data_27111
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone 1H, 13C, and 15N Chemical Shift Assignments for Musashi2 RRM1
;
_BMRB_accession_number 27111
_BMRB_flat_file_name bmr27111.str
_Entry_type original
_Submission_date 2017-05-23
_Accession_date 2017-05-23
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Lan Lan . .
2 Xing Minli . .
3 Douglas Justin T. .
4 Gao Philip . .
5 Hanzlik Robert P. .
6 Xu Liang . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 99
"13C chemical shifts" 216
"15N chemical shifts" 99
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2017-12-12 original BMRB .
stop_
_Original_release_date 2017-05-24
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Human oncoprotein Musashi-2 N-terminal RNA recognition motif backbone assignment and identification of RNA-binding pocket
;
_Citation_status published
_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 Lan Lan . .
2 Xing Minli . .
3 Douglas Justin T. .
4 Gao Philip . .
5 Hanzlik Robert P. .
6 Xu Liang . .
stop_
_Journal_abbreviation Oncotarget
_Journal_volume 8
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 106587
_Page_last 106597
_Year 2017
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'MSI2 RRM1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'MSI2 RRM1' $MSI2_RRM1
stop_
_System_molecular_weight 13129.91
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_MSI2_RRM1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common MSI2_RRM1
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# 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 .
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
UNP Q96DH6-1 . . . . . .
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$MSI2_RRM1 Human 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
$MSI2_RRM1 'recombinant technology' . Escherichia coli . pTBSG
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
$MSI2_RRM1 0.7 mM '[U-95% 13C; U-90% 15N]'
$MSI2_RRM1 0.6 mM '[U-95% 13C; U-90% 15N]'
$MSI2_RRM1 0.8 mM '[U-95% 13C; U-90% 15N]'
NaCl 150 mM 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$MSI2_RRM1 0.5 mM '[U-90% 15N]'
NaCl 150 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_NMRView
_Saveframe_category software
_Name NMRView
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Johnson, One Moon Scientific' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_NMRDraw
_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_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_CCPN
_Saveframe_category software
_Name CCPN
_Version .
loop_
_Vendor
_Address
_Electronic_address
CCPN . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 800
