data_30398
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of Musashi2 RRM1
;
_BMRB_accession_number 30398
_BMRB_flat_file_name bmr30398.str
_Entry_type original
_Submission_date 2018-01-25
_Accession_date 2018-01-25
_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 Xing M. . .
2 Lan L. . .
3 Douglas J. T. .
4 Gao P. . .
5 Hanzlik R. P. .
6 Xu L. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 642
"13C chemical shifts" 477
"15N chemical shifts" 107
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2019-01-24 original BMRB .
stop_
_Original_release_date 2018-08-15
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of Musashi2 RRM1
;
_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 Xing M. . .
2 Lan L. . .
3 Douglas J. T. .
4 Gao P. . .
5 Hanzlik R. P. .
6 Xu L. . .
stop_
_Journal_abbreviation 'To be Published'
_Journal_volume .
_Journal_issue .
_Journal_CSD 0353
_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 'RNA-binding protein Musashi homolog 2'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity_1 $entity_1
stop_
_System_molecular_weight .
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity_1
_Molecular_mass 13154.963
_Mol_thiol_state 'all free'
_Details 'RRM 1 domain (UNP residues 21-111)'
##############################
# Polymer residue sequence #
##############################
_Residue_count 115
_Mol_residue_sequence
;
MHHHHHHSTSVDLGTENLYF
QSNAGKMFIGGLSWQTSPDS
LRDYFSKFGEIRECMVMRDP
TTKRSRGFGFVTFADPASVD
KVLGQPHHELDSKTIDPKVA
FPRRAQPKMVTRTKK
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -3 MET 2 -2 HIS 3 -1 HIS 4 0 HIS 5 1 HIS
6 2 HIS 7 3 HIS 8 4 SER 9 5 THR 10 6 SER
11 7 VAL 12 8 ASP 13 9 LEU 14 10 GLY 15 11 THR
16 12 GLU 17 13 ASN 18 14 LEU 19 15 TYR 20 16 PHE
21 17 GLN 22 18 SER 23 19 ASN 24 20 ALA 25 21 GLY
26 22 LYS 27 23 MET 28 24 PHE 29 25 ILE 30 26 GLY
31 27 GLY 32 28 LEU 33 29 SER 34 30 TRP 35 31 GLN
36 32 THR 37 33 SER 38 34 PRO 39 35 ASP 40 36 SER
41 37 LEU 42 38 ARG 43 39 ASP 44 40 TYR 45 41 PHE
46 42 SER 47 43 LYS 48 44 PHE 49 45 GLY 50 46 GLU
51 47 ILE 52 48 ARG 53 49 GLU 54 50 CYS 55 51 MET
56 52 VAL 57 53 MET 58 54 ARG 59 55 ASP 60 56 PRO
61 57 THR 62 58 THR 63 59 LYS 64 60 ARG 65 61 SER
66 62 ARG 67 63 GLY 68 64 PHE 69 65 GLY 70 66 PHE
71 67 VAL 72 68 THR 73 69 PHE 74 70 ALA 75 71 ASP
76 72 PRO 77 73 ALA 78 74 SER 79 75 VAL 80 76 ASP
81 77 LYS 82 78 VAL 83 79 LEU 84 80 GLY 85 81 GLN
86 82 PRO 87 83 HIS 88 84 HIS 89 85 GLU 90 86 LEU
91 87 ASP 92 88 SER 93 89 LYS 94 90 THR 95 91 ILE
96 92 ASP 97 93 PRO 98 94 LYS 99 95 VAL 100 96 ALA
101 97 PHE 102 98 PRO 103 99 ARG 104 100 ARG 105 101 ALA
106 102 GLN 107 103 PRO 108 104 LYS 109 105 MET 110 106 VAL
111 107 THR 112 108 ARG 113 109 THR 114 110 LYS 115 111 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
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
$entity_1 Human 9606 Eukaryota Metazoa Homo sapiens MSI2
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
$entity_1 'recombinant technology' . Escherichia coli . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '0.5 mM [U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.5 mM '[U-90% 15N]'
NaCl 150 mM 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details
;
0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1,
1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1,
95% H2O/5% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.7 mM '[U-95% 13C; U-90% 15N]'
NaCl 150 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name CNS
_Version 1.3
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
'structure calculation'
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name CcpNMR
_Version .
loop_
_Vendor
_Address
_Electronic_address
CCPN . .
stop_
loop_
_Task
'chemical shift assignment'
'peak picking'
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name NMRView
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Johnson, One Moon Scientific' . .
stop_
loop_
_Task
'peak picking'
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name TOPSPIN
_Version 2.1pl6
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_6
_Saveframe_category software
_Name NMRDraw
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AvanceIII
_Field_strength 600
_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_3D_CBCA(CO)NH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_2
save_
save_3D_HCCH-TOCSY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_2
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_2
save_
save_3D_HNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_2
save_
save_3D_HNCO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_2
save_
save_3D_HN(CO)CA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_2
save_
save_3D_HNCACO_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACO'
_Sample_label $sample_2
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_2
save_
save_3D_1H-13C_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_2
save_
save_2D_1H-15N_HSQC_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_HCCH-COSY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY'
_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' 150 . mM
pH 6.0 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_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 0.000 internal indirect . . . 0.25144953
DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D CBCA(CO)NH'
'3D HCCH-TOCSY'
'3D HNCACB'
'3D HNCA'
'3D HNCO'
'3D HN(CO)CA'
'3D HNCACO'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY'
'3D HCCH-COSY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chem_shift_reference_1
