data_25885
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
RBM24 RRM domain
;
_BMRB_accession_number 25885
_BMRB_flat_file_name bmr25885.str
_Entry_type original
_Submission_date 2015-11-09
_Accession_date 2015-11-09
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'RRM domain from human RBM24'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Upadhyay 'Santosh Kumar' . .
2 Mackereth Cameron D. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 594
"13C chemical shifts" 450
"15N chemical shifts" 104
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2016-10-19 update BMRB 'update entry citation'
2016-06-15 original author 'original release'
stop_
_Original_release_date 2016-06-15
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
1H, 15N and 13C backbone and side chain resonance assignments of the RRM domain from human RBM24
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 27002326
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Upadhyay 'Santosh Kumar' . .
2 Mackereth Cameron D. .
stop_
_Journal_abbreviation 'Biomol. NMR Assign.'
_Journal_volume 10
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 237
_Page_last 240
_Year 2016
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name RBM24
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
RBM24 $RBM24
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_RBM24
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common RBM24
_Molecular_mass .
_Mol_thiol_state 'all free'
loop_
_Biological_function
'RNA-binding protein'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 105
_Mol_residue_sequence
;
GAMAHTTQKDTTYTKIFVGG
LPYHTTDASLRKYFEVFGEI
EEAVVITDRQTGKSRGYGFV
TMADRAAAERACKDPNPIID
GRKANVNLAYLGAKPRIMQP
GFAFG
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -1 GLY 2 0 ALA 3 1 MET 4 2 ALA 5 3 HIS
6 4 THR 7 5 THR 8 6 GLN 9 7 LYS 10 8 ASP
11 9 THR 12 10 THR 13 11 TYR 14 12 THR 15 13 LYS
16 14 ILE 17 15 PHE 18 16 VAL 19 17 GLY 20 18 GLY
21 19 LEU 22 20 PRO 23 21 TYR 24 22 HIS 25 23 THR
26 24 THR 27 25 ASP 28 26 ALA 29 27 SER 30 28 LEU
31 29 ARG 32 30 LYS 33 31 TYR 34 32 PHE 35 33 GLU
36 34 VAL 37 35 PHE 38 36 GLY 39 37 GLU 40 38 ILE
41 39 GLU 42 40 GLU 43 41 ALA 44 42 VAL 45 43 VAL
46 44 ILE 47 45 THR 48 46 ASP 49 47 ARG 50 48 GLN
51 49 THR 52 50 GLY 53 51 LYS 54 52 SER 55 53 ARG
56 54 GLY 57 55 TYR 58 56 GLY 59 57 PHE 60 58 VAL
61 59 THR 62 60 MET 63 61 ALA 64 62 ASP 65 63 ARG
66 64 ALA 67 65 ALA 68 66 ALA 69 67 GLU 70 68 ARG
71 69 ALA 72 70 CYS 73 71 LYS 74 72 ASP 75 73 PRO
76 74 ASN 77 75 PRO 78 76 ILE 79 77 ILE 80 78 ASP
81 79 GLY 82 80 ARG 83 81 LYS 84 82 ALA 85 83 ASN
86 84 VAL 87 85 ASN 88 86 LEU 89 87 ALA 90 88 TYR
91 89 LEU 92 90 GLY 93 91 ALA 94 92 LYS 95 93 PRO
96 94 ARG 97 95 ILE 98 96 MET 99 97 GLN 100 98 PRO
101 99 GLY 102 100 PHE 103 101 ALA 104 102 PHE 105 103 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
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
SP Q9BX46 RBM24 . . . . .
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$RBM24 humans 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$RBM24 'recombinant technology' . Escherichia coli pLysY 'modified pET9d'
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
$RBM24 0.25 mM '[U-99% 13C; U-99% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 300 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$RBM24 0.2 mM '[U-10% 13C; U-99% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 300 mM 'natural abundance'
D2O 100 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
Visualisation
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2014
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version 3.115
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
'peak picking'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details '5 mm CPTCI 1H-13C/15N/D Z-GRD'
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details '5 mm PATXI 1H-13C/15N/D Z-GRD'
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_aliphatic_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aliphatic'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_aromatic_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aromatic'
_Sample_label $sample_1
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNHA_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNHA'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_HCC(CO)-TOCSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCC(CO)-TOCSY'
_Sample_label $sample_1
save_
save_3D_HCC(CO)NH-TOCSY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCC(CO)NH-TOCSY'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_CT_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC CT'
_Sample_label $sample_2
save_
save_D_DQF-COSY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name 'D DQF-COSY'
_Sample_label $sample_2
save_
save_2D_1H-1H_NOESY_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_2
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' 320 . mM
pH 6.5 . 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
DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530
water H 1 protons ppm 4.802 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
'2D 1H-13C HSQC aromatic'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D HNCO'
'3D HNCA'
'3D HCCH-TOCSY'
'3D HCC(CO)-TOCSY'
'3D HCC(CO)NH-TOCSY'
'2D 1H-13C HSQC CT'
