 GLU HG3 H 2.224 0.024 2
675 59 59 GLU C C 176.740 0.13 1
676 59 59 GLU CA C 56.843 0.13 1
677 59 59 GLU CB C 27.563 0.13 1
678 59 59 GLU CG C 36.418 0.13 1
679 59 59 GLU N N 128.132 0.12 1
680 60 60 GLY H H 8.199 0.024 1
681 60 60 GLY HA2 H 4.133 0.024 2
682 60 60 GLY HA3 H 3.469 0.024 2
683 60 60 GLY C C 174.255 0.13 1
684 60 60 GLY CA C 45.448 0.13 1
685 60 60 GLY N N 101.543 0.12 1
686 61 61 VAL H H 7.938 0.024 1
687 61 61 VAL HA H 4.280 0.024 1
688 61 61 VAL HB H 2.191 0.024 1
689 61 61 VAL HG1 H 0.984 0.024 2
690 61 61 VAL HG2 H 1.057 0.024 2
691 61 61 VAL C C 176.236 0.13 1
692 61 61 VAL CA C 61.019 0.13 1
693 61 61 VAL CB C 33.815 0.13 1
694 61 61 VAL CG1 C 21.501 0.13 2
695 61 61 VAL CG2 C 21.772 0.13 2
696 61 61 VAL N N 121.782 0.12 1
697 62 62 ARG H H 9.382 0.024 1
698 62 62 ARG HA H 4.356 0.024 1
699 62 62 ARG HB2 H 1.860 0.024 2
700 62 62 ARG HB3 H 1.970 0.024 2
701 62 62 ARG HG2 H 1.877 0.024 2
702 62 62 ARG HG3 H 1.513 0.024 2
703 62 62 ARG HD2 H 3.217 0.024 2
704 62 62 ARG HD3 H 3.217 0.024 2
705 62 62 ARG HE H 7.310 0.024 1
706 62 62 ARG C C 175.649 0.13 1
707 62 62 ARG CA C 58.821 0.13 1
708 62 62 ARG CB C 29.644 0.13 1
709 62 62 ARG CG C 28.138 0.13 1
710 62 62 ARG CD C 43.260 0.13 1
711 62 62 ARG N N 129.000 0.12 1
712 62 62 ARG NE N 83.557 0.12 1
713 63 63 CYS H H 8.750 0.024 1
714 63 63 CYS HA H 5.162 0.024 1
715 63 63 CYS HB2 H 2.782 0.024 2
716 63 63 CYS HB3 H 2.782 0.024 2
717 63 63 CYS C C 172.001 0.13 1
718 63 63 CYS CA C 57.042 0.13 1
719 63 63 CYS CB C 32.294 0.13 1
720 63 63 CYS N N 120.370 0.12 1
721 64 64 LEU H H 9.003 0.024 1
722 64 64 LEU HA H 4.619 0.024 1
723 64 64 LEU HB2 H 2.038 0.024 2
724 64 64 LEU HB3 H 0.978 0.024 2
725 64 64 LEU HG H 1.293 0.024 1
726 64 64 LEU HD1 H 0.812 0.024 2
727 64 64 LEU HD2 H 0.607 0.024 2
728 64 64 LEU C C 174.286 0.13 1
729 64 64 LEU CA C 53.209 0.13 1
730 64 64 LEU CB C 46.393 0.13 1
731 64 64 LEU CG C 26.904 0.13 1
732 64 64 LEU CD1 C 27.128 0.13 2
733 64 64 LEU CD2 C 23.683 0.13 2
734 64 64 LEU N N 122.167 0.12 1
735 65 65 ALA H H 9.034 0.024 1
736 65 65 ALA HA H 5.027 0.024 1
737 65 65 ALA HB H 1.279 0.024 1
738 65 65 ALA C C 176.807 0.13 1
739 65 65 ALA CA C 51.194 0.13 1
740 65 65 ALA CB C 19.724 0.13 1
741 65 65 ALA N N 130.045 0.12 1
742 66 66 VAL H H 9.368 0.024 1
743 66 66 VAL HA H 4.753 0.024 1
744 66 66 VAL HB H 2.083 0.024 1