_Mol_system_component_name entity_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 4 8 SER HA H 4.40 0.03 1
2 4 8 SER HB2 H 3.86 0.03 2
3 4 8 SER HB3 H 3.86 0.03 2
4 4 8 SER C C 174.63 0.1 1
5 4 8 SER CA C 58.47 0.5 1
6 4 8 SER CB C 63.93 0.5 1
7 5 9 THR H H 8.28 0.03 1
8 5 9 THR HA H 4.67 0.03 1
9 5 9 THR HB H 3.84 0.03 1
10 5 9 THR HG2 H 1.22 0.03 1
11 5 9 THR C C 174.57 0.1 1
12 5 9 THR CA C 61.89 0.5 1
13 5 9 THR CB C 69.88 0.5 1
14 5 9 THR CG2 C 21.64 0.5 1
15 5 9 THR N N 115.61 0.25 1
16 6 10 SER H H 8.30 0.03 1
17 6 10 SER HA H 4.53 0.03 1
18 6 10 SER HB2 H 3.85 0.03 2
19 6 10 SER HB3 H 3.85 0.03 2
20 6 10 SER C C 174.52 0.1 1
21 6 10 SER CA C 58.41 0.5 1
22 6 10 SER CB C 63.86 0.5 1
23 6 10 SER N N 117.99 0.25 1
24 7 11 VAL H H 8.07 0.03 1
25 7 11 VAL HA H 4.13 0.03 1
26 7 11 VAL HB H 2.07 0.03 1
27 7 11 VAL HG1 H 0.93 0.03 2
28 7 11 VAL HG2 H 0.88 0.03 2
29 7 11 VAL C C 175.57 0.1 1
30 7 11 VAL CA C 62.22 0.5 1
31 7 11 VAL CB C 32.74 0.5 1
32 7 11 VAL CG1 C 21.17 0.5 2
33 7 11 VAL CG2 C 20.91 0.5 2
34 7 11 VAL N N 121.14 0.25 1
35 8 12 ASP H H 8.32 0.03 1
36 8 12 ASP HA H 4.64 0.03 1
37 8 12 ASP HB2 H 2.58 0.03 2
38 8 12 ASP HB3 H 2.75 0.03 2
39 8 12 ASP C C 176.20 0.1 1
40 8 12 ASP CA C 55.60 0.5 1
41 8 12 ASP CB C 41.22 0.5 1
42 8 12 ASP N N 123.66 0.25 1
43 9 13 LEU H H 8.32 0.03 1
44 9 13 LEU HA H 4.31 0.03 1
45 9 13 LEU HB2 H 1.66 0.03 2
46 9 13 LEU HB3 H 1.61 0.03 2
47 9 13 LEU HG H 1.62 0.03 1
48 9 13 LEU HD1 H 0.82 0.03 2
49 9 13 LEU HD2 H 0.90 0.03 2
50 9 13 LEU C C 178.13 0.1 1
51 9 13 LEU CA C 55.53 0.5 1
52 9 13 LEU CB C 42.33 0.5 1
53 9 13 LEU CG C 27.02 0.5 1
54 9 13 LEU CD1 C 23.36 0.5 2
55 9 13 LEU CD2 C 25.23 0.5 2
56 9 13 LEU N N 123.64 0.25 1
57 10 14 GLY H H 8.51 0.03 1
58 10 14 GLY HA2 H 4.01 0.03 2
59 10 14 GLY HA3 H 4.01 0.03 2
60 10 14 GLY C C 174.90 0.1 1
61 10 14 GLY CA C 45.72 0.5 1
62 10 14 GLY N N 109.06 0.25 1
63 11 15 THR H H 7.97 0.03 1
64 11 15 THR HA H 4.32 0.03 1
65 11 15 THR HB H 4.27 0.03 1
66 11 15 THR HG2 H 1.21 0.03 1
67 11 15 THR C C 175.11 0.1 1
68 11 15 THR CA C 62.45 0.5 1
69 11 15 THR CB C 69.35 0.5 1
70 11 15 THR CG2 C 21.29 0.5 1
71 11 15 THR N N 113.03 0.25 1
72 12 16 GLU H H 8.52 0.03 1
73 12 16 GLU HA H 4.25 0.03 1
74 12 16 GLU HB2 H 2.04 0.03 2
75 12 16 GLU HB3 H 1.96 0.03 2
76 12 16 GLU HG2 H 2.27 0.03 2
77 12 16 GLU HG3 H 2.27 0.03 2
78 12 16 GLU C C 176.47 0.1 1
79 12 16 GLU CA C 57.50 0.1 1
80 12 16 GLU CB C 29.80 0.1 1
81 12 16 GLU CG C 36.19 0.1 1
82 12 16 GLU N N 122.51 0.25 1
83 13 17 ASN H H 8.33 0.03 1
84 13 17 ASN HA H 4.62 0.03 1
85 13 17 ASN HB2 H 2.71 0.03 2
86 13 17 ASN HB3 H 2.71 0.03 2
87 13 17 ASN HD21 H 6.88 0.03 1
88 13 17 ASN HD22 H 7.57 0.03 1
89 13 17 ASN C C 175.53 0.1 1
90 13 17 ASN CA C 53.84 0.5 1
91 13 17 ASN CB C 38.73 0.5 1
92 13 17 ASN CG C 176.73 0.1 1
93 13 17 ASN N N 118.57 0.25 1
94 13 17 ASN ND2 N 112.96 0.25 1
95 14 18 LEU H H 8.00 0.03 1
96 14 18 LEU HA H 4.15 0.03 1
97 14 18 LEU HB2 H 1.48 0.03 2
98 14 18 LEU HB3 H 1.33 0.03 2
99 14 18 LEU HG H 1.64 0.03 1
100 14 18 LEU HD1 H 0.84 0.03 2
101 14 18 LEU HD2 H 0.77 0.03 2
102 14 18 LEU C C 177.43 0.1 1
103 14 18 LEU CA C 56.00 0.5 1
104 14 18 LEU CB C 42.05 0.5 1
105 14 18 LEU CG C 26.87 0.5 1
106 14 18 LEU CD1 C 24.93 0.5 2
107 14 18 LEU CD2 C 23.54 0.5 2
108 14 18 LEU N N 121.78 0.25 1
109 15 19 TYR H H 7.96 0.03 1
110 15 19 TYR HA H 4.53 0.03 1
111 15 19 TYR HB2 H 2.90 0.03 2
112 15 19 TYR HB3 H 2.84 0.03 2
113 15 19 TYR HD1 H 6.93 0.03 3
114 15 19 TYR HD2 H 6.93 0.03 3
115 15 19 TYR HE1 H 7.20 0.03 3
116 15 19 TYR HE2 H 7.20 0.03 3
117 15 19 TYR C C 176.00 0.1 1
118 15 19 TYR CA C 58.59 0.5 1
119 15 19 TYR CB C 38.33 0.5 1
120 15 19 TYR N N 119.16 0.25 1
121 16 20 PHE H H 7.88 0.03 1
122 16 20 PHE HA H 4.47 0.03 1
123 16 20 PHE HB2 H 3.14 0.03 2
124 16 20 PHE HB3 H 2.94 0.03 2
125 16 20 PHE C C 175.81 0.1 1
126 16 20 PHE CA C 58.22 0.5 1
127 16 20 PHE CB C 39.34 0.5 1
128 16 20 PHE N N 119.78 0.25 1
129 17 21 GLN H H 8.11 0.03 1
130 17 21 GLN HA H 4.20 0.03 1
131 17 21 GLN HB2 H 1.95 0.03 2
132 17 21 GLN HB3 H 2.05 0.03 2
133 17 21 GLN HG2 H 2.30 0.03 2
134 17 21 GLN HG3 H 2.30 0.03 2
135 17 21 GLN HE21 H 6.84 0.03 1
136 17 21 GLN HE22 H 7.48 0.03 1
137 17 21 GLN C C 176.28 0.1 1
138 17 21 GLN CA C 56.24 0.5 1
139 17 21 GLN CB C 29.12 0.5 1
140 17 21 GLN CG C 33.12 0.5 1
141 17 21 GLN N N 120.80 0.25 1
142 17 21 GLN NE2 N 112.38 0.25 1
143 18 22 SER C C 174.58 0.1 1
144 18 22 SER CA C 58.99 0.5 1
145 18 22 SER CB C 63.93 0.5 1
146 19 23 ASN H H 8.19 0.03 1
147 19 23 ASN HA H 4.72 0.03 1
148 19 23 ASN HB2 H 2.77 0.03 2
149 19 23 ASN HB3 H 2.77 0.03 2
150 19 23 ASN HD21 H 6.77 0.03 1
151 19 23 ASN HD22 H 7.36 0.03 1
152 19 23 ASN C C 175.28 0.1 1
153 19 23 ASN CA C 53.46 0.5 1
154 19 23 ASN CB C 39.47 0.5 1
155 19 23 ASN CG C 176.58 0.1 1
156 19 23 ASN N N 119.93 0.25 1
157 19 23 ASN ND2 N 113.31 0.25 1
158 20 24 ALA H H 8.21 0.03 1
159 20 24 ALA HA H 4.22 0.03 1
160 20 24 ALA HB H 1.40 0.03 1
161 20 24 ALA C C 178.07 0.1 1
162 20 24 ALA CA C 54.02 0.5 1
163 20 24 ALA CB C 18.66 0.5 1
164 20 24 ALA N N 124.18 0.25 1
165 21 25 GLY H H 8.85 0.03 1
166 21 25 GLY HA2 H 4.02 0.03 2
167 21 25 GLY HA3 H 4.02 0.03 2
168 21 25 GLY C C 172.74 0.1 1
169 21 25 GLY CA C 45.25 0.5 1
170 21 25 GLY N N 106.27 0.25 1
171 22 26 LYS H H 7.67 0.03 1
172 22 26 LYS HA H 5.07 0.03 1
173 22 26 LYS HB2 H 1.69 0.03 2
174 22 26 LYS HB3 H 1.96 0.03 2
175 22 26 LYS HG2 H 1.17 0.03 2
176 22 26 LYS HG3 H 1.17 0.03 2
177 22 26 LYS HD2 H 1.45 0.03 2
178 22 26 LYS HD3 H 1.45 0.03 2
179 22 26 LYS HE2 H 2.48 0.03 2
180 22 26 LYS HE3 H 2.44 0.03 2