'D DQF-COSY'
'2D 1H-1H NOESY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name RBM24
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 3 MET H H 8.465 0.02 1
2 1 3 MET HA H 4.453 0.02 1
3 1 3 MET HB2 H 1.933 0.02 2
4 1 3 MET HB3 H 2.013 0.02 2
5 1 3 MET HG2 H 2.566 0.02 1
6 1 3 MET HG3 H 2.566 0.02 1
7 1 3 MET HE H 2.104 0.02 1
8 1 3 MET C C 175.895 0.2 1
9 1 3 MET CA C 55.424 0.2 1
10 1 3 MET CB C 32.931 0.2 1
11 1 3 MET CG C 31.956 0.2 1
12 1 3 MET CE C 16.766 0.2 1
13 1 3 MET N N 119.886 0.2 1
14 2 4 ALA H H 8.326 0.02 1
15 2 4 ALA HA H 4.285 0.02 1
16 2 4 ALA HB H 1.352 0.02 1
17 2 4 ALA CA C 51.759 0.2 1
18 2 4 ALA CB C 19.213 0.2 1
19 2 4 ALA N N 125.48 0.2 1
20 3 5 HIS H H 7.464 0.02 1
21 3 5 HIS HA H 4.659 0.02 1
22 3 5 HIS HB2 H 3.169 0.02 1
23 3 5 HIS HB3 H 3.169 0.02 1
24 3 5 HIS HD2 H 7.149 0.02 1
25 3 5 HIS HE1 H 8.224 0.02 1
26 3 5 HIS C C 175.168 0.2 1
27 3 5 HIS CA C 55.826 0.2 1
28 3 5 HIS CB C 30.127 0.2 1
29 3 5 HIS CD2 C 119.951 0.2 1
30 3 5 HIS CE1 C 137.282 0.2 1
31 3 5 HIS N N 119.889 0.2 1
32 4 6 THR H H 8.152 0.02 1
33 4 6 THR HA H 4.367 0.02 1
34 4 6 THR HB H 4.237 0.02 1
35 4 6 THR HG2 H 1.177 0.02 1
36 4 6 THR C C 174.451 0.2 1
37 4 6 THR CA C 61.706 0.2 1
38 4 6 THR CB C 69.805 0.2 1
39 4 6 THR CG2 C 21.443 0.2 1
40 4 6 THR N N 115.594 0.2 1
41 5 7 THR H H 8.247 0.02 1
42 5 7 THR HA H 4.336 0.02 1
43 5 7 THR HB H 4.207 0.02 1
44 5 7 THR HG2 H 1.202 0.02 1
45 5 7 THR C C 174.349 0.2 1
46 5 7 THR CA C 61.883 0.2 1
47 5 7 THR CB C 69.715 0.2 1
48 5 7 THR CG2 C 21.649 0.2 1
49 5 7 THR N N 116.68 0.2 1
50 6 8 GLN H H 8.435 0.02 1
51 6 8 GLN HA H 4.332 0.02 1
52 6 8 GLN HB2 H 1.891 0.02 2
53 6 8 GLN HB3 H 2.028 0.02 2
54 6 8 GLN HG2 H 2.325 0.02 2
55 6 8 GLN HG3 H 2.34 0.02 2
56 6 8 GLN HE21 H 7.47 0.02 2
57 6 8 GLN HE22 H 6.856 0.02 2
58 6 8 GLN C C 175.655 0.2 1
59 6 8 GLN CA C 55.809 0.2 1
60 6 8 GLN CB C 29.587 0.2 1
61 6 8 GLN CG C 33.829 0.2 1
62 6 8 GLN N N 123.379 0.2 1
63 6 8 GLN NE2 N 112.357 0.2 1
64 7 9 LYS H H 8.364 0.02 1
65 7 9 LYS HA H 4.235 0.02 1
66 7 9 LYS HB2 H 1.726 0.02 1
67 7 9 LYS HB3 H 1.726 0.02 1
68 7 9 LYS HG2 H 1.371 0.02 1
69 7 9 LYS HG3 H 1.371 0.02 1
70 7 9 LYS C C 175.721 0.2 1
71 7 9 LYS CA C 56.361 0.2 1
72 7 9 LYS CB C 33.29 0.2 1
73 7 9 LYS CG C 24.768 0.2 1
74 7 9 LYS CD C 29.347 0.2 1
75 7 9 LYS CE C 42.101 0.2 1
76 7 9 LYS N N 123.581 0.2 1
77 8 10 ASP H H 8.509 0.02 1
78 8 10 ASP HA H 4.716 0.02 1
79 8 10 ASP HB2 H 2.649 0.02 2
80 8 10 ASP HB3 H 2.829 0.02 2
81 8 10 ASP C C 177.535 0.2 1
82 8 10 ASP CA C 54.016 0.2 1
83 8 10 ASP CB C 41.502 0.2 1
84 8 10 ASP N N 122.51 0.2 1
85 9 11 THR H H 8.523 0.02 1
86 9 11 THR HA H 4.642 0.02 1
87 9 11 THR HB H 4.593 0.02 1
88 9 11 THR HG2 H 1.007 0.02 1
89 9 11 THR C C 175.519 0.2 1
90 9 11 THR CA C 60.956 0.2 1
91 9 11 THR CB C 68.479 0.2 1
92 9 11 THR CG2 C 20.941 0.2 1
93 9 11 THR N N 116.467 0.2 1
94 10 12 THR H H 8.32 0.02 1
95 10 12 THR HA H 3.441 0.02 1
96 10 12 THR HB H 3.431 0.02 1
97 10 12 THR HG2 H -0.093 0.02 1
98 10 12 THR C C 175.398 0.2 1
99 10 12 THR CA C 67.867 0.2 1
100 10 12 THR CB C 68.992 0.2 1
101 10 12 THR CG2 C 19.668 0.2 1
102 10 12 THR N N 120.883 0.2 1
103 11 13 TYR H H 8.497 0.02 1
104 11 13 TYR HA H 4.771 0.02 1
105 11 13 TYR HB2 H 2.566 0.02 2
106 11 13 TYR HB3 H 3.368 0.02 2
107 11 13 TYR HD1 H 6.975 0.02 1
108 11 13 TYR HD2 H 6.975 0.02 1
109 11 13 TYR HE1 H 6.684 0.02 1
110 11 13 TYR HE2 H 6.684 0.02 1
111 11 13 TYR C C 174.695 0.2 1
112 11 13 TYR CA C 58.32 0.2 1
113 11 13 TYR CB C 38.364 0.2 1
114 11 13 TYR CD1 C 132.442 0.2 1
115 11 13 TYR CD2 C 132.442 0.2 1
116 11 13 TYR CE1 C 118.078 0.2 1
117 11 13 TYR CE2 C 118.078 0.2 1
118 11 13 TYR N N 113.874 0.2 1
119 12 14 THR H H 7.428 0.02 1
120 12 14 THR HA H 4.41 0.02 1
121 12 14 THR HB H 4.62 0.02 1
122 12 14 THR HG2 H 0.772 0.02 1
123 12 14 THR C C 174.124 0.2 1
124 12 14 THR CA C 61.146 0.2 1
125 12 14 THR CB C 69.673 0.2 1
126 12 14 THR CG2 C 22.493 0.2 1
127 12 14 THR N N 105.156 0.2 1
128 13 15 LYS H H 7.86 0.02 1
129 13 15 LYS HA H 4.972 0.02 1
130 13 15 LYS HB2 H 1.647 0.02 2
131 13 15 LYS HB3 H 1.952 0.02 2
132 13 15 LYS HG2 H 1.388 0.02 2
133 13 15 LYS HG3 H 1.11 0.02 2
134 13 15 LYS HD2 H 1.65 0.02 1
135 13 15 LYS HD3 H 1.65 0.02 1
136 13 15 LYS HE2 H 2.933 0.02 1
137 13 15 LYS HE3 H 2.933 0.02 1
138 13 15 LYS C C 175.068 0.2 1
139 13 15 LYS CA C 56.776 0.2 1
140 13 15 LYS CB C 33.655 0.2 1
141 13 15 LYS CG C 25.401 0.2 1
142 13 15 LYS CD C 28.968 0.2 1
143 13 15 LYS CE C 42.144 0.2 1
144 13 15 LYS N N 122.545 0.2 1
145 14 16 ILE H H 9.99 0.02 1
146 14 16 ILE HA H 4.219 0.02 1
147 14 16 ILE HB H 1.781 0.02 1
148 14 16 ILE HG12 H 0.559 0.02 2
149 14 16 ILE HG13 H 1.618 0.02 2
150 14 16 ILE HG2 H 0.705 0.02 1
151 14 16 ILE HD1 H 0.624 0.02 1
152 14 16 ILE C C 175.525 0.2 1
153 14 16 ILE CA C 61.863 0.2 1
154 14 16 ILE CB C 40.958 0.2 1
155 14 16 ILE CG1 C 27.408 0.2 1
156 14 16 ILE CG2 C 18.45 0.2 1
157 14 16 ILE CD1 C 15.858 0.2 1
158 14 16 ILE N N 132.385 0.2 1
159 15 17 PHE H H 9.393 0.02 1
160 15 17 PHE HA H 4.675 0.02 1
161 15 17 PHE HB2 H 2.975 0.02 1
162 15 17 PHE HB3 H 2.975 0.02 1
163 15 17 PHE HD1 H 6.957 0.02 1
164 15 17 PHE HD2 H 6.957 0.02 1
165 15 17 PHE HE1 H 6.89 0.02 1
166 15 17 PHE HE2 H 6.89 0.02 1
167 15 17 PHE HZ H 6.862 0.02 1
168 15 17 PHE C C 172.284 0.2 1
169 15 17 PHE CA C 57.552 0.2 1