745 66 66 VAL HG1 H 0.852 0.024 2
746 66 66 VAL HG2 H 0.764 0.024 2
747 66 66 VAL C C 175.334 0.13 1
748 66 66 VAL CA C 60.404 0.13 1
749 66 66 VAL CB C 34.219 0.13 1
750 66 66 VAL CG1 C 21.139 0.13 2
751 66 66 VAL CG2 C 20.875 0.13 2
752 66 66 VAL N N 123.278 0.12 1
753 67 67 ASP H H 9.016 0.024 1
754 67 67 ASP HA H 4.707 0.024 1
755 67 67 ASP HB2 H 2.999 0.024 2
756 67 67 ASP HB3 H 2.770 0.024 2
757 67 67 ASP C C 178.271 0.13 1
758 67 67 ASP CA C 53.941 0.13 1
759 67 67 ASP CB C 42.851 0.13 1
760 67 67 ASP N N 127.118 0.12 1
761 68 68 LEU H H 8.430 0.024 1
762 68 68 LEU HA H 3.740 0.024 1
763 68 68 LEU HB2 H 1.617 0.024 2
764 68 68 LEU HB3 H 1.503 0.024 2
765 68 68 LEU HG H 1.586 0.024 1
766 68 68 LEU HD1 H 0.792 0.024 2
767 68 68 LEU HD2 H 0.792 0.024 2
768 68 68 LEU C C 179.348 0.13 1
769 68 68 LEU CA C 57.222 0.13 1
770 68 68 LEU CB C 40.302 0.13 1
771 68 68 LEU CG C 28.196 0.13 1
772 68 68 LEU CD1 C 25.418 0.13 2
773 68 68 LEU CD2 C 23.680 0.13 2
774 68 68 LEU N N 126.781 0.12 1
775 69 69 LYS H H 9.391 0.024 1
776 69 69 LYS HA H 3.917 0.024 1
777 69 69 LYS HB2 H 1.174 0.024 2
778 69 69 LYS HB3 H 1.109 0.024 2
779 69 69 LYS HG2 H 1.420 0.024 2
780 69 69 LYS HG3 H 1.341 0.024 2
781 69 69 LYS HD2 H 1.686 0.024 2
782 69 69 LYS HD3 H 1.686 0.024 2
783 69 69 LYS HE3 H 2.966 0.024 2
784 69 69 LYS C C 179.428 0.13 1
785 69 69 LYS CA C 58.862 0.13 1
786 69 69 LYS CB C 31.416 0.13 1
787 69 69 LYS CG C 25.633 0.13 1
788 69 69 LYS CD C 28.748 0.13 1
789 69 69 LYS CE C 42.118 0.13 1
790 69 69 LYS N N 123.969 0.12 1
791 70 70 LEU H H 8.316 0.024 1
792 70 70 LEU HA H 3.806 0.024 1
793 70 70 LEU HB2 H 1.611 0.024 2
794 70 70 LEU HB3 H 1.553 0.024 2
795 70 70 LEU HG H 1.770 0.024 1
796 70 70 LEU HD1 H 0.780 0.024 2
797 70 70 LEU HD2 H 1.102 0.024 2
798 70 70 LEU C C 177.654 0.13 1
799 70 70 LEU CA C 57.161 0.13 1
800 70 70 LEU CB C 42.302 0.13 1
801 70 70 LEU CG C 26.930 0.13 1
802 70 70 LEU CD1 C 26.642 0.13 2
803 70 70 LEU CD2 C 24.310 0.13 2
804 70 70 LEU N N 119.450 0.12 1
805 71 71 LYS H H 6.934 0.024 1
806 71 71 LYS HA H 3.241 0.024 1
807 71 71 LYS HB2 H 1.267 0.024 2
808 71 71 LYS HB3 H 0.267 0.024 2
809 71 71 LYS HG2 H 0.872 0.024 2
810 71 71 LYS HG3 H 0.926 0.024 2
811 71 71 LYS HD2 H 1.200 0.024 2
812 71 71 LYS HD3 H 1.200 0.024 2
813 71 71 LYS HE2 H 2.800 0.024 2
814 71 71 LYS HE3 H 2.800 0.024 2
815 71 71 LYS C C 176.836 0.13 1