181 22 26 LYS C C 175.71 0.1 1
182 22 26 LYS CA C 56.39 0.5 1
183 22 26 LYS CB C 34.65 0.5 1
184 22 26 LYS CG C 25.35 0.5 1
185 22 26 LYS CD C 29.87 0.5 1
186 22 26 LYS CE C 41.81 0.5 1
187 22 26 LYS N N 121.31 0.25 1
188 23 27 MET H H 9.54 0.03 1
189 23 27 MET HA H 5.03 0.03 1
190 23 27 MET HB2 H 2.01 0.03 2
191 23 27 MET HB3 H 1.64 0.03 2
192 23 27 MET HG2 H 2.58 0.03 2
193 23 27 MET HG3 H 1.92 0.03 2
194 23 27 MET HE H 1.68 0.03 1
195 23 27 MET C C 174.53 0.1 1
196 23 27 MET CA C 55.50 0.5 1
197 23 27 MET CB C 37.02 0.5 1
198 23 27 MET CG C 33.59 0.5 1
199 23 27 MET CE C 18.10 0.5 1
200 23 27 MET N N 123.59 0.25 1
201 24 28 PHE H H 8.80 0.03 1
202 24 28 PHE HA H 4.56 0.03 1
203 24 28 PHE HB2 H 2.74 0.03 2
204 24 28 PHE HB3 H 2.60 0.03 2
205 24 28 PHE HD1 H 6.92 0.03 3
206 24 28 PHE HD2 H 6.92 0.03 3
207 24 28 PHE HE1 H 6.90 0.03 3
208 24 28 PHE HE2 H 6.90 0.03 3
209 24 28 PHE C C 173.51 0.1 1
210 24 28 PHE CA C 55.26 0.5 1
211 24 28 PHE CB C 41.07 0.5 1
212 24 28 PHE CD1 C 131.60 0.5 3
213 24 28 PHE CD2 C 131.60 0.5 3
214 24 28 PHE CE1 C 130.50 0.5 3
215 24 28 PHE CE2 C 130.50 0.5 3
216 24 28 PHE N N 124.50 0.25 1
217 25 29 ILE H H 8.37 0.03 1
218 25 29 ILE HA H 4.16 0.03 1
219 25 29 ILE HB H 1.57 0.03 1
220 25 29 ILE HG12 H 0.89 0.03 1
221 25 29 ILE HG13 H 1.03 0.03 1
222 25 29 ILE HG2 H 0.69 0.03 1
223 25 29 ILE HD1 H 0.21 0.03 1
224 25 29 ILE C C 174.00 0.1 1
225 25 29 ILE CA C 58.89 0.5 1
226 25 29 ILE CB C 36.99 0.5 1
227 25 29 ILE CG1 C 27.01 0.5 1
228 25 29 ILE CG2 C 20.79 0.5 1
229 25 29 ILE CD1 C 12.27 0.5 1
230 25 29 ILE N N 126.31 0.25 1
231 26 30 GLY H H 7.77 0.03 1
232 26 30 GLY HA2 H 4.50 0.03 1
233 26 30 GLY HA3 H 3.92 0.03 1
234 26 30 GLY C C 174.38 0.1 1
235 26 30 GLY CA C 43.83 0.5 1
236 26 30 GLY N N 112.65 0.25 1
237 27 31 GLY H H 8.57 0.03 1
238 27 31 GLY HA2 H 3.82 0.03 2
239 27 31 GLY HA3 H 4.03 0.03 2
240 27 31 GLY C C 174.81 0.1 1
241 27 31 GLY CA C 46.65 0.5 1
242 27 31 GLY N N 107.36 0.25 1
243 28 32 LEU H H 7.53 0.03 1
244 28 32 LEU HA H 4.11 0.03 1
245 28 32 LEU HB2 H 1.25 0.03 2
246 28 32 LEU HB3 H 1.08 0.03 2
247 28 32 LEU HG H 1.36 0.03 1
248 28 32 LEU HD1 H 0.50 0.03 1
249 28 32 LEU HD2 H 0.65 0.03 1
250 28 32 LEU C C 178.92 0.1 1
251 28 32 LEU CA C 54.23 0.5 1
252 28 32 LEU CB C 42.87 0.5 1
253 28 32 LEU CG C 27.02 0.5 1
254 28 32 LEU CD1 C 26.48 0.5 1
255 28 32 LEU CD2 C 23.63 0.5 1
256 28 32 LEU N N 114.44 0.25 1
257 29 33 SER H H 9.18 0.03 1
258 29 33 SER HA H 4.29 0.03 1
259 29 33 SER HB2 H 3.94 0.03 1
260 29 33 SER HB3 H 3.89 0.03 1
261 29 33 SER C C 177.41 0.1 1
262 29 33 SER CA C 57.81 0.5 1
263 29 33 SER CB C 63.03 0.5 1
264 29 33 SER N N 115.93 0.25 1
265 30 34 TRP H H 8.50 0.03 1
266 30 34 TRP HA H 4.40 0.03 1
267 30 34 TRP HB2 H 3.49 0.03 2
268 30 34 TRP HB3 H 3.35 0.03 2
269 30 34 TRP HD1 H 7.46 0.03 1
270 30 34 TRP HE1 H 10.23 0.03 1
271 30 34 TRP HE3 H 7.46 0.03 1
272 30 34 TRP HZ2 H 7.49 0.03 1
273 30 34 TRP HZ3 H 7.49 0.03 1
274 30 34 TRP HH2 H 7.24 0.03 1
275 30 34 TRP C C 176.42 0.1 1
276 30 34 TRP CA C 59.10 0.5 1
277 30 34 TRP CB C 27.89 0.5 1
278 30 34 TRP CD1 C 128.01 0.5 1
279 30 34 TRP CZ2 C 114.77 0.5 1
280 30 34 TRP CZ3 C 120.28 0.5 1
281 30 34 TRP CH2 C 124.64 0.5 1
282 30 34 TRP N N 128.47 0.25 1
283 30 34 TRP NE1 N 129.81 0.25 1
284 31 35 GLN H H 7.73 0.03 1
285 31 35 GLN HA H 3.93 0.03 1
286 31 35 GLN HB2 H 1.48 0.03 2
287 31 35 GLN HB3 H 1.48 0.03 2
288 31 35 GLN HG2 H 1.53 0.03 2
289 31 35 GLN HG3 H 1.41 0.03 2
290 31 35 GLN HE21 H 6.75 0.03 1
291 31 35 GLN HE22 H 7.11 0.03 1
292 31 35 GLN C C 176.79 0.1 1
293 31 35 GLN CA C 56.07 0.5 1
294 31 35 GLN CB C 28.88 0.5 1
295 31 35 GLN CG C 33.21 0.5 1
296 31 35 GLN CD C 180.25 0.1 1
297 31 35 GLN N N 116.42 0.25 1
298 31 35 GLN NE2 N 111.85 0.25 1
299 32 36 THR H H 7.38 0.03 1
300 32 36 THR HA H 4.07 0.03 1
301 32 36 THR HB H 3.94 0.03 1
302 32 36 THR HG2 H 1.16 0.03 1
303 32 36 THR C C 173.28 0.1 1
304 32 36 THR CA C 64.94 0.5 1
305 32 36 THR CB C 68.57 0.5 1
306 32 36 THR CG2 C 23.49 0.5 1
307 32 36 THR N N 118.99 0.25 1
308 33 37 SER H H 8.33 0.03 1
309 33 37 SER HA H 4.50 0.03 1
310 33 37 SER HB2 H 4.05 0.03 1
311 33 37 SER HB3 H 3.86 0.03 1
312 33 37 SER C C 176.40 0.1 1
313 33 37 SER CA C 58.52 0.5 1
314 33 37 SER CB C 61.97 0.5 1
315 33 37 SER N N 125.43 0.25 1
316 34 38 PRO HA H 4.04 0.03 1
317 34 38 PRO HB2 H 2.28 0.03 2
318 34 38 PRO HB3 H 2.06 0.03 2
319 34 38 PRO HG2 H 2.37 0.03 2
320 34 38 PRO HG3 H 2.02 0.03 2
321 34 38 PRO HD2 H 3.65 0.03 2
322 34 38 PRO HD3 H 3.65 0.03 2
323 34 38 PRO C C 177.66 0.1 1
324 34 38 PRO CA C 65.86 0.5 1
325 34 38 PRO CB C 31.26 0.5 1
326 34 38 PRO CG C 28.94 0.5 1
327 34 38 PRO CD C 50.26 0.5 1
328 35 39 ASP H H 7.83 0.03 1
329 35 39 ASP HA H 4.36 0.03 1
330 35 39 ASP HB2 H 2.54 0.03 1
331 35 39 ASP HB3 H 2.75 0.03 1
332 35 39 ASP C C 177.68 0.1 1
333 35 39 ASP CA C 57.43 0.5 1
334 35 39 ASP CB C 40.32 0.5 1
335 35 39 ASP N N 115.67 0.25 1
336 36 40 SER H H 7.98 0.03 1
337 36 40 SER HA H 4.36 0.03 1
338 36 40 SER HB2 H 4.02 0.03 2
339 36 40 SER HB3 H 4.16 0.03 2
340 36 40 SER C C 177.68 0.1 1
341 36 40 SER CA C 61.14 0.5 1
342 36 40 SER CB C 62.64 0.5 1
343 36 40 SER N N 117.72 0.25 1
344 37 41 LEU H H 8.05 0.03 1
345 37 41 LEU HA H 4.11 0.03 1
346 37 41 LEU HB2 H 1.70 0.03 1
347 37 41 LEU HB3 H 1.40 0.03 1
348 37 41 LEU HG H 0.79 0.03 1
349 37 41 LEU HD1 H 0.65 0.03 1
350 37 41 LEU HD2 H 0.77 0.03 1
351 37 41 LEU C C 177.88 0.1 1
352 37 41 LEU CA C 58.21 0.5 1
353 37 41 LEU CB C 43.18 0.5 1
354 37 41 LEU CG C 26.02 0.5 1
355 37 41 LEU CD1 C 25.97 0.5 1
356 37 41 LEU CD2 C 26.04 0.5 1
357 37 41 LEU N N 122.91 0.25 1
358 38 42 ARG H H 8.43 0.03 1