170 15 17 PHE CB C 40.838 0.2 1
171 15 17 PHE CD1 C 132.442 0.2 1
172 15 17 PHE CD2 C 132.442 0.2 1
173 15 17 PHE CE1 C 130.957 0.2 1
174 15 17 PHE CE2 C 130.957 0.2 1
175 15 17 PHE CZ C 129.111 0.2 1
176 15 17 PHE N N 127.841 0.2 1
177 16 18 VAL H H 7.826 0.02 1
178 16 18 VAL HA H 4.463 0.02 1
179 16 18 VAL HB H 1.532 0.02 1
180 16 18 VAL HG1 H 0.689 0.02 1
181 16 18 VAL HG2 H 0.683 0.02 1
182 16 18 VAL C C 173.556 0.2 1
183 16 18 VAL CA C 59.829 0.2 1
184 16 18 VAL CB C 32.341 0.2 1
185 16 18 VAL CG1 C 22.078 0.2 1
186 16 18 VAL CG2 C 21.214 0.2 1
187 16 18 VAL N N 127.318 0.2 1
188 17 19 GLY H H 8.877 0.2 1
189 17 19 GLY HA2 H 3.674 0.2 2
190 17 19 GLY HA3 H 4.541 0.2 2
191 17 19 GLY C C 173.985 0.2 1
192 17 19 GLY CA C 43.493 0.2 1
193 17 19 GLY N N 112.452 0.2 1
194 18 20 GLY H H 8.376 0.02 1
195 18 20 GLY HA2 H 3.708 0.02 2
196 18 20 GLY HA3 H 3.968 0.02 2
197 18 20 GLY C C 175.023 0.2 1
198 18 20 GLY CA C 46.419 0.2 1
199 18 20 GLY N N 106.471 0.2 1
200 19 21 LEU H H 7.611 0.02 1
201 19 21 LEU HA H 4.172 0.02 1
202 19 21 LEU HB2 H 0.928 0.02 2
203 19 21 LEU HB3 H 1.22 0.02 2
204 19 21 LEU HG H 1.23 0.02 1
205 19 21 LEU HD1 H 0.451 0.02 1
206 19 21 LEU HD2 H 0.623 0.02 1
207 19 21 LEU CA C 52.205 0.2 1
208 19 21 LEU CB C 41.463 0.2 1
209 19 21 LEU CG C 26.642 0.2 1
210 19 21 LEU CD1 C 25.439 0.2 1
211 19 21 LEU CD2 C 22.314 0.2 1
212 19 21 LEU N N 116.659 0.2 1
213 20 22 PRO HA H 4.436 0.02 1
214 20 22 PRO HB2 H 1.746 0.02 2
215 20 22 PRO HB3 H 1.976 0.02 2
216 20 22 PRO HG2 H 1.737 0.02 2
217 20 22 PRO HG3 H 1.883 0.02 2
218 20 22 PRO HD2 H 3.489 0.02 2
219 20 22 PRO HD3 H 3.797 0.02 2
220 20 22 PRO C C 178.555 0.2 1
221 20 22 PRO CA C 61.756 0.2 1
222 20 22 PRO CB C 32.165 0.2 1
223 20 22 PRO CG C 26.614 0.2 1
224 20 22 PRO CD C 48.903 0.2 1
225 21 23 TYR H H 8.623 0.02 1
226 21 23 TYR HA H 4.143 0.02 1
227 21 23 TYR HB2 H 3.008 0.02 2
228 21 23 TYR HB3 H 3.218 0.02 2
229 21 23 TYR HD1 H 7.137 0.02 1
230 21 23 TYR HD2 H 7.137 0.02 1
231 21 23 TYR HE1 H 6.797 0.02 1
232 21 23 TYR HE2 H 6.797 0.02 1
233 21 23 TYR C C 175.17 0.2 1
234 21 23 TYR CA C 60.434 0.2 1
235 21 23 TYR CB C 37.336 0.2 1
236 21 23 TYR CD1 C 132.91 0.2 1
237 21 23 TYR CD2 C 132.91 0.2 1
238 21 23 TYR CE1 C 117.974 0.2 1
239 21 23 TYR CE2 C 117.974 0.2 1
240 21 23 TYR N N 119.556 0.2 1
241 22 24 HIS H H 7.28 0.02 1
242 22 24 HIS HA H 4.666 0.02 1
243 22 24 HIS HB2 H 2.822 0.02 2
244 22 24 HIS HB3 H 3.318 0.02 2
245 22 24 HIS C C 176.071 0.2 1
246 22 24 HIS CA C 55.588 0.2 1
247 22 24 HIS CB C 30.165 0.2 1
248 22 24 HIS N N 111.123 0.2 1
249 23 25 THR H H 6.962 0.02 1
250 23 25 THR HA H 3.926 0.02 1
251 23 25 THR HB H 3.66 0.02 1
252 23 25 THR HG2 H 1.105 0.02 1
253 23 25 THR C C 174.641 0.2 1
254 23 25 THR CA C 66.005 0.2 1
255 23 25 THR CB C 67.632 0.2 1
256 23 25 THR CG2 C 23.329 0.2 1
257 23 25 THR N N 122.742 0.2 1
258 24 26 THR H H 8.36 0.02 1
259 24 26 THR HA H 4.738 0.02 1
260 24 26 THR HB H 3.612 0.02 1
261 24 26 THR HG2 H 1.327 0.02 1
262 24 26 THR C C 174.875 0.2 1
263 24 26 THR CA C 59.265 0.2 1
264 24 26 THR CB C 73.344 0.2 1
265 24 26 THR CG2 C 21.793 0.2 1
266 24 26 THR N N 118.851 0.2 1
267 25 27 ASP H H 8.693 0.02 1
268 25 27 ASP HA H 3.905 0.02 1
269 25 27 ASP HB2 H 2.936 0.02 2
270 25 27 ASP HB3 H 2.698 0.02 2
271 25 27 ASP C C 180.773 0.2 1
272 25 27 ASP CA C 58.169 0.2 1
273 25 27 ASP CB C 39.782 0.2 1
274 25 27 ASP N N 120.176 0.2 1
275 26 28 ALA H H 7.979 0.02 1
276 26 28 ALA HA H 4.141 0.02 1
277 26 28 ALA HB H 1.453 0.02 1
278 26 28 ALA C C 180.6 0.2 1
279 26 28 ALA CA C 55.039 0.2 1
280 26 28 ALA CB C 18.653 0.2 1
281 26 28 ALA N N 119.217 0.2 1
282 27 29 SER H H 8.28 0.02 1
283 27 29 SER HA H 4.301 0.02 1
284 27 29 SER HB2 H 3.881 0.02 1
285 27 29 SER HB3 H 3.881 0.02 1
286 27 29 SER C C 177.724 0.2 1
287 27 29 SER CA C 61.906 0.2 1
288 27 29 SER CB C 62.386 0.2 1
289 27 29 SER N N 118.548 0.2 1
290 28 30 LEU H H 8.535 0.02 1
291 28 30 LEU HA H 4.14 0.02 1
292 28 30 LEU HB2 H 1.465 0.02 2
293 28 30 LEU HB3 H 1.74 0.02 2
294 28 30 LEU HD1 H 0.827 0.02 1
295 28 30 LEU HD2 H 0.594 0.02 1
296 28 30 LEU C C 178.523 0.2 1
297 28 30 LEU CA C 58.026 0.2 1
298 28 30 LEU CB C 42.389 0.2 1
299 28 30 LEU CG C 26.269 0.2 1
300 28 30 LEU CD1 C 25.305 0.2 1
301 28 30 LEU CD2 C 25.41 0.2 1
302 28 30 LEU N N 125.657 0.2 1
303 29 31 ARG H H 8.116 0.02 1
304 29 31 ARG HA H 3.772 0.02 1
305 29 31 ARG HB2 H 2.003 0.02 2
306 29 31 ARG HB3 H 1.933 0.02 2
307 29 31 ARG HG2 H 1.551 0.02 1
308 29 31 ARG HG3 H 1.551 0.02 1
309 29 31 ARG HD2 H 3.128 0.02 1
310 29 31 ARG HD3 H 3.128 0.02 1
311 29 31 ARG C C 177.007 0.2 1
312 29 31 ARG CA C 60.193 0.2 1
313 29 31 ARG CB C 30.718 0.2 1
314 29 31 ARG CG C 28.95 0.2 1
315 29 31 ARG CD C 43.404 0.2 1
316 29 31 ARG N N 117.881 0.2 1
317 30 32 LYS H H 7.794 0.02 1
318 30 32 LYS HA H 3.945 0.02 1
319 30 32 LYS HB2 H 1.922 0.02 1
320 30 32 LYS HB3 H 1.922 0.02 1
321 30 32 LYS HG2 H 1.511 0.02 1
322 30 32 LYS HG3 H 1.511 0.02 1
323 30 32 LYS HD2 H 1.689 0.02 1
324 30 32 LYS HD3 H 1.689 0.02 1
325 30 32 LYS HE2 H 2.986 0.02 1
326 30 32 LYS HE3 H 2.986 0.02 1
327 30 32 LYS C C 178.567 0.2 1
328 30 32 LYS CA C 58.452 0.2 1
329 30 32 LYS CB C 32.14 0.2 1
330 30 32 LYS CG C 24.67 0.2 1
331 30 32 LYS CD C 28.788 0.2 1
332 30 32 LYS CE C 42.29 0.2 1
333 30 32 LYS N N 115.612 0.2 1
334 31 33 TYR H H 7.531 0.02 1