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_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_2
save_
save_3D_CBCA(CO)NH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HN(CO)CA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_3D_HN(CA)CO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 150 . mM
pH 6.0 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D CBCA(CO)NH'
'3D HNCO'
'3D HNCA'
'3D HNCACB'
'3D HN(CO)CA'
'3D HN(CA)CO'
stop_
loop_
_Sample_label
$sample_2
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'MSI2 RRM1'
_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 C C 174.63 0.1 1
2 4 8 SER CA C 58.47 0.5 1
3 5 9 THR H H 8.28 0.03 1
4 5 9 THR C C 174.57 0.1 1
5 5 9 THR CA C 61.89 0.5 1
6 5 9 THR N N 115.61 0.25 1
7 6 10 SER H H 8.30 0.03 1
8 6 10 SER C C 174.52 0.1 1
9 6 10 SER CA C 58.41 0.5 1
10 6 10 SER N N 117.99 0.25 1
11 7 11 VAL H H 8.07 0.03 1
12 7 11 VAL C C 175.57 0.1 1
13 7 11 VAL CA C 62.22 0.5 1
14 7 11 VAL N N 121.14 0.25 1
15 8 12 ASP H H 8.32 0.03 1
16 8 12 ASP C C 176.20 0.1 1
17 8 12 ASP CA C 55.60 0.5 1
18 8 12 ASP N N 123.66 0.25 1
19 9 13 LEU H H 8.32 0.03 1
20 9 13 LEU C C 178.13 0.1 1
21 9 13 LEU CA C 55.53 0.5 1
22 9 13 LEU N N 123.64 0.25 1
23 10 14 GLY H H 8.51 0.03 1
24 10 14 GLY C C 174.90 0.1 1
25 10 14 GLY CA C 45.72 0.5 1
26 10 14 GLY N N 109.06 0.25 1
27 11 15 THR H H 7.97 0.03 1
28 11 15 THR C C 175.11 0.1 1
29 11 15 THR CA C 62.45 0.5 1
30 11 15 THR N N 113.03 0.25 1
31 12 16 GLU H H 8.52 0.03 1
32 12 16 GLU C C 176.47 0.1 1
33 12 16 GLU CA C 57.50 0.5 1
34 12 16 GLU N N 122.51 0.25 1
35 13 17 ASN H H 8.33 0.03 1
36 13 17 ASN C C 175.53 0.1 1
37 13 17 ASN CA C 53.84 0.5 1
38 13 17 ASN N N 118.57 0.25 1
39 14 18 LEU H H 8.00 0.03 1
40 14 18 LEU C C 177.43 0.1 1
41 14 18 LEU CA C 56.00 0.5 1
42 14 18 LEU N N 121.78 0.25 1
43 15 19 TYR H H 7.96 0.03 1
44 15 19 TYR C C 176.00 0.1 1
45 15 19 TYR CA C 58.59 0.5 1
46 15 19 TYR N N 119.16 0.25 1
47 16 20 PHE H H 7.88 0.03 1
48 16 20 PHE C C 175.81 0.1 1
49 16 20 PHE CA C 58.22 0.5 1
50 16 20 PHE N N 119.78 0.25 1
51 17 21 GLN H H 8.11 0.03 1
52 17 21 GLN C C 176.28 0.1 1
53 17 21 GLN CA C 56.43 0.5 1
54 17 21 GLN N N 120.80 0.25 1
55 18 22 SER C C 174.58 0.1 1
56 18 22 SER CA C 58.99 0.5 1
57 19 23 ASN H H 8.19 0.03 1
58 19 23 ASN C C 175.28 0.1 1
59 19 23 ASN CA C 53.46 0.5 1
60 19 23 ASN N N 119.93 0.25 1
61 20 24 ALA H H 8.21 0.03 1
62 20 24 ALA C C 178.07 0.1 1
63 20 24 ALA CA C 54.02 0.5 1
64 20 24 ALA N N 124.18 0.25 1
65 21 25 GLY H H 8.85 0.03 1
66 21 25 GLY C C 172.74 0.1 1
67 21 25 GLY CA C 45.25 0.5 1
68 21 25 GLY N N 106.27 0.25 1
69 22 26 LYS H H 7.67 0.03 1
70 22 26 LYS C C 175.71 0.1 1
71 22 26 LYS CA C 56.39 0.5 1