359 38 42 ARG HA H 3.86 0.03 1
360 38 42 ARG HB2 H 2.17 0.03 2
361 38 42 ARG HB3 H 2.02 0.03 2
362 38 42 ARG HG2 H 1.58 0.03 2
363 38 42 ARG HG3 H 1.53 0.03 2
364 38 42 ARG HD2 H 3.30 0.03 2
365 38 42 ARG HD3 H 3.23 0.03 2
366 38 42 ARG HE H 7.41 0.03 1
367 38 42 ARG C C 178.94 0.1 1
368 38 42 ARG CA C 59.78 0.5 1
369 38 42 ARG CB C 30.28 0.5 1
370 38 42 ARG CG C 27.88 0.5 1
371 38 42 ARG CD C 43.31 0.5 1
372 38 42 ARG N N 120.40 0.25 1
373 38 42 ARG NE N 83.75 0.25 1
374 39 43 ASP H H 8.44 0.03 1
375 39 43 ASP HA H 4.32 0.03 1
376 39 43 ASP HB2 H 2.83 0.03 2
377 39 43 ASP HB3 H 2.75 0.03 2
378 39 43 ASP C C 178.41 0.1 1
379 39 43 ASP CA C 57.65 0.5 1
380 39 43 ASP CB C 40.61 0.5 1
381 39 43 ASP N N 120.12 0.25 1
382 40 44 TYR H H 7.82 0.03 1
383 40 44 TYR HA H 4.15 0.03 1
384 40 44 TYR HB2 H 3.18 0.03 1
385 40 44 TYR HB3 H 2.77 0.03 1
386 40 44 TYR HD1 H 6.16 0.03 3
387 40 44 TYR HD2 H 6.16 0.03 3
388 40 44 TYR HE1 H 6.64 0.03 3
389 40 44 TYR HE2 H 6.64 0.03 3
390 40 44 TYR C C 177.72 0.1 1
391 40 44 TYR CA C 62.06 0.5 1
392 40 44 TYR CB C 39.66 0.5 1
393 40 44 TYR CD1 C 132.70 0.5 3
394 40 44 TYR CD2 C 132.70 0.5 3
395 40 44 TYR CE1 C 117.76 0.5 3
396 40 44 TYR CE2 C 117.76 0.5 3
397 40 44 TYR N N 118.55 0.25 1
398 41 45 PHE H H 8.50 0.03 1
399 41 45 PHE HA H 4.54 0.03 1
400 41 45 PHE HB2 H 3.48 0.03 1
401 41 45 PHE HB3 H 2.92 0.03 1
402 41 45 PHE HD1 H 7.64 0.03 3
403 41 45 PHE HD2 H 7.64 0.03 3
404 41 45 PHE HE1 H 6.94 0.03 3
405 41 45 PHE HE2 H 6.94 0.03 3
406 41 45 PHE HZ H 6.72 0.03 1
407 41 45 PHE C C 177.80 0.1 1
408 41 45 PHE CA C 63.48 0.5 1
409 41 45 PHE CB C 38.80 0.5 1
410 41 45 PHE CD1 C 131.31 0.5 3
411 41 45 PHE CD2 C 131.31 0.5 3
412 41 45 PHE CZ C 129.12 0.5 1
413 41 45 PHE N N 113.54 0.25 1
414 42 46 SER H H 8.71 0.03 1
415 42 46 SER HA H 4.97 0.03 1
416 42 46 SER HB2 H 4.02 0.03 2
417 42 46 SER HB3 H 4.14 0.03 2
418 42 46 SER C C 175.78 0.1 1
419 42 46 SER CA C 61.32 0.5 1
420 42 46 SER CB C 62.92 0.5 1
421 42 46 SER N N 117.43 0.25 1
422 43 47 LYS H H 7.11 0.03 1
423 43 47 LYS HA H 4.01 0.03 1
424 43 47 LYS HB2 H 1.34 0.03 2
425 43 47 LYS HB3 H 1.30 0.03 2
426 43 47 LYS HG2 H 1.03 0.03 2
427 43 47 LYS HG3 H 0.79 0.03 2
428 43 47 LYS HD2 H 1.34 0.03 2
429 43 47 LYS HD3 H 1.34 0.03 2
430 43 47 LYS HE2 H 2.77 0.03 2
431 43 47 LYS HE3 H 2.77 0.03 2
432 43 47 LYS C C 177.32 0.1 1
433 43 47 LYS CA C 58.01 0.5 1
434 43 47 LYS CB C 31.25 0.5 1
435 43 47 LYS CG C 23.71 0.5 1
436 43 47 LYS CD C 28.78 0.5 1
437 43 47 LYS CE C 41.96 0.5 1
438 43 47 LYS N N 119.99 0.25 1
439 44 48 PHE H H 8.05 0.03 1
440 44 48 PHE HA H 4.45 0.03 1
441 44 48 PHE HB2 H 3.15 0.03 1
442 44 48 PHE HB3 H 2.98 0.03 1
443 44 48 PHE HD1 H 7.40 0.03 3
444 44 48 PHE HD2 H 7.40 0.03 3
445 44 48 PHE HE1 H 7.23 0.03 3
446 44 48 PHE HE2 H 7.23 0.03 3
447 44 48 PHE HZ H 6.95 0.03 1
448 44 48 PHE C C 174.83 0.1 1
449 44 48 PHE CA C 58.40 0.5 1
450 44 48 PHE CB C 39.73 0.5 1
451 44 48 PHE CD1 C 132.26 0.5 3
452 44 48 PHE CD2 C 132.26 0.5 3
453 44 48 PHE CE1 C 130.18 0.5 3
454 44 48 PHE CE2 C 130.18 0.5 3
455 44 48 PHE N N 116.36 0.25 1
456 45 49 GLY H H 7.45 0.03 1
457 45 49 GLY HA2 H 4.43 0.03 2
458 45 49 GLY HA3 H 3.95 0.03 2
459 45 49 GLY C C 170.51 0.1 1
460 45 49 GLY CA C 44.69 0.5 1
461 45 49 GLY N N 106.73 0.25 1
462 46 50 GLU H H 8.06 0.03 1
463 46 50 GLU HA H 4.36 0.03 1
464 46 50 GLU HB2 H 2.04 0.03 2
465 46 50 GLU HB3 H 1.96 0.03 2
466 46 50 GLU HG2 H 2.40 0.03 2
467 46 50 GLU HG3 H 2.10 0.03 2
468 46 50 GLU C C 177.67 0.1 1
469 46 50 GLU CA C 57.06 0.1 1
470 46 50 GLU CB C 30.31 0.1 1
471 46 50 GLU CG C 36.13 0.1 1
472 46 50 GLU N N 117.25 0.25 1
473 47 51 ILE H H 9.12 0.03 1
474 47 51 ILE HA H 4.15 0.03 1
475 47 51 ILE HB H 1.78 0.03 1
476 47 51 ILE HG12 H 0.82 0.03 2
477 47 51 ILE HG13 H 0.85 0.03 2
478 47 51 ILE HG2 H 0.63 0.03 1
479 47 51 ILE HD1 H 0.62 0.03 1
480 47 51 ILE C C 175.84 0.1 1
481 47 51 ILE CA C 60.60 0.5 1
482 47 51 ILE CB C 39.61 0.5 1
483 47 51 ILE CG1 C 27.76 0.5 1
484 47 51 ILE CG2 C 18.26 0.5 1
485 47 51 ILE CD1 C 14.18 0.5 1
486 47 51 ILE N N 128.72 0.25 1
487 48 52 ARG H H 9.02 0.03 1
488 48 52 ARG HA H 4.49 0.03 1
489 48 52 ARG HB2 H 1.46 0.03 2
490 48 52 ARG HB3 H 1.70 0.03 2
491 48 52 ARG HG2 H 1.47 0.03 2
492 48 52 ARG HG3 H 1.47 0.03 2
493 48 52 ARG HD2 H 3.05 0.03 2
494 48 52 ARG HD3 H 3.18 0.03 2
495 48 52 ARG HE H 7.36 0.03 1
496 48 52 ARG C C 175.74 0.1 1
497 48 52 ARG CA C 56.84 0.5 1
498 48 52 ARG CB C 31.62 0.5 1
499 48 52 ARG CG C 26.82 0.5 1
500 48 52 ARG CD C 43.13 0.5 1
501 48 52 ARG N N 126.51 0.25 1
502 48 52 ARG NE N 83.87 0.25 1
503 49 53 GLU H H 7.46 0.03 1
504 49 53 GLU HA H 4.58 0.03 1
505 49 53 GLU HB2 H 1.93 0.03 2
506 49 53 GLU HB3 H 2.04 0.03 2
507 49 53 GLU HG2 H 2.10 0.03 2
508 49 53 GLU HG3 H 2.10 0.03 2
509 49 53 GLU C C 174.06 0.1 1
510 49 53 GLU CA C 55.42 0.5 1
511 49 53 GLU CB C 33.47 0.5 1
512 49 53 GLU CG C 36.35 0.5 1
513 49 53 GLU N N 116.12 0.25 1
514 50 54 CYS H H 8.77 0.03 1
515 50 54 CYS HA H 5.02 0.03 1
516 50 54 CYS HB2 H 2.76 0.03 2
517 50 54 CYS HB3 H 2.76 0.03 2
518 50 54 CYS C C 172.00 0.1 1
519 50 54 CYS CA C 58.05 0.5 1
520 50 54 CYS CB C 28.72 0.5 1
521 50 54 CYS N N 122.09 0.25 1
522 51 55 MET H H 8.73 0.03 1
523 51 55 MET HA H 5.03 0.03 1
524 51 55 MET HB2 H 1.98 0.03 2
525 51 55 MET HB3 H 1.92 0.03 2
526 51 55 MET HG2 H 2.45 0.03 2
527 51 55 MET HG3 H 2.45 0.03 2
528 51 55 MET HE H 2.03 0.03 1
529 51 55 MET C C 173.45 0.1 1
530 51 55 MET CA C 54.66 0.5 1
531 51 55 MET CB C 35.94 0.5 1
532 51 55 MET CG C 31.44 0.5 1
533 51 55 MET CE C 17.17 0.5 1
534 51 55 MET N N 122.75 0.25 1
535 52 56 VAL H H 8.28 0.03 1