816 71 71 LYS CA C 59.217 0.13 1
817 71 71 LYS CB C 31.807 0.13 1
818 71 71 LYS CG C 24.593 0.13 1
819 71 71 LYS CD C 29.461 0.13 1
820 71 71 LYS CE C 41.772 0.13 1
821 71 71 LYS N N 115.208 0.12 1
822 72 72 ASP H H 6.826 0.024 1
823 72 72 ASP HA H 4.396 0.024 1
824 72 72 ASP HB2 H 2.624 0.024 2
825 72 72 ASP HB3 H 2.669 0.024 2
826 72 72 ASP C C 178.135 0.13 1
827 72 72 ASP CA C 55.941 0.13 1
828 72 72 ASP CB C 41.569 0.13 1
829 72 72 ASP N N 113.400 0.12 1
830 73 73 THR H H 7.543 0.024 1
831 73 73 THR HA H 4.299 0.024 1
832 73 73 THR HB H 4.759 0.024 1
833 73 73 THR HG2 H 1.288 0.024 1
834 73 73 THR C C 175.864 0.13 1
835 73 73 THR CA C 63.074 0.13 1
836 73 73 THR CB C 70.864 0.13 1
837 73 73 THR CG2 C 22.065 0.13 1
838 73 73 THR N N 107.909 0.12 1
839 74 74 ASN H H 8.436 0.024 1
840 74 74 ASN HA H 5.071 0.024 1
841 74 74 ASN HB2 H 3.125 0.024 2
842 74 74 ASN HB3 H 2.761 0.024 2
843 74 74 ASN HD21 H 7.636 0.024 2
844 74 74 ASN HD22 H 7.337 0.024 2
845 74 74 ASN CA C 50.479 0.13 1
846 74 74 ASN CB C 37.609 0.13 1
847 74 74 ASN N N 118.100 0.12 1
848 74 74 ASN ND2 N 108.529 0.12 1
849 75 75 PRO HA H 4.332 0.024 1
850 75 75 PRO HB2 H 2.553 0.024 2
851 75 75 PRO HB3 H 2.058 0.024 2
852 75 75 PRO HG2 H 2.174 0.024 2
853 75 75 PRO HG3 H 2.174 0.024 2
854 75 75 PRO HD2 H 3.311 0.024 2
855 75 75 PRO HD3 H 3.828 0.024 2
856 75 75 PRO C C 179.575 0.13 1
857 75 75 PRO CA C 65.770 0.13 1
858 75 75 PRO CB C 31.309 0.13 1
859 75 75 PRO CG C 27.400 0.13 1
860 75 75 PRO CD C 49.746 0.13 1
861 76 76 GLU H H 8.738 0.024 1
862 76 76 GLU HA H 4.234 0.024 1
863 76 76 GLU HB2 H 2.045 0.024 2
864 76 76 GLU HB3 H 2.134 0.024 2
865 76 76 GLU HG2 H 2.368 0.024 2
866 76 76 GLU HG3 H 2.368 0.024 2
867 76 76 GLU C C 179.310 0.13 1
868 76 76 GLU CA C 59.488 0.13 1
869 76 76 GLU CB C 29.127 0.13 1
870 76 76 GLU CG C 36.453 0.13 1
871 76 76 GLU N N 116.825 0.12 1
872 77 77 GLY H H 7.763 0.024 1
873 77 77 GLY HA2 H 4.051 0.024 2
874 77 77 GLY HA3 H 3.682 0.024 2
875 77 77 GLY C C 176.692 0.13 1
876 77 77 GLY CA C 47.511 0.13 1
877 77 77 GLY N N 108.569 0.12 1
878 78 78 PHE H H 8.805 0.024 1
879 78 78 PHE HA H 3.865 0.024 1
880 78 78 PHE HB2 H 3.182 0.024 2
881 78 78 PHE HB3 H 2.688 0.024 2
882 78 78 PHE HD1 H 7.057 0.024 3
883 78 78 PHE HD2 H 7.057 0.024 3
884 78 78 PHE HE1 H 7.158 0.024 3
885 78 78 PHE HE2 H 7.158 0.024 3
886 78 78 PHE HZ H 7.079 0.024 1