335 31 33 TYR HA H 3.995 0.02 1
336 31 33 TYR HB2 H 2.86 0.02 2
337 31 33 TYR HB3 H 3.076 0.02 2
338 31 33 TYR HD1 H 6.213 0.02 1
339 31 33 TYR HD2 H 6.213 0.02 1
340 31 33 TYR HE1 H 6.457 0.02 1
341 31 33 TYR HE2 H 6.457 0.02 1
342 31 33 TYR C C 176.649 0.2 1
343 31 33 TYR CA C 62.109 0.2 1
344 31 33 TYR CB C 38.275 0.2 1
345 31 33 TYR CD1 C 133.116 0.2 1
346 31 33 TYR CD2 C 133.116 0.2 1
347 31 33 TYR CE1 C 117.743 0.2 1
348 31 33 TYR CE2 C 117.743 0.2 1
349 31 33 TYR N N 116.316 0.2 1
350 32 34 PHE H H 7.705 0.02 1
351 32 34 PHE HA H 4.388 0.02 1
352 32 34 PHE HB2 H 2.897 0.02 2
353 32 34 PHE HB3 H 3.359 0.02 2
354 32 34 PHE HD1 H 7.762 0.02 1
355 32 34 PHE HD2 H 7.762 0.02 1
356 32 34 PHE HE1 H 7.286 0.02 1
357 32 34 PHE HE2 H 7.286 0.02 1
358 32 34 PHE HZ H 7.121 0.02 1
359 32 34 PHE C C 177.566 0.2 1
360 32 34 PHE CA C 61.849 0.2 1
361 32 34 PHE CB C 40.669 0.2 1
362 32 34 PHE CD1 C 132.523 0.2 1
363 32 34 PHE CD2 C 132.523 0.2 1
364 32 34 PHE CE1 C 131.609 0.2 1
365 32 34 PHE CE2 C 131.609 0.2 1
366 32 34 PHE CZ C 130.048 0.2 1
367 32 34 PHE N N 111.78 0.2 1
368 33 35 GLU H H 8.504 0.02 1
369 33 35 GLU HA H 4.488 0.02 1
370 33 35 GLU HB2 H 2.08 0.02 2
371 33 35 GLU HB3 H 2.124 0.02 2
372 33 35 GLU HG2 H 2.51 0.02 2
373 33 35 GLU HG3 H 2.326 0.02 2
374 33 35 GLU C C 177.186 0.2 1
375 33 35 GLU CA C 58.224 0.2 1
376 33 35 GLU CB C 28.705 0.2 1
377 33 35 GLU CG C 36.05 0.2 1
378 33 35 GLU N N 120.291 0.2 1
379 34 36 VAL H H 6.55 0.02 1
380 34 36 VAL HA H 3.777 0.02 1
381 34 36 VAL HB H 1.6 0.02 1
382 34 36 VAL HG1 H 0.305 0.02 1
383 34 36 VAL HG2 H 0.239 0.02 1
384 34 36 VAL C C 176.996 0.2 1
385 34 36 VAL CA C 63.11 0.2 1
386 34 36 VAL CB C 31.033 0.2 1
387 34 36 VAL CG1 C 19.823 0.2 1
388 34 36 VAL CG2 C 19.32 0.2 1
389 34 36 VAL N N 113.471 0.2 1
390 35 37 PHE H H 7.665 0.02 1
391 35 37 PHE HA H 4.592 0.02 1
392 35 37 PHE HB2 H 2.964 0.02 1
393 35 37 PHE HB3 H 3.518 0.02 1
394 35 37 PHE HD1 H 7.4 0.02 1
395 35 37 PHE HD2 H 7.4 0.02 1
396 35 37 PHE HE1 H 7.027 0.02 1
397 35 37 PHE HE2 H 7.027 0.02 1
398 35 37 PHE HZ H 7.312 0.02 1
399 35 37 PHE C C 174.954 0.2 1
400 35 37 PHE CA C 59.177 0.2 1
401 35 37 PHE CB C 39.977 0.2 1
402 35 37 PHE CD1 C 131.713 0.2 1
403 35 37 PHE CD2 C 131.713 0.2 1
404 35 37 PHE CE1 C 132.078 0.2 1
405 35 37 PHE CE2 C 132.078 0.2 1
406 35 37 PHE CZ C 130.568 0.2 1
407 35 37 PHE N N 117.644 0.2 1
408 36 38 GLY H H 7.366 0.02 1
409 36 38 GLY HA2 H 3.873 0.02 2
410 36 38 GLY HA3 H 4.249 0.02 2
411 36 38 GLY C C 170.237 0.2 1
412 36 38 GLY CA C 44.514 0.2 1
413 36 38 GLY N N 105.171 0.2 1
414 37 39 GLU H H 8.237 0.02 1
415 37 39 GLU HA H 4.257 0.02 1
416 37 39 GLU HB2 H 1.892 0.02 1
417 37 39 GLU HB3 H 1.892 0.02 1
418 37 39 GLU HG2 H 2.119 0.02 2
419 37 39 GLU HG3 H 2.3 0.02 2
420 37 39 GLU C C 176.259 0.2 1
421 37 39 GLU CA C 56.781 0.2 1
422 37 39 GLU CB C 30.333 0.2 1
423 37 39 GLU CG C 36.487 0.2 1
424 37 39 GLU N N 117.535 0.2 1
425 38 40 ILE H H 8.823 0.02 1
426 38 40 ILE HA H 4.238 0.02 1
427 38 40 ILE HB H 1.788 0.02 1
428 38 40 ILE HG12 H 1.249 0.02 2
429 38 40 ILE HG13 H 1.71 0.02 2
430 38 40 ILE HG2 H 0.727 0.02 1
431 38 40 ILE HD1 H 0.872 0.02 1
432 38 40 ILE C C 176.342 0.2 1
433 38 40 ILE CA C 60.646 0.2 1
434 38 40 ILE CB C 40.476 0.2 1
435 38 40 ILE CG1 C 27.385 0.2 1
436 38 40 ILE CG2 C 18.44 0.2 1
437 38 40 ILE CD1 C 15.151 0.2 1
438 38 40 ILE N N 125.418 0.2 1
439 39 41 GLU H H 8.984 0.02 1
440 39 41 GLU HA H 4.386 0.02 1
441 39 41 GLU HB2 H 1.86 0.02 2
442 39 41 GLU HB3 H 1.613 0.02 2
443 39 41 GLU HG2 H 2.029 0.02 1
444 39 41 GLU HG3 H 2.029 0.02 1
445 39 41 GLU C C 176.336 0.2 1
446 39 41 GLU CA C 57.828 0.2 1
447 39 41 GLU CB C 30.858 0.2 1
448 39 41 GLU CG C 36.077 0.2 1
449 39 41 GLU N N 126.976 0.2 1
450 40 42 GLU H H 7.566 0.02 1
451 40 42 GLU HA H 4.459 0.02 1
452 40 42 GLU HB2 H 1.889 0.02 2
453 40 42 GLU HB3 H 1.975 0.02 2
454 40 42 GLU HG2 H 2.034 0.02 2
455 40 42 GLU HG3 H 2.171 0.02 2
456 40 42 GLU C C 173.388 0.2 1
457 40 42 GLU CA C 55.772 0.2 1
458 40 42 GLU CB C 33.91 0.2 1
459 40 42 GLU CG C 36.3 0.2 1
460 40 42 GLU N N 117.243 0.2 1
461 41 43 ALA H H 8.806 0.02 1
462 41 43 ALA HA H 5.132 0.02 1
463 41 43 ALA HB H 1.276 0.02 1
464 41 43 ALA C C 174.049 0.2 1
465 41 43 ALA CA C 52.095 0.2 1
466 41 43 ALA CB C 21.091 0.2 1
467 41 43 ALA N N 128.021 0.2 1
468 42 44 VAL H H 8.728 0.02 1
469 42 44 VAL HA H 4.634 0.02 1
470 42 44 VAL HB H 1.924 0.02 1
471 42 44 VAL HG1 H 0.944 0.02 1
472 42 44 VAL HG2 H 0.947 0.02 1
473 42 44 VAL C C 173.444 0.2 1
474 42 44 VAL CA C 59.349 0.2 1
475 42 44 VAL CB C 36.215 0.2 1
476 42 44 VAL CG1 C 20.755 0.2 1
477 42 44 VAL CG2 C 20.487 0.2 1
478 42 44 VAL N N 119.17 0.2 1
479 43 45 VAL H H 8.459 0.02 1
480 43 45 VAL HA H 3.854 0.02 1
481 43 45 VAL HB H 1.818 0.02 1
482 43 45 VAL HG1 H 0.689 0.02 1
483 43 45 VAL HG2 H 0.537 0.02 1
484 43 45 VAL C C 176.412 0.2 1
485 43 45 VAL CA C 62.418 0.2 1
486 43 45 VAL CB C 33.221 0.2 1
487 43 45 VAL CG1 C 20.962 0.2 1
488 43 45 VAL CG2 C 22.586 0.2 1
489 43 45 VAL N N 124.958 0.2 1
490 44 46 ILE H H 8.713 0.02 1
491 44 46 ILE HA H 4.002 0.02 1
492 44 46 ILE HB H 1.152 0.02 1
493 44 46 ILE HG12 H 1.424 0.02 2
494 44 46 ILE HG13 H 1.393 0.02 2
495 44 46 ILE HG2 H 0.861 0.02 1
496 44 46 ILE HD1 H 0.828 0.02 1
497 44 46 ILE C C 174.955 0.2 1
498 44 46 ILE CA C 59.417 0.2 1