536 52 56 VAL HA H 4.00 0.03 1
537 52 56 VAL HB H 1.70 0.03 1
538 52 56 VAL HG1 H 0.57 0.03 1
539 52 56 VAL HG2 H 0.75 0.03 1
540 52 56 VAL C C 175.23 0.1 1
541 52 56 VAL CA C 62.35 0.5 1
542 52 56 VAL CB C 34.65 0.5 1
543 52 56 VAL CG1 C 21.47 0.5 1
544 52 56 VAL CG2 C 21.02 0.5 1
545 52 56 VAL N N 121.15 0.25 1
546 53 57 MET H H 8.28 0.03 1
547 53 57 MET HA H 4.50 0.03 1
548 53 57 MET HB2 H 1.09 0.03 2
549 53 57 MET HB3 H 1.52 0.03 2
550 53 57 MET HG2 H 2.25 0.03 2
551 53 57 MET HG3 H 2.49 0.03 2
552 53 57 MET HE H 2.15 0.03 1
553 53 57 MET C C 175.13 0.1 1
554 53 57 MET CA C 54.83 0.5 1
555 53 57 MET CB C 30.70 0.5 1
556 53 57 MET CG C 33.21 0.5 1
557 53 57 MET CE C 17.25 0.5 1
558 53 57 MET N N 125.88 0.25 1
559 54 58 ARG H H 8.53 0.03 1
560 54 58 ARG HA H 4.83 0.03 1
561 54 58 ARG HB2 H 1.51 0.03 2
562 54 58 ARG HB3 H 1.36 0.03 2
563 54 58 ARG HG2 H 1.49 0.03 2
564 54 58 ARG HG3 H 1.32 0.03 2
565 54 58 ARG HD2 H 3.10 0.03 2
566 54 58 ARG HD3 H 3.10 0.03 2
567 54 58 ARG C C 175.68 0.1 1
568 54 58 ARG CA C 54.33 0.5 1
569 54 58 ARG CB C 33.46 0.5 1
570 54 58 ARG CG C 27.27 0.5 1
571 54 58 ARG CD C 43.03 0.5 1
572 54 58 ARG N N 121.68 0.25 1
573 55 59 ASP H H 8.66 0.03 1
574 55 59 ASP HA H 4.75 0.03 1
575 55 59 ASP HB2 H 2.57 0.03 1
576 55 59 ASP HB3 H 3.01 0.03 1
577 55 59 ASP C C 175.95 0.1 1
578 55 59 ASP CA C 51.99 0.5 1
579 55 59 ASP CB C 42.77 0.5 1
580 55 59 ASP N N 125.06 0.25 1
581 56 60 PRO HA H 4.50 0.03 1
582 56 60 PRO HB2 H 2.18 0.03 2
583 56 60 PRO HB3 H 2.29 0.03 2
584 56 60 PRO HG2 H 1.88 0.03 2
585 56 60 PRO HG3 H 1.92 0.03 2
586 56 60 PRO HD2 H 3.93 0.03 2
587 56 60 PRO HD3 H 4.05 0.03 2
588 56 60 PRO C C 177.57 0.1 1
589 56 60 PRO CA C 64.66 0.5 1
590 56 60 PRO CB C 32.14 0.5 1
591 56 60 PRO CG C 27.35 0.5 1
592 56 60 PRO CD C 50.50 0.5 1
593 57 61 THR H H 8.42 0.03 1
594 57 61 THR HA H 4.25 0.03 1
595 57 61 THR HB H 4.30 0.03 1
596 57 61 THR HG2 H 1.24 0.03 1
597 57 61 THR C C 176.01 0.1 1
598 57 61 THR CA C 64.94 0.5 1
599 57 61 THR CB C 68.74 0.5 1
600 57 61 THR CG2 C 21.24 0.5 1
601 57 61 THR N N 113.64 0.25 1
602 58 62 THR H H 8.19 0.03 1
603 58 62 THR HA H 4.27 0.03 1
604 58 62 THR HB H 4.31 0.03 1
605 58 62 THR HG2 H 1.20 0.03 1
606 58 62 THR C C 176.20 0.1 1
607 58 62 THR CA C 62.07 0.5 1
608 58 62 THR CB C 70.57 0.5 1
609 58 62 THR CG2 C 21.22 0.5 1
610 58 62 THR N N 111.37 0.25 1
611 59 63 LYS H H 8.15 0.03 1
612 59 63 LYS HA H 3.96 0.03 1
613 59 63 LYS HB2 H 2.19 0.03 2
614 59 63 LYS HB3 H 2.01 0.03 2
615 59 63 LYS HG2 H 1.28 0.03 2
616 59 63 LYS HG3 H 1.28 0.03 2
617 59 63 LYS HD2 H 1.58 0.03 2
618 59 63 LYS HD3 H 1.63 0.03 2
619 59 63 LYS HE2 H 3.00 0.03 2
620 59 63 LYS HE3 H 3.00 0.03 2
621 59 63 LYS C C 175.39 0.1 1
622 59 63 LYS CA C 57.81 0.5 1
623 59 63 LYS CB C 29.38 0.5 1
624 59 63 LYS CG C 25.21 0.5 1
625 59 63 LYS CD C 28.89 0.5 1
626 59 63 LYS CE C 42.51 0.5 1
627 59 63 LYS N N 115.43 0.25 1
628 60 64 ARG H H 7.90 0.03 1
629 60 64 ARG HA H 4.31 0.03 1
630 60 64 ARG HB2 H 1.83 0.03 2
631 60 64 ARG HB3 H 1.83 0.03 2
632 60 64 ARG HG2 H 1.66 0.03 2
633 60 64 ARG HG3 H 1.66 0.03 2
634 60 64 ARG HD2 H 3.02 0.03 2
635 60 64 ARG HD3 H 3.02 0.03 2
636 60 64 ARG C C 175.56 0.1 1
637 60 64 ARG CA C 55.99 0.5 1
638 60 64 ARG CB C 31.17 0.5 1
639 60 64 ARG CG C 27.10 0.5 1
640 60 64 ARG CD C 43.38 0.5 1
641 60 64 ARG N N 119.77 0.25 1
642 61 65 SER H H 8.92 0.03 1
643 61 65 SER HA H 4.50 0.03 1
644 61 65 SER HB2 H 3.92 0.03 2
645 61 65 SER HB3 H 3.92 0.03 2
646 61 65 SER C C 176.28 0.1 1
647 61 65 SER CA C 58.64 0.5 1
648 61 65 SER CB C 64.11 0.5 1
649 61 65 SER N N 116.93 0.25 1
650 62 66 ARG H H 9.04 0.03 1
651 62 66 ARG HA H 4.40 0.03 1
652 62 66 ARG HB2 H 1.74 0.03 2
653 62 66 ARG HB3 H 1.68 0.03 2
654 62 66 ARG HG2 H 1.63 0.03 2
655 62 66 ARG HG3 H 1.58 0.03 2
656 62 66 ARG HD2 H 3.16 0.03 2
657 62 66 ARG HD3 H 3.16 0.03 2
658 62 66 ARG C C 177.24 0.1 1
659 62 66 ARG CA C 56.11 0.5 1
660 62 66 ARG CB C 31.03 0.5 1
661 62 66 ARG CG C 27.30 0.5 1
662 62 66 ARG CD C 43.43 0.5 1
663 62 66 ARG N N 124.31 0.25 1
664 63 67 GLY H H 9.21 0.03 1
665 63 67 GLY HA2 H 4.16 0.03 2
666 63 67 GLY HA3 H 4.16 0.03 2
667 63 67 GLY C C 172.09 0.1 1
668 63 67 GLY CA C 45.61 0.5 1
669 63 67 GLY N N 107.25 0.25 1
670 64 68 PHE H H 7.09 0.03 1
671 64 68 PHE HA H 5.26 0.03 1
672 64 68 PHE HB2 H 3.15 0.03 2
673 64 68 PHE HB3 H 2.64 0.03 2
674 64 68 PHE HD1 H 6.85 0.03 3
675 64 68 PHE HD2 H 6.85 0.03 3
676 64 68 PHE HE1 H 7.32 0.03 3
677 64 68 PHE HE2 H 7.32 0.03 3
678 64 68 PHE HZ H 7.32 0.03 1
679 64 68 PHE C C 172.81 0.1 1
680 64 68 PHE CA C 54.96 0.5 1
681 64 68 PHE CB C 41.78 0.5 1
682 64 68 PHE CD1 C 133.43 0.5 3
683 64 68 PHE CD2 C 133.43 0.5 3
684 64 68 PHE CE1 C 132.85 0.5 3
685 64 68 PHE CE2 C 132.85 0.5 3
686 64 68 PHE N N 112.46 0.25 1
687 65 69 GLY H H 8.28 0.03 1
688 65 69 GLY HA2 H 4.18 0.03 1
689 65 69 GLY HA3 H 3.90 0.03 1
690 65 69 GLY C C 169.99 0.1 1
691 65 69 GLY CA C 45.00 0.5 1
692 65 69 GLY N N 106.56 0.25 1
693 66 70 PHE H H 8.66 0.03 1
694 66 70 PHE HA H 5.59 0.03 1
695 66 70 PHE HB2 H 2.93 0.03 1
696 66 70 PHE HB3 H 2.62 0.03 1
697 66 70 PHE HD1 H 7.07 0.03 3
698 66 70 PHE HD2 H 7.07 0.03 3
699 66 70 PHE HE1 H 7.34 0.03 3
700 66 70 PHE HE2 H 7.34 0.03 3
701 66 70 PHE C C 174.37 0.1 1
702 66 70 PHE CA C 56.67 0.5 1
703 66 70 PHE CB C 44.09 0.5 1
704 66 70 PHE CD1 C 131.50 0.5 3
705 66 70 PHE CD2 C 131.50 0.5 3
706 66 70 PHE N N 115.05 0.25 1
707 67 71 VAL H H 8.39 0.03 1
708 67 71 VAL HA H 4.39 0.03 1
709 67 71 VAL HB H 1.19 0.03 1
710 67 71 VAL HG1 H 0.08 0.03 1
711 67 71 VAL HG2 H 0.33 0.03 1
712 67 71 VAL C C 173.58 0.1 1