72 22 26 LYS N N 121.31 0.25 1
73 23 27 MET H H 9.54 0.03 1
74 23 27 MET C C 174.53 0.1 1
75 23 27 MET CA C 55.50 0.5 1
76 23 27 MET N N 123.59 0.25 1
77 24 28 PHE H H 8.80 0.03 1
78 24 28 PHE C C 173.51 0.1 1
79 24 28 PHE CA C 55.26 0.5 1
80 24 28 PHE N N 124.50 0.25 1
81 25 29 ILE H H 8.37 0.03 1
82 25 29 ILE C C 174.00 0.1 1
83 25 29 ILE CA C 58.89 0.5 1
84 25 29 ILE N N 126.31 0.25 1
85 26 30 GLY H H 7.77 0.03 1
86 26 30 GLY C C 174.38 0.1 1
87 26 30 GLY CA C 43.83 0.5 1
88 26 30 GLY N N 112.65 0.25 1
89 27 31 GLY H H 8.57 0.03 1
90 27 31 GLY C C 174.81 0.1 1
91 27 31 GLY CA C 46.65 0.5 1
92 27 31 GLY N N 107.36 0.25 1
93 28 32 LEU H H 7.53 0.03 1
94 28 32 LEU C C 178.92 0.1 1
95 28 32 LEU CA C 54.23 0.5 1
96 28 32 LEU N N 114.44 0.25 1
97 29 33 SER H H 9.18 0.03 1
98 29 33 SER C C 177.41 0.1 1
99 29 33 SER CA C 57.81 0.5 1
100 29 33 SER N N 115.83 0.25 1
101 30 34 TRP H H 8.50 0.03 1
102 30 34 TRP C C 176.32 0.1 1
103 30 34 TRP CA C 59.10 0.5 1
104 30 34 TRP N N 128.47 0.25 1
105 31 35 GLN H H 7.73 0.03 1
106 31 35 GLN C C 176.79 0.1 1
107 31 35 GLN CA C 56.07 0.5 1
108 31 35 GLN N N 116.42 0.25 1
109 32 36 THR H H 7.38 0.03 1
110 32 36 THR C C 173.28 0.1 1
111 32 36 THR CA C 64.94 0.5 1
112 32 36 THR N N 118.99 0.25 1
113 33 37 SER H H 8.33 0.03 1
114 33 37 SER C C 176.40 0.1 1
115 33 37 SER CA C 56.56 0.5 1
116 33 37 SER N N 125.43 0.25 1
117 34 38 PRO C C 177.66 0.1 1
118 34 38 PRO CA C 65.86 0.5 1
119 35 39 ASP H H 7.83 0.03 1
120 35 39 ASP C C 177.68 0.1 1
121 35 39 ASP CA C 57.40 0.5 1
122 35 39 ASP N N 115.67 0.25 1
123 36 40 SER H H 7.98 0.03 1
124 36 40 SER C C 177.68 0.1 1
125 36 40 SER CA C 61.14 0.5 1
126 36 40 SER N N 117.72 0.25 1
127 37 41 LEU H H 8.05 0.03 1
128 37 41 LEU C C 177.88 0.1 1
129 37 41 LEU CA C 58.21 0.5 1
130 37 41 LEU N N 122.91 0.25 1
131 38 42 ARG H H 8.43 0.03 1
132 38 42 ARG C C 178.94 0.1 1
133 38 42 ARG CA C 59.78 0.5 1
134 38 42 ARG N N 120.40 0.25 1
135 39 43 ASP H H 8.44 0.03 1
136 39 43 ASP C C 178.41 0.1 1
137 39 43 ASP CA C 57.65 0.5 1
138 39 43 ASP N N 120.12 0.25 1
139 40 44 TYR H H 7.82 0.03 1
140 40 44 TYR C C 177.72 0.1 1
141 40 44 TYR CA C 62.06 0.5 1
142 40 44 TYR N N 118.55 0.25 1
143 41 45 PHE H H 8.50 0.03 1
144 41 45 PHE C C 177.80 0.1 1
145 41 45 PHE CA C 63.48 0.5 1
146 41 45 PHE N N 113.54 0.25 1
147 42 46 SER H H 8.71 0.03 1
148 42 46 SER C C 175.78 0.1 1
149 42 46 SER CA C 61.32 0.5 1
150 42 46 SER N N 117.43 0.25 1
151 43 47 LYS H H 7.11 0.03 1
152 43 47 LYS C C 177.32 0.1 1
153 43 47 LYS CA C 58.01 0.5 1
154 43 47 LYS N N 119.99 0.25 1
155 44 48 PHE H H 8.05 0.03 1
156 44 48 PHE C C 174.83 0.1 1
157 44 48 PHE CA C 58.40 0.5 1
158 44 48 PHE N N 116.36 0.25 1