887 78 78 PHE C C 176.760 0.13 1
888 78 78 PHE CA C 62.545 0.13 1
889 78 78 PHE CB C 39.441 0.13 1
890 78 78 PHE CD1 C 131.410 0.13 3
891 78 78 PHE CD2 C 131.411 0.13 3
892 78 78 PHE CE1 C 131.288 0.13 3
893 78 78 PHE CE2 C 131.288 0.13 3
894 78 78 PHE CZ C 130.098 0.13 1
895 78 78 PHE N N 122.602 0.12 1
896 79 79 ASN H H 8.510 0.024 1
897 79 79 ASN HA H 4.259 0.024 1
898 79 79 ASN HB2 H 3.016 0.024 2
899 79 79 ASN HB3 H 2.809 0.024 2
900 79 79 ASN HD21 H 7.664 0.024 2
901 79 79 ASN HD22 H 6.957 0.024 2
902 79 79 ASN C C 178.956 0.13 1
903 79 79 ASN CA C 56.183 0.13 1
904 79 79 ASN CB C 37.921 0.13 1
905 79 79 ASN N N 117.138 0.12 1
906 79 79 ASN ND2 N 111.047 0.12 1
907 80 80 GLN H H 8.281 0.024 1
908 80 80 GLN HA H 4.119 0.024 1
909 80 80 GLN HB2 H 2.343 0.024 2
910 80 80 GLN HB3 H 2.228 0.024 2
911 80 80 GLN HG2 H 2.652 0.024 2
912 80 80 GLN HG3 H 2.532 0.024 2
913 80 80 GLN HE21 H 7.606 0.024 2
914 80 80 GLN HE22 H 6.792 0.024 2
915 80 80 GLN C C 179.492 0.13 1
916 80 80 GLN CA C 59.087 0.13 1
917 80 80 GLN CB C 28.213 0.13 1
918 80 80 GLN CG C 33.965 0.13 1
919 80 80 GLN N N 119.709 0.12 1
920 80 80 GLN NE2 N 110.779 0.12 1
921 81 81 LEU H H 7.890 0.024 1
922 81 81 LEU HA H 4.090 0.024 1
923 81 81 LEU HB2 H 1.654 0.024 2
924 81 81 LEU HB3 H 1.423 0.024 2
925 81 81 LEU HG H 1.520 0.024 1
926 81 81 LEU HD1 H 0.690 0.024 2
927 81 81 LEU HD2 H 0.618 0.024 2
928 81 81 LEU C C 178.918 0.13 1
929 81 81 LEU CA C 58.153 0.13 1
930 81 81 LEU CB C 41.479 0.13 1
931 81 81 LEU CG C 26.810 0.13 1
932 81 81 LEU CD1 C 24.669 0.13 2
933 81 81 LEU CD2 C 25.753 0.13 2
934 81 81 LEU N N 123.001 0.12 1
935 82 82 MET H H 7.921 0.024 1
936 82 82 MET HA H 4.367 0.024 1
937 82 82 MET HB2 H 1.966 0.024 2
938 82 82 MET HB3 H 1.689 0.024 2
939 82 82 MET HG2 H 2.251 0.024 2
940 82 82 MET HG3 H 1.522 0.024 2
941 82 82 MET HE H 1.594 0.024 1
942 82 82 MET C C 180.099 0.13 1
943 82 82 MET CA C 55.935 0.13 1
944 82 82 MET CB C 30.956 0.13 1
945 82 82 MET CG C 32.284 0.13 1
946 82 82 MET CE C 17.285 0.13 1
947 82 82 MET N N 115.610 0.12 1
948 83 83 HIS H H 8.513 0.024 1
949 83 83 HIS HA H 4.355 0.024 1
950 83 83 HIS HB2 H 3.312 0.024 2
951 83 83 HIS HB3 H 3.347 0.024 2
952 83 83 HIS HD2 H 7.254 0.024 1
953 83 83 HIS HE1 H 8.401 0.024 1
954 83 83 HIS C C 176.746 0.13 1
955 83 83 HIS CA C 58.993 0.13 1
956 83 83 HIS CB C 28.306 0.13 1
957 83 83 HIS CD2 C 119.932 0.13 1