713 67 71 VAL CA C 60.37 0.5 1
714 67 71 VAL CB C 35.91 0.5 1
715 67 71 VAL CG1 C 21.11 0.5 1
716 67 71 VAL CG2 C 21.09 0.5 1
717 67 71 VAL N N 118.88 0.25 1
718 68 72 THR H H 8.70 0.03 1
719 68 72 THR HA H 4.80 0.03 1
720 68 72 THR HB H 3.82 0.03 1
721 68 72 THR HG2 H 1.07 0.03 1
722 68 72 THR C C 174.43 0.1 1
723 68 72 THR CA C 60.96 0.5 1
724 68 72 THR CB C 69.43 0.5 1
725 68 72 THR CG2 C 22.24 0.5 1
726 68 72 THR N N 121.16 0.25 1
727 69 73 PHE H H 8.98 0.03 1
728 69 73 PHE HA H 4.82 0.03 1
729 69 73 PHE HB2 H 3.48 0.03 1
730 69 73 PHE HB3 H 2.64 0.03 1
731 69 73 PHE HD1 H 7.14 0.03 3
732 69 73 PHE HD2 H 7.14 0.03 3
733 69 73 PHE HE1 H 7.27 0.03 3
734 69 73 PHE HE2 H 7.27 0.03 3
735 69 73 PHE C C 175.20 0.1 1
736 69 73 PHE CA C 58.76 0.1 1
737 69 73 PHE CB C 40.78 0.1 1
738 69 73 PHE CD1 C 130.96 0.5 3
739 69 73 PHE CD2 C 130.96 0.5 3
740 69 73 PHE CE1 C 131.97 0.5 3
741 69 73 PHE CE2 C 131.97 0.5 3
742 69 73 PHE N N 127.95 0.25 1
743 70 74 ALA H H 8.36 0.03 1
744 70 74 ALA HA H 3.99 0.03 1
745 70 74 ALA HB H 1.36 0.03 1
746 70 74 ALA C C 176.36 0.1 1
747 70 74 ALA CA C 54.38 0.5 1
748 70 74 ALA CB C 19.02 0.5 1
749 70 74 ALA N N 122.28 0.25 1
750 71 75 ASP H H 8.90 0.03 1
751 71 75 ASP HA H 5.21 0.03 1
752 71 75 ASP HB2 H 3.05 0.03 2
753 71 75 ASP HB3 H 2.56 0.03 2
754 71 75 ASP C C 175.54 0.1 1
755 71 75 ASP CA C 49.67 0.5 1
756 71 75 ASP CB C 43.25 0.5 1
757 71 75 ASP N N 117.23 0.25 1
758 72 76 PRO HA H 4.40 0.03 1
759 72 76 PRO HB2 H 2.05 0.03 1
760 72 76 PRO HB3 H 2.36 0.03 1
761 72 76 PRO HG2 H 1.82 0.03 2
762 72 76 PRO HG3 H 1.82 0.03 2
763 72 76 PRO HD2 H 3.99 0.03 2
764 72 76 PRO HD3 H 3.93 0.03 2
765 72 76 PRO C C 178.02 0.1 1
766 72 76 PRO CA C 64.91 0.5 1
767 72 76 PRO CB C 32.08 0.5 1
768 72 76 PRO CG C 27.67 0.5 1
769 72 76 PRO CD C 51.57 0.5 1
770 73 77 ALA H H 8.66 0.03 1
771 73 77 ALA HA H 4.26 0.03 1
772 73 77 ALA HB H 1.43 0.03 1
773 73 77 ALA C C 180.73 0.1 1
774 73 77 ALA CA C 54.60 0.5 1
775 73 77 ALA CB C 18.06 0.5 1
776 73 77 ALA N N 121.49 0.25 1
777 74 78 SER H H 8.43 0.03 1
778 74 78 SER HA H 3.87 0.03 1
779 74 78 SER HB2 H 3.05 0.03 1
780 74 78 SER HB3 H 2.39 0.03 1
781 74 78 SER C C 175.14 0.1 1
782 74 78 SER CA C 62.50 0.5 1
783 74 78 SER CB C 62.53 0.5 1
784 74 78 SER N N 115.32 0.25 1
785 75 79 VAL H H 7.31 0.03 1
786 75 79 VAL HA H 3.56 0.03 1
787 75 79 VAL HB H 2.28 0.03 1
788 75 79 VAL HG1 H 1.15 0.03 1
789 75 79 VAL HG2 H 0.95 0.03 1
790 75 79 VAL C C 177.52 0.1 1
791 75 79 VAL CA C 65.53 0.5 1
792 75 79 VAL CB C 31.58 0.5 1
793 75 79 VAL CG1 C 22.56 0.5 1
794 75 79 VAL CG2 C 20.95 0.5 1
795 75 79 VAL N N 119.60 0.25 1
796 76 80 ASP H H 6.97 0.03 1
797 76 80 ASP HA H 4.30 0.03 1
798 76 80 ASP HB2 H 2.71 0.03 2
799 76 80 ASP HB3 H 2.63 0.03 2
800 76 80 ASP C C 179.41 0.1 1
801 76 80 ASP CA C 57.32 0.5 1
802 76 80 ASP CB C 40.23 0.5 1
803 76 80 ASP N N 116.89 0.25 1
804 77 81 LYS H H 7.23 0.03 1
805 77 81 LYS HA H 4.14 0.03 1
806 77 81 LYS HB2 H 2.20 0.03 2
807 77 81 LYS HB3 H 2.20 0.03 2
808 77 81 LYS HG2 H 1.72 0.03 2
809 77 81 LYS HG3 H 1.57 0.03 2
810 77 81 LYS HD2 H 1.83 0.03 2
811 77 81 LYS HD3 H 1.83 0.03 2
812 77 81 LYS HE2 H 3.03 0.03 2
813 77 81 LYS HE3 H 3.03 0.03 2
814 77 81 LYS C C 179.09 0.1 1
815 77 81 LYS CA C 59.33 0.5 1
816 77 81 LYS CB C 32.58 0.5 1
817 77 81 LYS CG C 25.56 0.5 1
818 77 81 LYS CD C 29.43 0.5 1
819 77 81 LYS CE C 42.36 0.5 1
820 77 81 LYS N N 119.05 0.25 1
821 78 82 VAL H H 7.49 0.03 1
822 78 82 VAL HA H 2.79 0.03 1
823 78 82 VAL HB H 2.09 0.03 1
824 78 82 VAL HG1 H 0.57 0.03 1
825 78 82 VAL HG2 H 0. 0.03 1
826 78 82 VAL C C 179.00 0.1 1
827 78 82 VAL CA C 66.87 0.5 1
828 78 82 VAL CB C 31.24 0.5 1
829 78 82 VAL CG1 C 22.92 0.5 1
830 78 82 VAL CG2 C 23.03 0.5 1
831 78 82 VAL N N 120.02 0.25 1
832 79 83 LEU H H 8.05 0.03 1
833 79 83 LEU HA H 4.31 0.03 1
834 79 83 LEU HB2 H 1.78 0.03 2
835 79 83 LEU HB3 H 1.56 0.03 2
836 79 83 LEU HG H 1.78 0.03 1
837 79 83 LEU HD1 H 0.84 0.03 1
838 79 83 LEU HD2 H 0.84 0.03 1
839 79 83 LEU C C 178.42 0.1 1
840 79 83 LEU CA C 56.40 0.5 1
841 79 83 LEU CB C 41.15 0.5 1
842 79 83 LEU CG C 26.77 0.5 1
843 79 83 LEU CD1 C 22.31 0.5 1
844 79 83 LEU CD2 C 26.21 0.5 1
845 79 83 LEU N N 116.41 0.25 1
846 80 84 GLY H H 7.64 0.03 1
847 80 84 GLY HA2 H 4.06 0.03 1
848 80 84 GLY HA3 H 3.78 0.03 1
849 80 84 GLY C C 173.15 0.1 1
850 80 84 GLY CA C 45.26 0.5 1
851 80 84 GLY N N 105.34 0.25 1
852 81 85 GLN H H 7.41 0.03 1
853 81 85 GLN HA H 4.93 0.03 1
854 81 85 GLN HB2 H 2.08 0.03 1
855 81 85 GLN HB3 H 1.93 0.03 1
856 81 85 GLN HG2 H 2.25 0.03 2
857 81 85 GLN HG3 H 2.25 0.03 2
858 81 85 GLN HE21 H 6.87 0.03 1
859 81 85 GLN HE22 H 7.49 0.03 1
860 81 85 GLN C C 174.25 0.1 1
861 81 85 GLN CA C 52.19 0.5 1
862 81 85 GLN CB C 29.40 0.5 1
863 81 85 GLN CG C 33.17 0.5 1
864 81 85 GLN CD C 180.44 0.1 1
865 81 85 GLN N N 123.05 0.25 1
866 81 85 GLN NE2 N 112.33 0.25 1
867 82 86 PRO HA H 4.40 0.03 1
868 82 86 PRO HB2 H 2.05 0.03 2
869 82 86 PRO HB3 H 1.88 0.03 2
870 82 86 PRO HG2 H 2.32 0.03 2
871 82 86 PRO HG3 H 2.32 0.03 2
872 82 86 PRO HD2 H 3.64 0.03 2
873 82 86 PRO HD3 H 3.76 0.03 2
874 82 86 PRO C C 176.37 0.1 1
875 82 86 PRO CA C 64.88 0.5 1
876 82 86 PRO CB C 32.40 0.5 1
877 82 86 PRO CG C 27.15 0.5 1
878 82 86 PRO CD C 50.56 0.5 1
879 83 87 HIS H H 7.52 0.03 1
880 83 87 HIS HA H 4.97 0.03 1
881 83 87 HIS HB2 H 3.10 0.03 2
882 83 87 HIS HB3 H 3.10 0.03 2
883 83 87 HIS C C 172.43 0.1 1
884 83 87 HIS CA C 55.59 0.5 1
885 83 87 HIS CB C 31.62 0.5 1
886 83 87 HIS N N 114.95 0.25 1
887 84 88 HIS H H 9.03 0.03 1
888 84 88 HIS HA H 4.60 0.03 1
889 84 88 HIS HB2 H 2.82 0.03 1
890 84 88 HIS HB3 H 2.57 0.03 1