159 45 49 GLY H H 7.45 0.03 1
160 45 49 GLY C C 170.51 0.1 1
161 45 49 GLY CA C 44.69 0.5 1
162 45 49 GLY N N 106.73 0.25 1
163 46 50 GLU H H 8.06 0.03 1
164 46 50 GLU C C 177.67 0.1 1
165 46 50 GLU CA C 57.06 0.5 1
166 46 50 GLU N N 117.25 0.25 1
167 47 51 ILE H H 9.12 0.03 1
168 47 51 ILE C C 175.84 0.1 1
169 47 51 ILE CA C 60.60 0.5 1
170 47 51 ILE N N 128.72 0.25 1
171 48 52 ARG H H 9.02 0.03 1
172 48 52 ARG C C 175.74 0.1 1
173 48 52 ARG CA C 56.81 0.5 1
174 48 52 ARG N N 126.51 0.25 1
175 49 53 GLU H H 7.46 0.03 1
176 49 53 GLU C C 174.06 0.1 1
177 49 53 GLU CA C 55.42 0.5 1
178 49 53 GLU N N 116.12 0.25 1
179 50 54 CYS H H 8.77 0.03 1
180 50 54 CYS C C 172.00 0.1 1
181 50 54 CYS CA C 58.05 0.5 1
182 50 54 CYS N N 122.09 0.25 1
183 51 55 MET H H 8.73 0.03 1
184 51 55 MET C C 173.45 0.1 1
185 51 55 MET CA C 54.66 0.5 1
186 51 55 MET N N 122.75 0.25 1
187 52 56 VAL H H 8.28 0.03 1
188 52 56 VAL C C 175.23 0.1 1
189 52 56 VAL CA C 62.35 0.5 1
190 52 56 VAL N N 121.15 0.25 1
191 53 57 MET H H 8.28 0.03 1
192 53 57 MET C C 175.13 0.1 1
193 53 57 MET CA C 54.83 0.5 1
194 53 57 MET N N 125.88 0.25 1
195 54 58 ARG H H 8.53 0.03 1
196 54 58 ARG C C 175.68 0.1 1
197 54 58 ARG CA C 54.33 0.5 1
198 54 58 ARG N N 121.68 0.25 1
199 55 59 ASP H H 8.66 0.03 1
200 55 59 ASP C C 175.95 0.1 1
201 55 59 ASP CA C 51.99 0.5 1
202 55 59 ASP N N 125.06 0.25 1
203 58 60 PRO C C 177.57 0.1 1
204 58 60 PRO CA C 64.66 0.5 1
205 57 61 THR H H 8.42 0.03 1
206 57 61 THR C C 176.01 0.1 1
207 57 61 THR CA C 64.94 0.5 1
208 57 61 THR N N 113.64 0.25 1
209 58 62 THR H H 8.19 0.03 1
210 58 62 THR C C 176.20 0.1 1
211 58 62 THR CA C 62.07 0.5 1
212 58 62 THR N N 111.37 0.25 1
213 59 63 LYS H H 8.15 0.03 1
214 59 63 LYS C C 175.39 0.1 1
215 59 63 LYS CA C 57.81 0.5 1
216 59 63 LYS N N 115.43 0.25 1
217 60 64 ARG H H 7.90 0.03 1
218 60 64 ARG C C 175.56 0.1 1
219 60 64 ARG CA C 55.99 0.5 1
220 60 64 ARG N N 119.77 0.25 1
221 61 65 SER H H 8.92 0.03 1
222 61 65 SER C C 176.28 0.1 1
223 61 65 SER CA C 58.64 0.5 1
224 61 65 SER N N 116.93 0.25 1
225 62 66 ARG H H 9.04 0.03 1
226 62 66 ARG C C 177.24 0.1 1
227 62 66 ARG CA C 56.11 0.5 1
228 62 66 ARG N N 124.31 0.25 1
229 63 67 GLY H H 9.21 0.03 1
230 63 67 GLY C C 172.09 0.1 1
231 63 67 GLY CA C 45.61 0.5 1
232 63 67 GLY N N 107.25 0.25 1
233 64 68 PHE H H 7.09 0.03 1
234 64 68 PHE C C 172.81 0.1 1
235 64 68 PHE CA C 54.96 0.5 1
236 64 68 PHE N N 112.46 0.25 1
237 65 69 GLY H H 8.28 0.03 1
238 65 69 GLY C C 169.99 0.1 1
239 65 69 GLY CA C 45.00 0.5 1
240 65 69 GLY N N 106.56 0.25 1
241 66 70 PHE H H 8.66 0.03 1
242 66 70 PHE C C 174.37 0.1 1
243 66 70 PHE CA C 56.67 0.5 1
244 66 70 PHE N N 115.05 0.25 1
245 67 71 VAL H H 8.39 0.03 1