499 44 46 ILE CB C 33.933 0.2 1
500 44 46 ILE CG1 C 27.241 0.2 1
501 44 46 ILE CG2 C 17.394 0.2 1
502 44 46 ILE CD1 C 8.745 0.2 1
503 44 46 ILE N N 129.68 0.2 1
504 45 47 THR H H 7.911 0.02 1
505 45 47 THR HA H 4.796 0.02 1
506 45 47 THR HB H 3.674 0.02 1
507 45 47 THR HG2 H 0.976 0.02 1
508 45 47 THR C C 174.541 0.2 1
509 45 47 THR CA C 59.145 0.2 1
510 45 47 THR CB C 71.967 0.2 1
511 45 47 THR CG2 C 21.436 0.2 1
512 45 47 THR N N 116.577 0.2 1
513 46 48 ASP H H 8.687 0.02 1
514 46 48 ASP HA H 4.561 0.02 1
515 46 48 ASP HB2 H 2.456 0.02 2
516 46 48 ASP HB3 H 3.044 0.02 2
517 46 48 ASP C C 177.548 0.2 1
518 46 48 ASP CA C 53.877 0.2 1
519 46 48 ASP CB C 42.897 0.2 1
520 46 48 ASP N N 122.454 0.2 1
521 47 49 ARG H H 9.047 0.02 1
522 47 49 ARG HA H 4.021 0.02 1
523 47 49 ARG HB2 H 1.817 0.02 2
524 47 49 ARG HB3 H 1.925 0.02 2
525 47 49 ARG HG2 H 1.722 0.02 1
526 47 49 ARG HG3 H 1.722 0.02 1
527 47 49 ARG HD2 H 3.219 0.02 1
528 47 49 ARG HD3 H 3.219 0.02 1
529 47 49 ARG C C 177.574 0.2 1
530 47 49 ARG CA C 58.589 0.2 1
531 47 49 ARG CB C 30.01 0.2 1
532 47 49 ARG CG C 27.368 0.2 1
533 47 49 ARG CD C 43.263 0.2 1
534 47 49 ARG N N 127.881 0.2 1
535 48 50 GLN H H 8.655 0.02 1
536 48 50 GLN HA H 4.271 0.02 1
537 48 50 GLN HB2 H 2.127 0.02 2
538 48 50 GLN HB3 H 2.236 0.02 2
539 48 50 GLN HG2 H 2.339 0.02 2
540 48 50 GLN HG3 H 2.438 0.02 2
541 48 50 GLN HE21 H 7.638 0.02 2
542 48 50 GLN HE22 H 6.871 0.02 2
543 48 50 GLN C C 177.846 0.2 1
544 48 50 GLN CA C 58.25 0.2 1
545 48 50 GLN CB C 29.551 0.2 1
546 48 50 GLN CG C 34.516 0.2 1
547 48 50 GLN N N 116.8 0.2 1
548 48 50 GLN NE2 N 112.447 0.2 1
549 49 51 THR H H 8.031 0.02 1
550 49 51 THR HA H 4.428 0.02 1
551 49 51 THR HB H 4.315 0.02 1
552 49 51 THR HG2 H 1.206 0.02 1
553 49 51 THR C C 176.571 0.2 1
554 49 51 THR CA C 61.806 0.2 1
555 49 51 THR CB C 71.199 0.2 1
556 49 51 THR CG2 C 21.128 0.2 1
557 49 51 THR N N 106.604 0.2 1
558 50 52 GLY H H 8.472 0.02 1
559 50 52 GLY HA2 H 3.845 0.02 2
560 50 52 GLY HA3 H 4.185 0.02 2
561 50 52 GLY C C 173.696 0.2 1
562 50 52 GLY CA C 45.665 0.2 1
563 50 52 GLY N N 111.329 0.2 1
564 51 53 LYS H H 7.756 0.02 1
565 51 53 LYS HA H 4.24 0.02 1
566 51 53 LYS HB2 H 1.578 0.02 2
567 51 53 LYS HB3 H 1.793 0.02 2
568 51 53 LYS HG2 H 1.472 0.02 2
569 51 53 LYS HG3 H 1.543 0.02 2
570 51 53 LYS HD2 H 1.57 0.02 1
571 51 53 LYS HD3 H 1.57 0.02 1
572 51 53 LYS HE2 H 3.079 0.02 2
573 51 53 LYS HE3 H 3.136 0.02 2
574 51 53 LYS C C 176.444 0.2 1
575 51 53 LYS CA C 55.87 0.2 1
576 51 53 LYS CB C 33.619 0.2 1
577 51 53 LYS CG C 25.148 0.2 1
578 51 53 LYS CD C 29.042 0.2 1
579 51 53 LYS N N 119.538 0.2 1
580 52 54 SER H H 8.709 0.02 1
581 52 54 SER HA H 4.169 0.02 1
582 52 54 SER HB2 H 4.124 0.02 2
583 52 54 SER HB3 H 3.822 0.02 2
584 52 54 SER C C 176.201 0.2 1
585 52 54 SER CA C 58.498 0.2 1
586 52 54 SER CB C 64.06 0.2 1
587 52 54 SER N N 116.158 0.2 1
588 53 55 ARG H H 9.128 0.02 1
589 53 55 ARG HA H 4.479 0.02 1
590 53 55 ARG HB2 H 2.185 0.02 2
591 53 55 ARG HB3 H 1.174 0.02 2
592 53 55 ARG HG2 H 1.546 0.02 1
593 53 55 ARG HG3 H 1.546 0.02 1
594 53 55 ARG HD2 H 3.193 0.02 1
595 53 55 ARG HD3 H 3.193 0.02 1
596 53 55 ARG C C 177.659 0.2 1
597 53 55 ARG CA C 56.013 0.2 1
598 53 55 ARG CB C 30.744 0.2 1
599 53 55 ARG CG C 27.946 0.2 1
600 53 55 ARG CD C 43.375 0.2 1
601 53 55 ARG N N 123.566 0.2 1
602 54 56 GLY H H 9.524 0.02 1
603 54 56 GLY HA2 H 3.219 0.02 2
604 54 56 GLY HA3 H 4.095 0.02 2
605 54 56 GLY C C 171.986 0.2 1
606 54 56 GLY CA C 45.811 0.2 1
607 54 56 GLY N N 107.935 0.2 1
608 55 57 TYR H H 7.147 0.02 1
609 55 57 TYR HA H 5.147 0.02 1
610 55 57 TYR HB2 H 2.918 0.02 2
611 55 57 TYR HB3 H 3.19 0.02 2
612 55 57 TYR HD1 H 6.701 0.02 1
613 55 57 TYR HD2 H 6.701 0.02 1
614 55 57 TYR HE1 H 6.819 0.02 1
615 55 57 TYR HE2 H 6.819 0.02 1
616 55 57 TYR C C 172.26 0.2 1
617 55 57 TYR CA C 55.051 0.2 1
618 55 57 TYR CB C 40.627 0.2 1
619 55 57 TYR CD1 C 134.043 0.2 1
620 55 57 TYR CD2 C 134.043 0.2 1
621 55 57 TYR CE1 C 118.286 0.2 1
622 55 57 TYR CE2 C 118.286 0.2 1
623 55 57 TYR N N 112.376 0.2 1
624 56 58 GLY H H 8.932 0.02 1
625 56 58 GLY HA2 H 3.959 0.02 2
626 56 58 GLY HA3 H 4.102 0.02 2
627 56 58 GLY C C 169.678 0.2 1
628 56 58 GLY CA C 45.49 0.2 1
629 56 58 GLY N N 106.249 0.2 1
630 57 59 PHE H H 8.732 0.02 1
631 57 59 PHE HA H 5.813 0.02 1
632 57 59 PHE HB2 H 2.614 0.02 2
633 57 59 PHE HB3 H 2.818 0.02 2
634 57 59 PHE HD1 H 7.11 0.02 1
635 57 59 PHE HD2 H 7.11 0.02 1
636 57 59 PHE HE1 H 7.511 0.02 1
637 57 59 PHE HE2 H 7.511 0.02 1
638 57 59 PHE C C 175.493 0.2 1
639 57 59 PHE CA C 56.125 0.2 1
640 57 59 PHE CB C 44.419 0.2 1
641 57 59 PHE CD1 C 132.754 0.2 1
642 57 59 PHE CD2 C 132.754 0.2 1
643 57 59 PHE CE1 C 131.306 0.2 1
644 57 59 PHE CE2 C 131.306 0.2 1
645 57 59 PHE N N 112.836 0.2 1
646 58 60 VAL H H 9.039 0.02 1
647 58 60 VAL HA H 4.67 0.02 1
648 58 60 VAL HB H 1.178 0.02 1
649 58 60 VAL HG1 H 0.607 0.02 1
650 58 60 VAL HG2 H 0.427 0.02 1
651 58 60 VAL C C 174.387 0.2 1
652 58 60 VAL CA C 60.686 0.2 1
653 58 60 VAL CB C 35.188 0.2 1
654 58 60 VAL CG1 C 21.733 0.2 1
655 58 60 VAL CG2 C 21.516 0.2 1
656 58 60 VAL N N 122.69 0.2 1
657 59 61 THR H H 9.522 0.02 1
658 59 61 THR HA H 5.093 0.02 1
659 59 61 THR HB H 3.886 0.02 1
660 59 61 THR HG2 H 1.132 0.02 1
661 59 61 THR C C 174.875 0.2 1
662 59 61 THR CA C 61.311 0.2 1
663 59 61 THR CB C 69.531 0.2 1