891 84 88 HIS C C 173.26 0.1 1
892 84 88 HIS CA C 55.90 0.5 1
893 84 88 HIS CB C 34.44 0.5 1
894 85 89 GLU H H 7.99 0.03 1
895 85 89 GLU HA H 5.02 0.03 1
896 85 89 GLU HB2 H 1.76 0.03 2
897 85 89 GLU HB3 H 1.65 0.03 2
898 85 89 GLU HG2 H 1.99 0.03 2
899 85 89 GLU HG3 H 1.99 0.03 2
900 85 89 GLU C C 173.04 0.1 1
901 85 89 GLU CA C 54.28 0.5 1
902 85 89 GLU CB C 33.03 0.5 1
903 85 89 GLU CG C 35.83 0.5 1
904 85 89 GLU N N 122.01 0.25 1
905 86 90 LEU H H 8.57 0.03 1
906 86 90 LEU HA H 4.26 0.03 1
907 86 90 LEU HB2 H 1.35 0.03 1
908 86 90 LEU HB3 H 0.62 0.03 1
909 86 90 LEU HG H 1.25 0.03 1
910 86 90 LEU HD1 H 0.77 0.03 1
911 86 90 LEU HD2 H 0.60 0.03 1
912 86 90 LEU C C 176.23 0.1 1
913 86 90 LEU CA C 54.26 0.5 1
914 86 90 LEU CB C 45.35 0.5 1
915 86 90 LEU CG C 27.02 0.5 1
916 86 90 LEU CD1 C 23.28 0.5 1
917 86 90 LEU CD2 C 27.10 0.5 1
918 86 90 LEU N N 123.49 0.25 1
919 87 91 ASP H H 9.56 0.03 1
920 87 91 ASP HA H 4.25 0.03 1
921 87 91 ASP HB2 H 2.37 0.03 1
922 87 91 ASP HB3 H 2.66 0.03 1
923 87 91 ASP C C 175.00 0.1 1
924 87 91 ASP CA C 56.71 0.5 1
925 87 91 ASP CB C 38.92 0.5 1
926 87 91 ASP N N 128.21 0.25 1
927 88 92 SER H H 8.69 0.03 1
928 88 92 SER HA H 3.92 0.03 1
929 88 92 SER HB2 H 4.10 0.03 2
930 88 92 SER HB3 H 4.05 0.03 2
931 88 92 SER C C 172.95 0.1 1
932 88 92 SER CA C 59.92 0.5 1
933 88 92 SER CB C 62.05 0.5 1
934 88 92 SER N N 105.50 0.25 1
935 89 93 LYS H H 7.49 0.03 1
936 89 93 LYS HA H 4.68 0.03 1
937 89 93 LYS HB2 H 1.63 0.03 2
938 89 93 LYS HB3 H 1.84 0.03 2
939 89 93 LYS HG2 H 1.49 0.03 2
940 89 93 LYS HG3 H 1.38 0.03 2
941 89 93 LYS HD2 H 1.73 0.03 2
942 89 93 LYS HD3 H 1.73 0.03 2
943 89 93 LYS HE2 H 2.70 0.03 2
944 89 93 LYS HE3 H 2.70 0.03 2
945 89 93 LYS C C 175.14 0.1 1
946 89 93 LYS CA C 53.55 0.5 1
947 89 93 LYS CB C 35.22 0.5 1
948 89 93 LYS CG C 24.20 0.5 1
949 89 93 LYS CD C 27.94 0.5 1
950 89 93 LYS CE C 42.22 0.5 1
951 89 93 LYS N N 120.86 0.25 1
952 90 94 THR H H 8.57 0.03 1
953 90 94 THR HA H 4.58 0.03 1
954 90 94 THR HB H 4.12 0.03 1
955 90 94 THR HG2 H 1.34 0.03 1
956 90 94 THR C C 174.66 0.1 1
957 90 94 THR CA C 63.73 0.5 1
958 90 94 THR CB C 69.00 0.5 1
959 90 94 THR CG2 C 22.41 0.5 1
960 90 94 THR N N 121.17 0.25 1
961 91 95 ILE H H 8.01 0.03 1
962 91 95 ILE HA H 4.15 0.03 1
963 91 95 ILE HB H 1.71 0.03 1
964 91 95 ILE HG12 H 0.57 0.03 1
965 91 95 ILE HG13 H 1.08 0.03 1
966 91 95 ILE HG2 H 0.79 0.03 1
967 91 95 ILE HD1 H 0.52 0.03 1
968 91 95 ILE C C 174.66 0.1 1
969 91 95 ILE CA C 60.45 0.5 1
970 91 95 ILE CB C 40.39 0.5 1
971 91 95 ILE CG1 C 26.32 0.5 1
972 91 95 ILE CG2 C 18.81 0.5 1
973 91 95 ILE CD1 C 14.49 0.5 1
974 91 95 ILE N N 121.81 0.25 1
975 92 96 ASP H H 8.37 0.03 1
976 92 96 ASP HA H 5.30 0.03 1
977 92 96 ASP HB2 H 2.38 0.03 1
978 92 96 ASP HB3 H 2.66 0.03 1
979 92 96 ASP C C 173.14 0.1 1
980 92 96 ASP CA C 51.35 0.5 1
981 92 96 ASP CB C 42.38 0.5 1
982 92 96 ASP N N 117.83 0.25 1
983 93 97 PRO HA H 5.13 0.03 1
984 93 97 PRO HB2 H 1.66 0.03 2
985 93 97 PRO HB3 H 1.84 0.03 2
986 93 97 PRO HG2 H 1.70 0.03 2
987 93 97 PRO HG3 H 1.26 0.03 2
988 93 97 PRO HD2 H 3.93 0.03 2
989 93 97 PRO HD3 H 3.55 0.03 2
990 93 97 PRO C C 175.87 0.1 1
991 93 97 PRO CA C 61.65 0.5 1
992 93 97 PRO CB C 32.36 0.5 1
993 93 97 PRO CG C 27.55 0.5 1
994 93 97 PRO CD C 50.19 0.5 1
995 94 98 LYS H H 9.50 0.03 1
996 94 98 LYS HA H 4.71 0.03 1
997 94 98 LYS HB2 H 1.77 0.03 2
998 94 98 LYS HB3 H 1.95 0.03 2
999 94 98 LYS HG2 H 1.45 0.03 2
1000 94 98 LYS HG3 H 1.45 0.03 2
1001 94 98 LYS HD2 H 1.63 0.03 2
1002 94 98 LYS HD3 H 1.63 0.03 2
1003 94 98 LYS HE2 H 2.91 0.03 2
1004 94 98 LYS HE3 H 2.91 0.03 2
1005 94 98 LYS C C 175.90 0.1 1
1006 94 98 LYS CA C 54.64 0.5 1
1007 94 98 LYS CB C 36.63 0.5 1
1008 94 98 LYS CG C 23.95 0.5 1
1009 94 98 LYS CD C 29.09 0.5 1
1010 94 98 LYS CE C 42.08 0.5 1
1011 94 98 LYS N N 121.79 0.25 1
1012 95 99 VAL H H 8.65 0.03 1
1013 95 99 VAL HA H 4.04 0.03 1
1014 95 99 VAL HB H 2.10 0.03 1
1015 95 99 VAL HG1 H 1.01 0.03 2
1016 95 99 VAL HG2 H 1.00 0.03 2
1017 95 99 VAL C C 175.66 0.1 1
1018 95 99 VAL CA C 63.98 0.5 1
1019 95 99 VAL CB C 32.04 0.5 1
1020 95 99 VAL CG1 C 21.98 0.5 2
1021 95 99 VAL CG2 C 22.11 0.5 2
1022 95 99 VAL N N 119.40 0.25 1
1023 96 100 ALA H H 8.01 0.03 1
1024 96 100 ALA HA H 4.31 0.03 1
1025 96 100 ALA HB H 1.18 0.03 1
1026 96 100 ALA C C 176.13 0.1 1
1027 96 100 ALA CA C 52.86 0.5 1
1028 96 100 ALA CB C 19.07 0.5 1
1029 96 100 ALA N N 126.34 0.25 1
1030 97 101 PHE H H 8.12 0.03 1
1031 97 101 PHE HA H 4.77 0.03 1
1032 97 101 PHE HB2 H 2.88 0.03 2
1033 97 101 PHE HB3 H 3.08 0.03 2
1034 97 101 PHE HD1 H 7.25 0.03 3
1035 97 101 PHE HD2 H 7.25 0.03 3
1036 97 101 PHE HE1 H 6.95 0.03 3
1037 97 101 PHE HE2 H 6.95 0.03 3
1038 97 101 PHE C C 173.15 0.1 1
1039 97 101 PHE CA C 55.08 0.5 1
1040 97 101 PHE CB C 39.18 0.5 1
1041 97 101 PHE CD1 C 131.90 0.5 3
1042 97 101 PHE CD2 C 131.90 0.5 3
1043 97 101 PHE CE1 C 131.02 0.5 3
1044 97 101 PHE CE2 C 131.02 0.5 3
1045 97 101 PHE N N 118.54 0.25 1
1046 98 102 PRO HA H 4.51 0.03 1
1047 98 102 PRO HB2 H 2.34 0.03 2
1048 98 102 PRO HB3 H 1.88 0.03 2
1049 98 102 PRO HG2 H 2.01 0.03 2
1050 98 102 PRO HG3 H 1.99 0.03 2
1051 98 102 PRO HD2 H 3.92 0.03 2
1052 98 102 PRO HD3 H 3.86 0.03 2
1053 98 102 PRO C C 175.93 0.1 1
1054 98 102 PRO CA C 63.13 0.5 1
1055 98 102 PRO CB C 32.08 0.5 1
1056 98 102 PRO CG C 27.31 0.5 1
1057 98 102 PRO CD C 50.35 0.5 1
1058 99 103 ARG H H 8.39 0.03 1
1059 99 103 ARG HA H 4.31 0.03 1
1060 99 103 ARG HB2 H 1.83 0.03 2
1061 99 103 ARG HB3 H 1.83 0.03 2
1062 99 103 ARG HG2 H 1.62 0.03 2
1063 99 103 ARG HG3 H 1.62 0.03 2
1064 99 103 ARG HD2 H 3.05 0.03 2