958 83 83 HIS CE1 C 136.739 0.13 1
959 83 83 HIS N N 119.504 0.12 1
960 84 84 PHE H H 8.198 0.024 1
961 84 84 PHE HA H 4.150 0.024 1
962 84 84 PHE HB2 H 3.299 0.024 2
963 84 84 PHE HB3 H 3.417 0.024 2
964 84 84 PHE HD1 H 6.998 0.024 3
965 84 84 PHE HD2 H 6.998 0.024 3
966 84 84 PHE HE1 H 6.929 0.024 3
967 84 84 PHE HE2 H 6.929 0.024 3
968 84 84 PHE HZ H 7.033 0.024 1
969 84 84 PHE C C 178.474 0.13 1
970 84 84 PHE CA C 61.450 0.13 1
971 84 84 PHE CB C 38.522 0.13 1
972 84 84 PHE CD1 C 131.531 0.13 3
973 84 84 PHE CD2 C 131.530 0.13 3
974 84 84 PHE CE1 C 131.694 0.13 3
975 84 84 PHE CE2 C 131.690 0.13 3
976 84 84 PHE CZ C 129.744 0.13 1
977 84 84 PHE N N 120.805 0.12 1
978 85 85 ALA H H 8.137 0.024 1
979 85 85 ALA HA H 3.522 0.024 1
980 85 85 ALA HB H 1.419 0.024 1
981 85 85 ALA C C 179.455 0.13 1
982 85 85 ALA CA C 55.019 0.13 1
983 85 85 ALA CB C 18.119 0.13 1
984 85 85 ALA N N 120.694 0.12 1
985 86 86 THR H H 8.438 0.024 1
986 86 86 THR HA H 3.962 0.024 1
987 86 86 THR HB H 4.161 0.024 1
988 86 86 THR HG2 H 1.186 0.024 1
989 86 86 THR C C 179.371 0.13 1
990 86 86 THR CA C 65.761 0.13 1
991 86 86 THR CB C 68.302 0.13 1
992 86 86 THR CG2 C 21.613 0.13 1
993 86 86 THR N N 111.760 0.12 1
994 87 87 GLU H H 8.834 0.024 1
995 87 87 GLU HA H 3.894 0.024 1
996 87 87 GLU HB2 H 1.824 0.024 2
997 87 87 GLU HB3 H 1.730 0.024 2
998 87 87 GLU HG2 H 2.014 0.024 2
999 87 87 GLU HG3 H 2.014 0.024 2
1000 87 87 GLU C C 177.992 0.13 1
1001 87 87 GLU CA C 59.036 0.13 1
1002 87 87 GLU CB C 29.321 0.13 1
1003 87 87 GLU CG C 36.180 0.13 1
1004 87 87 GLU N N 123.532 0.12 1
1005 88 88 ASN H H 6.829 0.024 1
1006 88 88 ASN HA H 4.452 0.024 1
1007 88 88 ASN HB2 H 2.060 0.024 2
1008 88 88 ASN HB3 H 1.432 0.024 2
1009 88 88 ASN HD21 H 6.786 0.024 2
1010 88 88 ASN HD22 H 5.954 0.024 2
1011 88 88 ASN C C 172.456 0.13 1
1012 88 88 ASN CA C 53.529 0.13 1
1013 88 88 ASN CB C 39.043 0.13 1
1014 88 88 ASN N N 111.752 0.12 1
1015 88 88 ASN ND2 N 117.181 0.12 1
1016 89 89 GLN H H 7.478 0.024 1
1017 89 89 GLN HA H 3.772 0.024 1
1018 89 89 GLN HB2 H 2.206 0.024 2
1019 89 89 GLN HB3 H 2.237 0.024 2
1020 89 89 GLN HG2 H 2.201 0.024 2
1021 89 89 GLN HG3 H 2.201 0.024 2
1022 89 89 GLN HE21 H 7.522 0.024 2
1023 89 89 GLN HE22 H 6.763 0.024 2
1024 89 89 GLN C C 174.500 0.13 1
1025 89 89 GLN CA C 56.136 0.13 1
1026 89 89 GLN CB C 25.936 0.13 1