664 59 61 THR CG2 C 21.826 0.2 1
665 59 61 THR N N 124.685 0.2 1
666 60 62 MET H H 8.404 0.02 1
667 60 62 MET HA H 5.122 0.02 1
668 60 62 MET HB2 H 1.964 0.02 2
669 60 62 MET HB3 H 2.4 0.02 2
670 60 62 MET HG2 H 2.277 0.02 2
671 60 62 MET HG3 H 2.526 0.02 2
672 60 62 MET HE H 1.959 0.02 1
673 60 62 MET C C 176.11 0.2 1
674 60 62 MET CA C 52.758 0.2 1
675 60 62 MET CB C 31.573 0.2 1
676 60 62 MET CG C 32.271 0.2 1
677 60 62 MET CE C 16.554 0.2 1
678 60 62 MET N N 124.818 0.2 1
679 61 63 ALA H H 8.499 0.02 1
680 61 63 ALA HA H 4.122 0.02 1
681 61 63 ALA HB H 1.365 0.02 1
682 61 63 ALA C C 176.883 0.2 1
683 61 63 ALA CA C 54.319 0.2 1
684 61 63 ALA CB C 19.729 0.2 1
685 61 63 ALA N N 119.92 0.2 1
686 62 64 ASP H H 7.657 0.02 1
687 62 64 ASP HA H 4.857 0.02 1
688 62 64 ASP HB2 H 2.753 0.02 2
689 62 64 ASP HB3 H 2.982 0.02 2
690 62 64 ASP C C 175.51 0.2 1
691 62 64 ASP CA C 52.772 0.2 1
692 62 64 ASP CB C 44.084 0.2 1
693 62 64 ASP N N 111.058 0.2 1
694 63 65 ARG H H 8.786 0.02 1
695 63 65 ARG HA H 3.985 0.02 1
696 63 65 ARG HB2 H 1.865 0.02 1
697 63 65 ARG HB3 H 1.865 0.02 1
698 63 65 ARG HG2 H 1.669 0.02 1
699 63 65 ARG HG3 H 1.669 0.02 1
700 63 65 ARG HD2 H 2.978 0.02 1
701 63 65 ARG HD3 H 2.978 0.02 1
702 63 65 ARG C C 177.713 0.2 1
703 63 65 ARG CA C 59.206 0.2 1
704 63 65 ARG CB C 30.392 0.2 1
705 63 65 ARG CG C 26.576 0.2 1
706 63 65 ARG CD C 43.887 0.2 1
707 63 65 ARG N N 122.486 0.2 1
708 64 66 ALA H H 8.502 0.02 1
709 64 66 ALA HA H 4.206 0.02 1
710 64 66 ALA HB H 1.524 0.02 1
711 64 66 ALA C C 180.6 0.2 1
712 64 66 ALA CA C 55.33 0.2 1
713 64 66 ALA CB C 17.85 0.2 1
714 64 66 ALA N N 123.796 0.2 1
715 65 67 ALA H H 8.157 0.02 1
716 65 67 ALA HA H 4.179 0.02 1
717 65 67 ALA HB H 1.641 0.02 1
718 65 67 ALA C C 179.664 0.2 1
719 65 67 ALA CA C 55.06 0.2 1
720 65 67 ALA CB C 19.996 0.2 1
721 65 67 ALA N N 121.349 0.2 1
722 66 68 ALA H H 7.652 0.02 1
723 66 68 ALA HA H 4.067 0.02 1
724 66 68 ALA HB H 1.533 0.02 1
725 66 68 ALA C C 178.731 0.2 1
726 66 68 ALA CA C 55.478 0.2 1
727 66 68 ALA CB C 18.381 0.2 1
728 66 68 ALA N N 119.282 0.2 1
729 67 69 GLU H H 8.435 0.02 1
730 67 69 GLU HA H 3.969 0.02 1
731 67 69 GLU HB2 H 2.069 0.02 2
732 67 69 GLU HB3 H 2.198 0.02 2
733 67 69 GLU HG2 H 2.206 0.02 2
734 67 69 GLU HG3 H 2.515 0.02 2
735 67 69 GLU C C 176.686 0.2 1
736 67 69 GLU CA C 59.509 0.2 1
737 67 69 GLU CB C 29.25 0.2 1
738 67 69 GLU CG C 36.877 0.2 1
739 67 69 GLU N N 118.942 0.2 1
740 68 70 ARG H H 7.986 0.02 1
741 68 70 ARG HA H 3.961 0.02 1
742 68 70 ARG HB2 H 2.019 0.02 2
743 68 70 ARG HB3 H 2.3 0.02 2
744 68 70 ARG HG2 H 2.11 0.02 1
745 68 70 ARG HG3 H 2.11 0.02 1
746 68 70 ARG HD2 H 3.558 0.02 2
747 68 70 ARG HD3 H 3.393 0.02 2
748 68 70 ARG CA C 60.337 0.2 1
749 68 70 ARG CB C 30.835 0.2 1
750 68 70 ARG CG C 29.164 0.2 1
751 68 70 ARG CD C 44.168 0.2 1
752 68 70 ARG N N 119.127 0.2 1
753 69 71 ALA H H 8.047 0.02 1
754 69 71 ALA HA H 2.12 0.02 1
755 69 71 ALA HB H 1.394 0.02 1
756 69 71 ALA C C 176.882 0.2 1
757 69 71 ALA CA C 53.362 0.2 1
758 69 71 ALA CB C 19.81 0.2 1
759 69 71 ALA N N 121.275 0.2 1
760 70 72 CYS H H 7.178 0.02 1
761 70 72 CYS HA H 4.275 0.02 1
762 70 72 CYS HB2 H 2.78 0.02 2
763 70 72 CYS HB3 H 3.022 0.02 2
764 70 72 CYS C C 174.481 0.2 1
765 70 72 CYS CA C 59.741 0.2 1
766 70 72 CYS CB C 28.627 0.2 1
767 70 72 CYS N N 111.05 0.2 1
768 71 73 LYS H H 7.067 0.02 1
769 71 73 LYS HA H 3.872 0.02 1
770 71 73 LYS HB2 H 1.913 0.02 2
771 71 73 LYS HB3 H 1.819 0.02 2
772 71 73 LYS HG2 H 1.472 0.02 2
773 71 73 LYS HG3 H 1.591 0.02 2
774 71 73 LYS HD2 H 1.721 0.02 1
775 71 73 LYS HD3 H 1.721 0.02 1
776 71 73 LYS HE2 H 2.987 0.02 1
777 71 73 LYS HE3 H 2.987 0.02 1
778 71 73 LYS C C 176.815 0.2 1
779 71 73 LYS CA C 59.428 0.2 1
780 71 73 LYS CB C 32.278 0.2 1
781 71 73 LYS CG C 24.707 0.2 1
782 71 73 LYS CD C 28.938 0.2 1
783 71 73 LYS CE C 42 0.2 1
784 71 73 LYS N N 121.848 0.2 1
785 72 74 ASP H H 7.78 0.02 1
786 72 74 ASP HA H 5.106 0.02 1
787 72 74 ASP HB2 H 2.476 0.02 2
788 72 74 ASP HB3 H 2.8 0.02 2
789 72 74 ASP CA C 49.52 0.2 1
790 72 74 ASP CB C 40.809 0.2 1
791 72 74 ASP N N 116.648 0.2 1
792 73 75 PRO HA H 4.619 0.02 1
793 73 75 PRO HB2 H 2.435 0.02 1
794 73 75 PRO HB3 H 2.435 0.02 1
795 73 75 PRO HG2 H 2.089 0.02 2
796 73 75 PRO HG3 H 2.022 0.02 2
797 73 75 PRO HD2 H 4.083 0.02 2
798 73 75 PRO HD3 H 3.964 0.02 2
799 73 75 PRO C C 176.815 0.2 1
800 73 75 PRO CA C 63.42 0.2 1
801 73 75 PRO CB C 33.103 0.2 1
802 73 75 PRO CG C 26.47 0.2 1
803 73 75 PRO CD C 51 0.2 1
804 74 76 ASN H H 8.154 0.02 1
805 74 76 ASN HA H 5.941 0.02 1
806 74 76 ASN HB2 H 2.447 0.02 1
807 74 76 ASN HB3 H 2.726 0.02 1
808 74 76 ASN HD21 H 7.98 0.02 2
809 74 76 ASN HD22 H 6.946 0.02 2
810 74 76 ASN CA C 51.079 0.2 1
811 74 76 ASN CB C 41.777 0.2 1
812 74 76 ASN N N 116.801 0.2 1
813 74 76 ASN ND2 N 113.144 0.2 1
814 75 77 PRO HA H 4.414 0.02 1
815 75 77 PRO HB2 H 1.504 0.02 2
816 75 77 PRO HB3 H 2.014 0.02 2
817 75 77 PRO HG2 H 1.876 0.02 1
818 75 77 PRO HG3 H 1.876 0.02 1
819 75 77 PRO HD2 H 3.148 0.02 2
820 75 77 PRO HD3 H 3.536 0.02 2
821 75 77 PRO C C 175.624 0.2 1
822 75 77 PRO CA C 62.896 0.2 1
823 75 77 PRO CB C 32.447 0.2 1
824 75 77 PRO CG C 26.733 0.2 1
825 75 77 PRO CD C 49.2 0.2 1
826 76 78 ILE H H 8.024 0.02 1
827 76 78 ILE HA H 4.284 0.02 1
828 76 78 ILE HB H 1.777 0.02 1
829 76 78 ILE HG12 H 1.084 0.02 2