1065 99 103 ARG HD3 H 3.05 0.03 2
1066 99 103 ARG C C 176.52 0.25 1
1067 99 103 ARG CA C 56.43 0.5 1
1068 99 103 ARG CB C 31.72 0.5 1
1069 99 103 ARG CG C 27.60 0.5 1
1070 99 103 ARG CD C 43.40 0.5 1
1071 99 103 ARG N N 121.61 0.25 1
1072 100 104 ARG H H 8.34 0.03 1
1073 100 104 ARG HA H 4.40 0.03 1
1074 100 104 ARG HB2 H 1.80 0.03 2
1075 100 104 ARG HB3 H 1.78 0.03 2
1076 100 104 ARG HG2 H 1.60 0.03 2
1077 100 104 ARG HG3 H 1.60 0.03 2
1078 100 104 ARG HD2 H 3.16 0.03 2
1079 100 104 ARG HD3 H 3.16 0.03 2
1080 100 104 ARG C C 175.71 0.1 1
1081 100 104 ARG CA C 55.91 0.5 1
1082 100 104 ARG CB C 31.89 0.5 1
1083 100 104 ARG CG C 27.12 0.5 1
1084 100 104 ARG CD C 43.44 0.5 1
1085 100 104 ARG N N 122.30 0.25 1
1086 101 105 ALA H H 8.35 0.03 1
1087 101 105 ALA HA H 4.30 0.03 1
1088 101 105 ALA HB H 1.36 0.03 1
1089 101 105 ALA C C 177.19 0.1 1
1090 101 105 ALA CA C 52.24 0.5 1
1091 101 105 ALA CB C 19.26 0.5 1
1092 101 105 ALA N N 125.64 0.25 1
1093 102 106 GLN H H 8.35 0.03 1
1094 102 106 GLN HA H 4.60 0.03 1
1095 102 106 GLN HB2 H 2.08 0.03 2
1096 102 106 GLN HB3 H 1.92 0.03 2
1097 102 106 GLN HG2 H 2.39 0.03 2
1098 102 106 GLN HG3 H 2.39 0.03 2
1099 102 106 GLN HE21 H 6.88 0.03 1
1100 102 106 GLN HE22 H 7.54 0.03 1
1101 102 106 GLN C C 173.96 0.1 1
1102 102 106 GLN CA C 53.71 0.5 1
1103 102 106 GLN CB C 28.95 0.5 1
1104 102 106 GLN CG C 33.57 0.5 1
1105 102 106 GLN CD C 180.46 0.1 1
1106 102 106 GLN N N 121.08 0.25 1
1107 102 106 GLN NE2 N 112.64 0.25 1
1108 103 107 PRO HA H 4.44 0.03 1
1109 103 107 PRO HB2 H 2.33 0.03 2
1110 103 107 PRO HB3 H 2.33 0.03 2
1111 103 107 PRO HG2 H 2.05 0.03 2
1112 103 107 PRO HG3 H 2.05 0.03 2
1113 103 107 PRO HD2 H 3.76 0.03 2
1114 103 107 PRO HD3 H 3.63 0.03 2
1115 103 107 PRO C C 175.37 0.1 1
1116 103 107 PRO CA C 63.23 0.5 1
1117 103 107 PRO CB C 32.74 0.5 1
1118 103 107 PRO CG C 27.44 0.5 1
1119 103 107 PRO CD C 50.51 0.5 1
1120 104 108 LYS H H 8.31 0.03 1
1121 104 108 LYS HA H 4.27 0.03 1
1122 104 108 LYS HB2 H 1.76 0.03 2
1123 104 108 LYS HB3 H 1.76 0.03 2
1124 104 108 LYS HG2 H 1.40 0.03 2
1125 104 108 LYS HG3 H 1.72 0.03 2
1126 104 108 LYS HD2 H 1.69 0.03 2
1127 104 108 LYS HD3 H 1.69 0.03 2
1128 104 108 LYS HE2 H 3.00 0.03 2
1129 104 108 LYS HE3 H 3.00 0.03 2
1130 104 108 LYS C C 176.44 0.1 1
1131 104 108 LYS CA C 56.39 0.5 1
1132 104 108 LYS CB C 32.95 0.5 1
1133 104 108 LYS CG C 24.73 0.5 1
1134 104 108 LYS CD C 29.16 0.5 1
1135 104 108 LYS CE C 42.28 0.5 1
1136 104 108 LYS N N 123.55 0.25 1
1137 105 109 MET H H 8.39 0.03 1
1138 105 109 MET HA H 4.51 0.03 1
1139 105 109 MET HB2 H 2.05 0.03 2
1140 105 109 MET HB3 H 2.05 0.03 2
1141 105 109 MET HG2 H 2.57 0.03 2
1142 105 109 MET HG3 H 2.57 0.03 2
1143 105 109 MET HE H 2.05 0.03 1
1144 105 109 MET C C 175.94 0.1 1
1145 105 109 MET CA C 55.36 0.5 1
1146 105 109 MET CB C 32.96 0.5 1
1147 105 109 MET CG C 31.89 0.5 1
1148 105 109 MET CE C 17.08 0.5 1
1149 105 109 MET N N 122.23 0.25 1
1150 106 110 VAL H H 8.25 0.03 1
1151 106 110 VAL HA H 4.82 0.03 1
1152 106 110 VAL HB H 2.05 0.03 1
1153 106 110 VAL HG1 H 0.90 0.03 2
1154 106 110 VAL HG2 H 0.88 0.03 2
1155 106 110 VAL C C 176.12 0.1 1
1156 106 110 VAL CA C 62.30 0.5 1
1157 106 110 VAL CB C 32.84 0.5 1
1158 106 110 VAL CG1 C 20.95 0.5 2
1159 106 110 VAL CG2 C 21.18 0.5 2
1160 106 110 VAL N N 122.53 0.25 1
1161 107 111 THR H H 8.28 0.03 1
1162 107 111 THR HA H 4.70 0.03 1
1163 107 111 THR HB H 4.40 0.03 1
1164 107 111 THR HG2 H 1.19 0.03 1
1165 107 111 THR C C 174.24 0.1 1
1166 107 111 THR CA C 62.00 0.5 1
1167 107 111 THR CB C 69.96 0.5 1
1168 107 111 THR CG2 C 21.81 0.5 1
1169 107 111 THR N N 119.12 0.25 1
1170 108 112 ARG H H 8.45 0.03 1
1171 108 112 ARG HA H 4.46 0.03 1
1172 108 112 ARG HB2 H 1.88 0.03 2
1173 108 112 ARG HB3 H 1.63 0.03 2
1174 108 112 ARG HG2 H 1.62 0.03 2
1175 108 112 ARG HG3 H 1.62 0.03 2
1176 108 112 ARG HD2 H 3.21 0.03 2
1177 108 112 ARG HD3 H 3.21 0.03 2
1178 108 112 ARG C C 176.21 0.1 1
1179 108 112 ARG CA C 55.97 0.5 1
1180 108 112 ARG CB C 30.90 0.5 1
1181 108 112 ARG CG C 27.20 0.5 1
1182 108 112 ARG CD C 43.43 0.5 1
1183 108 112 ARG N N 124.26 0.25 1
1184 109 113 THR H H 8.22 0.03 1
1185 109 113 THR HA H 4.39 0.03 1
1186 109 113 THR HB H 3.87 0.03 1
1187 109 113 THR HG2 H 1.20 0.03 1
1188 109 113 THR C C 174.17 0.1 1
1189 109 113 THR CA C 62.00 0.5 1
1190 109 113 THR CB C 69.93 0.5 1
1191 109 113 THR CG2 C 21.13 0.5 1
1192 109 113 THR N N 116.33 0.25 1
1193 110 114 LYS H H 8.33 0.03 1
1194 110 114 LYS HA H 4.35 0.03 1
1195 110 114 LYS HB2 H 1.66 0.03 2
1196 110 114 LYS HB3 H 1.66 0.03 2
1197 110 114 LYS HG2 H 1.69 0.03 2
1198 110 114 LYS HG3 H 1.40 0.03 2
1199 110 114 LYS HD2 H 1.69 0.03 2
1200 110 114 LYS HD3 H 1.69 0.03 2
1201 110 114 LYS HE2 H 3.00 0.03 2
1202 110 114 LYS HE3 H 3.00 0.03 2
1203 110 114 LYS C C 175.37 0.1 1
1204 110 114 LYS CA C 56.41 0.5 1
1205 110 114 LYS CB C 33.08 0.5 1
1206 110 114 LYS CG C 24.75 0.5 1
1207 110 114 LYS CD C 29.15 0.5 1
1208 110 114 LYS CE C 42.22 0.5 1
1209 110 114 LYS N N 124.73 0.25 1
1210 111 115 LYS H H 8.03 0.03 1
1211 111 115 LYS HA H 4.14 0.03 1
1212 111 115 LYS HB2 H 1.71 0.03 2
1213 111 115 LYS HB3 H 1.80 0.03 2
1214 111 115 LYS HG2 H 1.40 0.03 2
1215 111 115 LYS HG3 H 1.40 0.03 2
1216 111 115 LYS HD2 H 1.67 0.03 2
1217 111 115 LYS HD3 H 1.67 0.03 2
1218 111 115 LYS HE2 H 3.00 0.03 2
1219 111 115 LYS HE3 H 3.00 0.03 2
1220 111 115 LYS C C 181.28 0.1 1
1221 111 115 LYS CA C 57.93 0.5 1
1222 111 115 LYS CB C 33.47 0.5 1
1223 111 115 LYS CG C 24.81 0.5 1
1224 111 115 LYS CD C 29.19 0.5 1
1225 111 115 LYS CE C 42.33 0.5 1
1226 111 115 LYS N N 128.78 0.25 1
stop_
save_