1027 89 89 GLN CG C 34.059 0.13 1
1028 89 89 GLN N N 113.496 0.12 1
1029 89 89 GLN NE2 N 111.580 0.12 1
1030 90 90 LEU H H 7.997 0.024 1
1031 90 90 LEU HA H 4.190 0.024 1
1032 90 90 LEU HB2 H 1.671 0.024 2
1033 90 90 LEU HB3 H 1.053 0.024 2
1034 90 90 LEU HG H 0.605 0.024 1
1035 90 90 LEU HD1 H -0.453 0.024 2
1036 90 90 LEU HD2 H -0.226 0.024 2
1037 90 90 LEU C C 177.628 0.13 1
1038 90 90 LEU CA C 54.459 0.13 1
1039 90 90 LEU CB C 39.948 0.13 1
1040 90 90 LEU CG C 26.445 0.13 1
1041 90 90 LEU CD1 C 24.407 0.13 2
1042 90 90 LEU CD2 C 20.137 0.13 2
1043 90 90 LEU N N 115.347 0.12 1
1044 91 91 ASN H H 7.958 0.024 1
1045 91 91 ASN HA H 4.437 0.024 1
1046 91 91 ASN HB2 H 2.771 0.024 2
1047 91 91 ASN HB3 H 2.458 0.024 2
1048 91 91 ASN HD21 H 7.329 0.024 2
1049 91 91 ASN HD22 H 6.786 0.024 2
1050 91 91 ASN C C 173.682 0.13 1
1051 91 91 ASN CA C 53.637 0.13 1
1052 91 91 ASN CB C 39.410 0.13 1
1053 91 91 ASN N N 118.571 0.12 1
1054 91 91 ASN ND2 N 112.894 0.12 1
1055 92 92 ILE H H 7.868 0.024 1
1056 92 92 ILE HA H 4.913 0.024 1
1057 92 92 ILE HB H 1.759 0.024 1
1058 92 92 ILE HG12 H 1.678 0.024 2
1059 92 92 ILE HG13 H 0.856 0.024 2
1060 92 92 ILE HG2 H 0.721 0.024 1
1061 92 92 ILE HD1 H 0.695 0.024 1
1062 92 92 ILE C C 174.878 0.13 1
1063 92 92 ILE CA C 59.552 0.13 1
1064 92 92 ILE CB C 39.445 0.13 1
1065 92 92 ILE CG1 C 27.292 0.13 1
1066 92 92 ILE CG2 C 18.709 0.13 1
1067 92 92 ILE CD1 C 13.575 0.13 1
1068 92 92 ILE N N 122.536 0.12 1
1069 93 93 LEU H H 9.388 0.024 1
1070 93 93 LEU HA H 5.403 0.024 1
1071 93 93 LEU HB2 H 1.395 0.024 2
1072 93 93 LEU HB3 H 1.712 0.024 2
1073 93 93 LEU HG H 1.397 0.024 1
1074 93 93 LEU HD1 H 0.718 0.024 2
1075 93 93 LEU HD2 H 0.586 0.024 2
1076 93 93 LEU C C 177.855 0.13 1
1077 93 93 LEU CA C 52.034 0.13 1
1078 93 93 LEU CB C 45.831 0.13 1
1079 93 93 LEU CG C 27.110 0.13 1
1080 93 93 LEU CD1 C 25.456 0.13 2
1081 93 93 LEU CD2 C 22.838 0.13 2
1082 93 93 LEU N N 124.813 0.12 1
1083 94 94 ASP H H 8.624 0.024 1
1084 94 94 ASP HA H 4.837 0.024 1
1085 94 94 ASP HB2 H 2.644 0.024 2
1086 94 94 ASP HB3 H 3.477 0.024 2
1087 94 94 ASP C C 177.907 0.13 1
1088 94 94 ASP CA C 51.938 0.13 1
1089 94 94 ASP CB C 41.291 0.13 1
1090 94 94 ASP N N 117.545 0.12 1
1091 95 95 ALA H H 8.269 0.024 1
1092 95 95 ALA HA H 3.998 0.024 1
1093 95 95 ALA HB H 1.522 0.024 1
1094 95 95 ALA C C 178.716 0.13 1
1095 95 95 ALA CA C 54.249 0.13 1