830 76 78 ILE HG13 H 1.449 0.02 2
831 76 78 ILE HG2 H 0.545 0.02 1
832 76 78 ILE HD1 H 0.711 0.02 1
833 76 78 ILE C C 175.672 0.2 1
834 76 78 ILE CA C 59.679 0.2 1
835 76 78 ILE CB C 35.978 0.2 1
836 76 78 ILE CG1 C 27.462 0.2 1
837 76 78 ILE CG2 C 17.17 0.2 1
838 76 78 ILE CD1 C 11.388 0.2 1
839 76 78 ILE N N 118.711 0.2 1
840 77 79 ILE H H 8.487 0.02 1
841 77 79 ILE HA H 3.779 0.02 1
842 77 79 ILE HB H 1.199 0.02 1
843 77 79 ILE HG12 H -0.409 0.02 2
844 77 79 ILE HG13 H 0.723 0.02 2
845 77 79 ILE HG2 H 0.424 0.02 1
846 77 79 ILE HD1 H 0.189 0.02 1
847 77 79 ILE C C 174.476 0.2 1
848 77 79 ILE CA C 60.704 0.2 1
849 77 79 ILE CB C 39.745 0.2 1
850 77 79 ILE CG1 C 25.772 0.2 1
851 77 79 ILE CG2 C 15.624 0.2 1
852 77 79 ILE CD1 C 13.814 0.2 1
853 77 79 ILE N N 128.647 0.2 1
854 78 80 ASP H H 8.913 0.02 1
855 78 80 ASP HA H 4.215 0.02 1
856 78 80 ASP HB2 H 2.336 0.02 2
857 78 80 ASP HB3 H 2.713 0.02 2
858 78 80 ASP C C 176.196 0.2 1
859 78 80 ASP CA C 55.52 0.2 1
860 78 80 ASP CB C 39.365 0.2 1
861 78 80 ASP N N 124.627 0.2 1
862 79 81 GLY H H 8.009 0.02 1
863 79 81 GLY HA2 H 3.461 0.02 2
864 79 81 GLY HA3 H 4.142 0.02 2
865 79 81 GLY C C 173.772 0.2 1
866 79 81 GLY CA C 45.454 0.2 1
867 79 81 GLY N N 103.284 0.2 1
868 80 82 ARG H H 7.777 0.02 1
869 80 82 ARG HA H 4.633 0.02 1
870 80 82 ARG HB2 H 1.794 0.02 2
871 80 82 ARG HB3 H 1.6 0.02 2
872 80 82 ARG HG2 H 1.635 0.02 2
873 80 82 ARG HG3 H 1.52 0.02 2
874 80 82 ARG HD2 H 3.106 0.02 1
875 80 82 ARG HD3 H 3.106 0.02 1
876 80 82 ARG C C 173.473 0.2 1
877 80 82 ARG CA C 53.538 0.2 1
878 80 82 ARG CB C 33.576 0.2 1
879 80 82 ARG CG C 26.922 0.2 1
880 80 82 ARG CD C 42.762 0.2 1
881 80 82 ARG N N 122.053 0.2 1
882 81 83 LYS H H 8.454 0.02 1
883 81 83 LYS HA H 4.142 0.02 1
884 81 83 LYS HB2 H 1.497 0.02 2
885 81 83 LYS HB3 H 1.675 0.02 2
886 81 83 LYS HG2 H 1.304 0.02 1
887 81 83 LYS HG3 H 1.304 0.02 1
888 81 83 LYS HD2 H 1.616 0.02 1
889 81 83 LYS HD3 H 1.616 0.02 1
890 81 83 LYS HE2 H 2.938 0.02 1
891 81 83 LYS HE3 H 2.938 0.02 1
892 81 83 LYS C C 174.145 0.2 1
893 81 83 LYS CA C 57.474 0.2 1
894 81 83 LYS CB C 31.771 0.2 1
895 81 83 LYS CG C 24.879 0.2 1
896 81 83 LYS CD C 29.682 0.2 1
897 81 83 LYS N N 124.548 0.2 1
898 82 84 ALA H H 8.857 0.02 1
899 82 84 ALA HA H 4.659 0.02 1
900 82 84 ALA HB H 1.255 0.02 1
901 82 84 ALA C C 175.167 0.2 1
902 82 84 ALA CA C 51.074 0.2 1
903 82 84 ALA CB C 21.088 0.2 1
904 82 84 ALA N N 134.916 0.2 1
905 83 85 ASN H H 8.2 0.02 1
906 83 85 ASN HA H 5.482 0.02 1
907 83 85 ASN HB2 H 2.492 0.02 2
908 83 85 ASN HB3 H 2.679 0.02 2
909 83 85 ASN HD21 H 7.614 0.02 2
910 83 85 ASN HD22 H 6.828 0.02 2
911 83 85 ASN C C 173.448 0.2 1
912 83 85 ASN CA C 52.881 0.2 1
913 83 85 ASN CB C 41.268 0.2 1
914 83 85 ASN N N 115.15 0.2 1
915 83 85 ASN ND2 N 113.547 0.2 1
916 84 86 VAL H H 8.748 0.02 1
917 84 86 VAL HA H 5.36 0.02 1
918 84 86 VAL HB H 1.994 0.02 1
919 84 86 VAL HG1 H 1.054 0.02 1
920 84 86 VAL HG2 H 0.999 0.02 1
921 84 86 VAL C C 175.989 0.2 1
922 84 86 VAL CA C 60.205 0.2 1
923 84 86 VAL CB C 35.447 0.2 1
924 84 86 VAL CG1 C 23.045 0.2 1
925 84 86 VAL CG2 C 22.692 0.2 1
926 84 86 VAL N N 120.477 0.2 1
927 85 87 ASN H H 8.771 0.02 1
928 85 87 ASN HA H 4.882 0.02 1
929 85 87 ASN HB2 H 2.764 0.02 2
930 85 87 ASN HB3 H 2.978 0.02 2
931 85 87 ASN HD21 H 7.055 0.02 2
932 85 87 ASN HD22 H 6.986 0.02 2
933 85 87 ASN C C 173.757 0.2 1
934 85 87 ASN CA C 53.094 0.2 1
935 85 87 ASN CB C 42.203 0.2 1
936 85 87 ASN N N 118.958 0.2 1
937 85 87 ASN ND2 N 113.4 0.2 1
938 86 88 LEU H H 9.246 0.02 1
939 86 88 LEU HA H 4.464 0.02 1
940 86 88 LEU HB2 H 1.73 0.02 2
941 86 88 LEU HB3 H 1.828 0.02 2
942 86 88 LEU HG H 2.002 0.02 1
943 86 88 LEU HD1 H 1.242 0.02 1
944 86 88 LEU HD2 H 0.814 0.02 1
945 86 88 LEU C C 178.773 0.2 1
946 86 88 LEU CA C 56.895 0.2 1
947 86 88 LEU CB C 41.928 0.2 1
948 86 88 LEU CG C 27.343 0.2 1
949 86 88 LEU CD1 C 26.696 0.2 1
950 86 88 LEU CD2 C 23.226 0.2 1
951 86 88 LEU N N 123.113 0.2 1
952 87 89 ALA H H 9.276 0.02 1
953 87 89 ALA HA H 4.127 0.02 1
954 87 89 ALA HB H 1.489 0.02 1
955 87 89 ALA C C 179.555 0.2 1
956 87 89 ALA CA C 54.886 0.2 1
957 87 89 ALA CB C 18.106 0.2 1
958 87 89 ALA N N 127.304 0.2 1
959 88 90 TYR H H 9.013 0.02 1
960 88 90 TYR HA H 4.411 0.02 1
961 88 90 TYR HB2 H 2.846 0.02 2
962 88 90 TYR HB3 H 3.192 0.02 2
963 88 90 TYR HD1 H 7.034 0.02 1
964 88 90 TYR HD2 H 7.034 0.02 1
965 88 90 TYR HE1 H 6.711 0.02 1
966 88 90 TYR HE2 H 6.711 0.02 1
967 88 90 TYR C C 175.635 0.2 1
968 88 90 TYR CA C 59.189 0.2 1
969 88 90 TYR CB C 37.089 0.2 1
970 88 90 TYR CD1 C 133.795 0.2 1
971 88 90 TYR CD2 C 133.795 0.2 1
972 88 90 TYR CE1 C 118.078 0.2 1
973 88 90 TYR CE2 C 118.078 0.2 1
974 88 90 TYR N N 117.391 0.2 1
975 89 91 LEU H H 7.095 0.02 1
976 89 91 LEU HA H 3.889 0.02 1
977 89 91 LEU HB2 H 1.377 0.02 2
978 89 91 LEU HB3 H 1.497 0.02 2
979 89 91 LEU HG H 0.661 0.02 1
980 89 91 LEU HD1 H 0.863 0.02 1
981 89 91 LEU HD2 H 0.596 0.02 1
982 89 91 LEU C C 177.675 0.2 1
983 89 91 LEU CA C 55.098 0.2 1
984 89 91 LEU CB C 42.2 0.2 1
985 89 91 LEU CG C 26.206 0.2 1
986 89 91 LEU CD1 C 25.959 0.2 1
987 89 91 LEU CD2 C 22.932 0.2 1
988 89 91 LEU N N 120.902 0.2 1
989 90 92 GLY H H 7.521 0.02 1
990 90 92 GLY HA2 H 3.625 0.02 2
991 90 92 GLY HA3 H 3.842 0.02 2
992 90 92 GLY C C 172.546 0.2 1
993 90 92 GLY CA C 45.257 0.2 1