246 67 71 VAL C C 173.58 0.1 1
247 67 71 VAL CA C 60.37 0.5 1
248 67 71 VAL N N 118.88 0.25 1
249 68 72 THR H H 8.70 0.03 1
250 68 72 THR C C 174.43 0.1 1
251 68 72 THR CA C 60.96 0.5 1
252 68 72 THR N N 121.16 0.25 1
253 69 73 PHE H H 8.98 0.03 1
254 69 73 PHE C C 175.20 0.1 1
255 69 73 PHE CA C 58.76 0.5 1
256 69 73 PHE N N 127.95 0.25 1
257 70 74 ALA H H 8.36 0.03 1
258 70 74 ALA C C 176.36 0.1 1
259 70 74 ALA CA C 54.38 0.5 1
260 70 74 ALA N N 122.28 0.25 1
261 71 75 ASP H H 8.90 0.03 1
262 71 75 ASP C C 175.54 0.1 1
263 71 75 ASP CA C 49.67 0.5 1
264 71 75 ASP N N 117.23 0.25 1
265 72 76 PRO C C 178.02 0.1 1
266 72 76 PRO CA C 64.91 0.5 1
267 73 77 ALA H H 8.66 0.03 1
268 73 77 ALA C C 180.73 0.1 1
269 73 77 ALA CA C 54.60 0.5 1
270 73 77 ALA N N 121.49 0.25 1
271 74 78 SER H H 8.43 0.03 1
272 74 78 SER C C 175.14 0.1 1
273 74 78 SER CA C 62.50 0.5 1
274 74 78 SER N N 115.32 0.25 1
275 75 79 VAL H H 7.31 0.03 1
276 75 79 VAL C C 177.52 0.1 1
277 75 79 VAL CA C 65.53 0.5 1
278 75 79 VAL N N 119.60 0.25 1
279 76 80 ASP H H 6.97 0.03 1
280 76 80 ASP C C 179.41 0.1 1
281 76 80 ASP CA C 57.32 0.5 1
282 76 80 ASP N N 116.89 0.25 1
283 77 81 LYS H H 7.23 0.03 1
284 77 81 LYS C C 179.09 0.1 1
285 77 81 LYS CA C 59.33 0.5 1
286 77 81 LYS N N 119.05 0.25 1
287 78 82 VAL H H 7.49 0.03 1
288 78 82 VAL C C 179.00 0.1 1
289 78 82 VAL CA C 66.87 0.5 1
290 78 82 VAL N N 120.02 0.25 1
291 79 83 LEU H H 8.05 0.03 1
292 79 83 LEU C C 178.42 0.1 1
293 79 83 LEU CA C 56.40 0.5 1
294 79 83 LEU N N 116.41 0.25 1
295 80 84 GLY H H 7.64 0.03 1
296 80 84 GLY C C 173.15 0.1 1
297 80 84 GLY CA C 45.26 0.5 1
298 80 84 GLY N N 105.34 0.25 1
299 81 85 GLN H H 7.41 0.03 1
300 81 85 GLN C C 174.25 0.1 1
301 81 85 GLN CA C 52.19 0.5 1
302 81 85 GLN N N 123.05 0.25 1
303 82 86 PRO C C 176.37 0.1 1
304 82 86 PRO CA C 64.88 0.5 1
305 83 87 HIS H H 7.52 0.03 1
306 83 87 HIS C C 172.34 0.1 1
307 83 87 HIS CA C 55.59 0.5 1
308 83 87 HIS N N 114.95 0.25 1
309 84 88 HIS H H 9.03 0.03 1
310 84 88 HIS C C 173.26 0.1 1
311 84 88 HIS CA C 55.90 0.5 1
312 84 88 HIS N N 125.99 0.25 1
313 85 89 GLU H H 7.99 0.03 1
314 85 89 GLU C C 173.04 0.1 1
315 85 89 GLU CA C 54.28 0.5 1
316 85 89 GLU N N 122.01 0.25 1
317 86 90 LEU H H 8.57 0.03 1
318 86 90 LEU C C 176.23 0.1 1
319 86 90 LEU CA C 54.26 0.5 1
320 86 90 LEU N N 123.49 0.25 1
321 87 91 ASP H H 9.56 0.03 1
322 87 91 ASP C C 175.00 0.1 1
323 87 91 ASP CA C 56.17 0.5 1
324 87 91 ASP N N 128.21 0.25 1
325 88 92 SER H H 8.69 0.03 1
326 88 92 SER C C 172.95 0.1 1
327 88 92 SER CA C 59.92 0.5 1
328 88 92 SER N N 105.50 0.25 1
329 89 93 LYS H H 7.49 0.03 1
330 89 93 LYS C C 175.14 0.1 1
331 89 93 LYS CA C 53.55 0.5 1