1096 95 95 ALA CB C 19.139 0.13 1
1097 95 95 ALA N N 117.579 0.12 1
1098 96 96 GLU H H 7.921 0.024 1
1099 96 96 GLU HA H 4.345 0.024 1
1100 96 96 GLU HB2 H 2.231 0.024 2
1101 96 96 GLU HB3 H 1.944 0.024 2
1102 96 96 GLU HG2 H 2.219 0.024 2
1103 96 96 GLU HG3 H 2.219 0.024 2
1104 96 96 GLU C C 176.889 0.13 1
1105 96 96 GLU CA C 55.695 0.13 1
1106 96 96 GLU CB C 30.177 0.13 1
1107 96 96 GLU CG C 37.029 0.13 1
1108 96 96 GLU N N 115.005 0.12 1
1109 97 97 GLY H H 8.114 0.024 1
1110 97 97 GLY HA2 H 4.234 0.024 2
1111 97 97 GLY HA3 H 3.488 0.024 2
1112 97 97 GLY C C 174.389 0.13 1
1113 97 97 GLY CA C 45.529 0.13 1
1114 97 97 GLY N N 106.974 0.12 1
1115 98 98 ASN H H 8.768 0.024 1
1116 98 98 ASN HA H 4.729 0.024 1
1117 98 98 ASN HB2 H 2.865 0.024 2
1118 98 98 ASN HB3 H 2.575 0.024 2
1119 98 98 ASN HD21 H 8.712 0.024 2
1120 98 98 ASN HD22 H 7.178 0.024 2
1121 98 98 ASN C C 175.411 0.13 1
1122 98 98 ASN CA C 52.543 0.13 1
1123 98 98 ASN CB C 39.103 0.13 1
1124 98 98 ASN N N 119.880 0.12 1
1125 98 98 ASN ND2 N 119.080 0.12 1
1126 99 99 SER H H 8.700 0.024 1
1127 99 99 SER HA H 4.814 0.024 1
1128 99 99 SER HB2 H 3.836 0.024 2
1129 99 99 SER HB3 H 3.836 0.024 2
1130 99 99 SER C C 175.358 0.13 1
1131 99 99 SER CA C 59.105 0.13 1
1132 99 99 SER CB C 63.100 0.13 1
1133 99 99 SER N N 116.788 0.12 1
1134 100 100 ILE H H 8.718 0.024 1
1135 100 100 ILE HA H 4.502 0.024 1
1136 100 100 ILE HB H 1.672 0.024 1
1137 100 100 ILE HG12 H 0.928 0.024 2
1138 100 100 ILE HG13 H 1.211 0.024 2
1139 100 100 ILE HG2 H 0.821 0.024 1
1140 100 100 ILE HD1 H 0.713 0.024 1
1141 100 100 ILE C C 174.376 0.13 1
1142 100 100 ILE CA C 59.639 0.13 1
1143 100 100 ILE CB C 41.124 0.13 1
1144 100 100 ILE CG1 C 26.296 0.13 1
1145 100 100 ILE CG2 C 17.780 0.13 1
1146 100 100 ILE CD1 C 14.043 0.13 1
1147 100 100 ILE N N 123.126 0.12 1
1148 101 101 ASP H H 8.375 0.024 1
1149 101 101 ASP HA H 4.630 0.024 1
1150 101 101 ASP HB2 H 2.643 0.024 2
1151 101 101 ASP HB3 H 2.708 0.024 2
1152 101 101 ASP C C 177.387 0.13 1
1153 101 101 ASP CA C 53.350 0.13 1
1154 101 101 ASP CB C 42.642 0.13 1
1155 101 101 ASP N N 122.295 0.12 1
1156 102 102 ALA H H 8.730 0.024 1
1157 102 102 ALA HA H 3.827 0.024 1
1158 102 102 ALA HB H 1.314 0.024 1
1159 102 102 ALA C C 179.527 0.13 1
1160 102 102 ALA CA C 55.079 0.13 1
1161 102 102 ALA CB C 18.627 0.13 1
1162 102 102 ALA N N 125.331 0.12 1