994 90 92 GLY N N 107.845 0.2 1
995 91 93 ALA H H 7.963 0.02 1
996 91 93 ALA HA H 3.8 0.02 1
997 91 93 ALA HB H 1.146 0.02 1
998 91 93 ALA C C 176.59 0.2 1
999 91 93 ALA CA C 51.598 0.2 1
1000 91 93 ALA CB C 19.554 0.2 1
1001 91 93 ALA N N 124.396 0.2 1
1002 92 94 LYS H H 7.617 0.02 1
1003 92 94 LYS HA H 4.414 0.02 1
1004 92 94 LYS HB2 H 1.502 0.02 2
1005 92 94 LYS HB3 H 1.661 0.02 2
1006 92 94 LYS HG2 H 1.296 0.02 1
1007 92 94 LYS HG3 H 1.296 0.02 1
1008 92 94 LYS HD2 H 1.603 0.02 1
1009 92 94 LYS HD3 H 1.603 0.02 1
1010 92 94 LYS HE2 H 2.93 0.02 1
1011 92 94 LYS HE3 H 2.93 0.02 1
1012 92 94 LYS CA C 53.907 0.2 1
1013 92 94 LYS CB C 32.685 0.2 1
1014 92 94 LYS CG C 24.5 0.2 1
1015 92 94 LYS CD C 28.97 0.2 1
1016 92 94 LYS CE C 42.008 0.2 1
1017 92 94 LYS N N 120.628 0.2 1
1018 93 95 PRO HA H 4.326 0.02 1
1019 93 95 PRO HB2 H 1.783 0.02 2
1020 93 95 PRO HB3 H 2.131 0.02 2
1021 93 95 PRO HG2 H 1.744 0.02 2
1022 93 95 PRO HG3 H 1.873 0.02 2
1023 93 95 PRO HD2 H 3.481 0.02 1
1024 93 95 PRO HD3 H 3.481 0.02 1
1025 93 95 PRO C C 176.641 0.2 1
1026 93 95 PRO CA C 63.02 0.2 1
1027 93 95 PRO CB C 32.267 0.2 1
1028 93 95 PRO CG C 27.479 0.2 1
1029 93 95 PRO CD C 50.477 0.2 1
1030 94 96 ARG H H 8.4 0.02 1
1031 94 96 ARG HA H 4.211 0.02 1
1032 94 96 ARG HB2 H 1.746 0.02 1
1033 94 96 ARG HB3 H 1.746 0.02 1
1034 94 96 ARG HG2 H 1.564 0.02 1
1035 94 96 ARG HG3 H 1.564 0.02 1
1036 94 96 ARG HD2 H 3.122 0.02 1
1037 94 96 ARG HD3 H 3.122 0.02 1
1038 94 96 ARG C C 176.193 0.2 1
1039 94 96 ARG CA C 56.457 0.2 1
1040 94 96 ARG CB C 30.751 0.2 1
1041 94 96 ARG CG C 27.16 0.2 1
1042 94 96 ARG CD C 43.299 0.2 1
1043 94 96 ARG N N 121.649 0.2 1
1044 95 97 ILE H H 8.053 0.02 1
1045 95 97 ILE HA H 4.092 0.02 1
1046 95 97 ILE HB H 1.808 0.02 1
1047 95 97 ILE HG12 H 1.417 0.02 2
1048 95 97 ILE HG13 H 1.15 0.02 2
1049 95 97 ILE HG2 H 0.838 0.02 1
1050 95 97 ILE HD1 H 0.809 0.02 1
1051 95 97 ILE C C 175.966 0.2 1
1052 95 97 ILE CA C 61.007 0.2 1
1053 95 97 ILE CB C 38.559 0.2 1
1054 95 97 ILE CG1 C 27.304 0.2 1
1055 95 97 ILE CG2 C 17.582 0.2 1
1056 95 97 ILE CD1 C 12.907 0.2 1
1057 95 97 ILE N N 121.25 0.2 1
1058 96 98 MET H H 8.354 0.02 1
1059 96 98 MET HA H 4.453 0.02 1
1060 96 98 MET HB2 H 1.93 0.02 2
1061 96 98 MET HB3 H 2.025 0.02 2
1062 96 98 MET HG2 H 2.445 0.02 2
1063 96 98 MET HG3 H 2.554 0.02 2
1064 96 98 MET HE H 2.022 0.02 1
1065 96 98 MET C C 175.673 0.2 1
1066 96 98 MET CA C 55.055 0.2 1
1067 96 98 MET CB C 32.738 0.2 1
1068 96 98 MET CG C 32.182 0.2 1
1069 96 98 MET CE C 16.778 0.2 1
1070 96 98 MET N N 124.128 0.2 1
1071 97 99 GLN H H 8.246 0.02 1
1072 97 99 GLN HA H 4.601 0.02 1
1073 97 99 GLN HB2 H 1.284 0.02 2
1074 97 99 GLN HB3 H 1.385 0.02 2
1075 97 99 GLN HG2 H 2.312 0.02 2
1076 97 99 GLN HG3 H 2.449 0.02 2
1077 97 99 GLN HE21 H 7.55 0.02 2
1078 97 99 GLN HE22 H 6.852 0.02 2
1079 97 99 GLN CA C 53.641 0.2 1
1080 97 99 GLN CB C 28.978 0.2 1
1081 97 99 GLN N N 122.537 0.2 1
1082 97 99 GLN NE2 N 112.822 0.2 1
1083 98 100 PRO HA H 4.381 0.02 1
1084 98 100 PRO HB2 H 2.257 0.02 2
1085 98 100 PRO HB3 H 1.859 0.02 2
1086 98 100 PRO HG2 H 2.039 0.02 2
1087 98 100 PRO HG3 H 1.958 0.02 2
1088 98 100 PRO HD2 H 3.757 0.02 2
1089 98 100 PRO HD3 H 3.658 0.02 2
1090 98 100 PRO C C 177.415 0.2 1
1091 98 100 PRO CA C 63.933 0.2 1
1092 98 100 PRO CB C 31.892 0.2 1
1093 98 100 PRO CG C 27.503 0.2 1
1094 98 100 PRO CD C 50.84 0.2 1
1095 99 101 GLY H H 8.513 0.02 1
1096 99 101 GLY HA2 H 3.922 0.02 2
1097 99 101 GLY HA3 H 3.788 0.02 2
1098 99 101 GLY C C 173.947 0.2 1
1099 99 101 GLY CA C 45.204 0.2 1
1100 99 101 GLY N N 109.492 0.2 1
1101 100 102 PHE H H 7.938 0.02 1
1102 100 102 PHE HA H 4.502 0.02 1
1103 100 102 PHE HB2 H 2.987 0.02 1
1104 100 102 PHE HB3 H 2.987 0.02 1
1105 100 102 PHE HD1 H 7.128 0.02 1
1106 100 102 PHE HD2 H 7.128 0.02 1
1107 100 102 PHE HE1 H 7.255 0.02 1
1108 100 102 PHE HE2 H 7.255 0.02 1
1109 100 102 PHE HZ H 7.322 0.02 1
1110 100 102 PHE C C 175.179 0.2 1
1111 100 102 PHE CA C 57.827 0.2 1
1112 100 102 PHE CB C 39.72 0.2 1
1113 100 102 PHE CD1 C 131.974 0.2 1
1114 100 102 PHE CD2 C 131.974 0.2 1
1115 100 102 PHE CE1 C 131.974 0.2 1
1116 100 102 PHE CE2 C 131.974 0.2 1
1117 100 102 PHE CZ C 131.453 0.2 1
1118 100 102 PHE N N 120.052 0.2 1
1119 101 103 ALA H H 8.048 0.02 1
1120 101 103 ALA HA H 4.234 0.02 1
1121 101 103 ALA HB H 1.197 0.02 1
1122 101 103 ALA C C 178.012 0.2 1
1123 101 103 ALA CA C 52.25 0.2 1
1124 101 103 ALA CB C 19.41 0.2 1
1125 101 103 ALA N N 125.624 0.2 1
1126 102 104 PHE H H 7.966 0.02 1
1127 102 104 PHE HA H 4.571 0.02 1
1128 102 104 PHE HB2 H 3.171 0.02 2
1129 102 104 PHE HB3 H 2.958 0.02 2
1130 102 104 PHE HD1 H 7.24 0.02 1
1131 102 104 PHE HD2 H 7.24 0.02 1
1132 102 104 PHE HE1 H 7.134 0.02 1
1133 102 104 PHE HE2 H 7.134 0.02 1
1134 102 104 PHE HZ H 7.249 0.02 1
1135 102 104 PHE C C 175.119 0.2 1
1136 102 104 PHE CA C 57.66 0.2 1
1137 102 104 PHE CB C 39.79 0.2 1
1138 102 104 PHE CD1 C 131.817 0.2 1
1139 102 104 PHE CD2 C 131.817 0.2 1
1140 102 104 PHE CE1 C 131.869 0.2 1
1141 102 104 PHE CE2 C 131.869 0.2 1
1142 102 104 PHE CZ C 129.788 0.2 1
1143 102 104 PHE N N 119.334 0.2 1
1144 103 105 GLY H H 7.866 0.02 1
1145 103 105 GLY HA2 H 3.719 0.02 1
1146 103 105 GLY HA3 H 3.719 0.02 1
1147 103 105 GLY CA C 46.155 0.2 1
1148 103 105 GLY N N 116.369 0.2 1
stop_
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