332 89 93 LYS N N 120.86 0.25 1
333 90 94 THR H H 8.57 0.03 1
334 90 94 THR C C 174.66 0.1 1
335 90 94 THR CA C 63.73 0.5 1
336 90 94 THR N N 121.17 0.25 1
337 91 95 ILE H H 8.01 0.03 1
338 91 95 ILE C C 174.66 0.1 1
339 91 95 ILE CA C 60.45 0.5 1
340 91 95 ILE N N 121.81 0.25 1
341 92 96 ASP H H 8.37 0.03 1
342 92 96 ASP C C 173.14 0.1 1
343 92 96 ASP CA C 51.35 0.5 1
344 92 96 ASP N N 117.83 0.25 1
345 93 97 PRO C C 175.87 0.1 1
346 93 97 PRO CA C 61.65 0.5 1
347 94 98 LYS H H 9.50 0.03 1
348 94 98 LYS C C 175.90 0.1 1
349 94 98 LYS CA C 54.64 0.5 1
350 94 98 LYS N N 121.79 0.25 1
351 95 99 VAL H H 8.65 0.03 1
352 95 99 VAL C C 175.66 0.1 1
353 95 99 VAL CA C 63.98 0.5 1
354 95 99 VAL N N 119.40 0.25 1
355 96 100 ALA H H 8.01 0.03 1
356 96 100 ALA C C 176.13 0.1 1
357 96 100 ALA CA C 52.86 0.5 1
358 96 100 ALA N N 126.34 0.25 1
359 97 101 PHE H H 8.12 0.03 1
360 97 101 PHE C C 173.15 0.1 1
361 97 101 PHE CA C 55.08 0.5 1
362 97 101 PHE N N 118.54 0.25 1
363 98 102 PRO C C 175.93 0.1 1
364 98 102 PRO CA C 63.13 0.5 1
365 99 103 ARG H H 8.39 0.03 1
366 99 103 ARG C C 176.52 0.1 1
367 99 103 ARG CA C 56.43 0.5 1
368 99 103 ARG N N 121.61 0.25 1
369 100 104 ARG H H 8.34 0.03 1
370 100 104 ARG C C 175.71 0.1 1
371 100 104 ARG CA C 55.91 0.5 1
372 100 104 ARG N N 122.30 0.25 1
373 101 105 ALA H H 8.35 0.03 1
374 101 105 ALA C C 177.19 0.1 1
375 101 105 ALA CA C 52.24 0.5 1
376 101 105 ALA N N 125.64 0.25 1
377 102 106 GLN H H 8.35 0.03 1
378 102 106 GLN C C 173.96 0.1 1
379 102 106 GLN CA C 53.71 0.5 1
380 102 106 GLN N N 121.08 0.25 1
381 103 107 PRO C C 175.37 0.1 1
382 103 107 PRO CA C 63.23 0.5 1
383 104 108 LYS H H 8.31 0.03 1
384 104 108 LYS C C 176.44 0.1 1
385 104 108 LYS CA C 56.39 0.5 1
386 104 108 LYS N N 123.55 0.25 1
387 105 109 MET H H 8.39 0.03 1
388 105 109 MET C C 175.94 0.1 1
389 105 109 MET CA C 55.36 0.5 1
390 105 109 MET N N 122.23 0.25 1
391 106 110 VAL H H 8.25 0.03 1
392 106 110 VAL C C 176.12 0.1 1
393 106 110 VAL CA C 62.30 0.5 1
394 106 110 VAL N N 122.53 0.25 1
395 107 111 THR H H 8.28 0.03 1
396 107 111 THR C C 174.24 0.1 1
397 107 111 THR CA C 62.00 0.5 1
398 107 111 THR N N 119.12 0.25 1
399 108 112 ARG H H 8.45 0.03 1
400 108 112 ARG C C 176.21 0.1 1
401 108 112 ARG CA C 55.97 0.5 1
402 108 112 ARG N N 124.26 0.25 1
403 109 113 THR H H 8.22 0.03 1
404 109 113 THR C C 174.17 0.1 1
405 109 113 THR CA C 62.00 0.5 1
406 109 113 THR N N 116.33 0.25 1
407 110 114 LYS H H 8.33 0.03 1
408 110 114 LYS C C 175.37 0.1 1
409 110 114 LYS CA C 56.41 0.5 1
410 110 114 LYS N N 124.73 0.25 1
411 111 115 LYS H H 8.03 0.03 1
412 111 115 LYS C C 181.28 0.1 1
413 111 115 LYS CA C 57.93 0.5 1
414 111 115 LYS N N 128.78 0.25 1
stop_
save_