1163 103 103 ALA H H 8.507 0.024 1
1164 103 103 ALA HA H 4.227 0.024 1
1165 103 103 ALA HB H 1.403 0.024 1
1166 103 103 ALA C C 179.650 0.13 1
1167 103 103 ALA CA C 53.978 0.13 1
1168 103 103 ALA CB C 18.408 0.13 1
1169 103 103 ALA N N 118.009 0.12 1
1170 104 104 GLN H H 7.918 0.024 1
1171 104 104 GLN HA H 4.217 0.024 1
1172 104 104 GLN HB2 H 2.191 0.024 2
1173 104 104 GLN HB3 H 2.191 0.024 2
1174 104 104 GLN HG2 H 2.415 0.024 2
1175 104 104 GLN HG3 H 2.415 0.024 2
1176 104 104 GLN HE21 H 6.909 0.024 2
1177 104 104 GLN HE22 H 7.626 0.024 2
1178 104 104 GLN C C 178.028 0.13 1
1179 104 104 GLN CA C 57.086 0.13 1
1180 104 104 GLN CB C 29.614 0.13 1
1181 104 104 GLN CG C 35.085 0.13 1
1182 104 104 GLN N N 114.206 0.12 1
1183 104 104 GLN NE2 N 111.395 0.12 1
1184 105 105 VAL H H 7.659 0.024 1
1185 105 105 VAL HA H 4.118 0.024 1
1186 105 105 VAL HB H 2.338 0.024 1
1187 105 105 VAL HG1 H 0.993 0.024 2
1188 105 105 VAL HG2 H 1.024 0.024 2
1189 105 105 VAL C C 176.614 0.13 1
1190 105 105 VAL CA C 63.362 0.13 1
1191 105 105 VAL CB C 32.458 0.13 1
1192 105 105 VAL CG1 C 22.015 0.13 2
1193 105 105 VAL CG2 C 21.400 0.13 2
1194 105 105 VAL N N 114.030 0.12 1
1195 106 106 THR H H 7.687 0.024 1
1196 106 106 THR HA H 4.324 0.024 1
1197 106 106 THR HB H 4.309 0.024 1
1198 106 106 THR HG2 H 1.205 0.024 1
1199 106 106 THR C C 174.792 0.13 1
1200 106 106 THR CA C 62.504 0.13 1
1201 106 106 THR CB C 69.170 0.13 1
1202 106 106 THR CG2 C 21.694 0.13 1
1203 106 106 THR N N 110.556 0.12 1
1204 107 107 GLU H H 7.825 0.024 1
1205 107 107 GLU HA H 4.375 0.024 1
1206 107 107 GLU HB2 H 2.146 0.024 2
1207 107 107 GLU HB3 H 1.950 0.024 2
1208 107 107 GLU HG2 H 2.230 0.024 2
1209 107 107 GLU HG3 H 2.295 0.024 2
1210 107 107 GLU C C 176.057 0.13 1
1211 107 107 GLU CA C 56.107 0.13 1
1212 107 107 GLU CB C 30.199 0.13 1
1213 107 107 GLU CG C 36.137 0.13 1
1214 107 107 GLU N N 120.429 0.12 1
1215 108 108 ILE H H 7.475 0.024 1
1216 108 108 ILE HA H 3.936 0.024 1
1217 108 108 ILE HB H 1.804 0.024 1
1218 108 108 ILE HG12 H 1.506 0.024 2
1219 108 108 ILE HG13 H 1.146 0.024 2
1220 108 108 ILE HG2 H 0.900 0.024 1
1221 108 108 ILE HD1 H 0.854 0.024 1
1222 108 108 ILE CA C 63.458 0.13 1
1223 108 108 ILE CB C 39.165 0.13 1
1224 108 108 ILE CG1 C 27.513 0.13 1
1225 108 108 ILE CG2 C 18.134 0.13 1
1226 108 108 ILE CD1 C 14.046 0.13 1
1227 108 108 ILE N N 124.901 0.12 1
stop_
save_