data_27834
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Sequence Specific Assignment of OSR1 C-terminal Domain.
;
_BMRB_accession_number 27834
_BMRB_flat_file_name bmr27834.str
_Entry_type original
_Submission_date 2019-03-12
_Accession_date 2019-03-12
_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 AlAmri Mubarak A. .
2 Jeeves Mark . .
3 Mehellou Youcef . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 80
"13C chemical shifts" 247
"15N chemical shifts" 80
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2019-05-22 original BMRB .
stop_
_Original_release_date 2019-03-12
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Sequence Specific Assignment and Determination of OSR1 C-terminal Domain Structure by NMR
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 30894278
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 AlAmri Mubarak A. .
2 Jeeves Mark . .
3 Mehellou Youcef . .
stop_
_Journal_abbreviation 'Biochem. Biophys. Res. Commun.'
_Journal_volume 512
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 338
_Page_last 343
_Year 2019
_Details .
loop_
_Keyword
Assignment
Kinase
NMR
OSR1
SPAK
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'OSR1 C-terminal Domain'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'C-terminal Domain' $OSR1
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_OSR1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common OSR1
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 95
_Mol_residue_sequence
;
PISLVLRLRNSKKELNDIRF
EFTPGRDTAEGVSQELISAG
LVDGRDLVIVAANLQKIVEE
PQSNRSVTFKLASGVEGSDI
PDDGKLIGFAQLSIS
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 433 PRO 2 434 ILE 3 435 SER 4 436 LEU 5 437 VAL
6 438 LEU 7 439 ARG 8 440 LEU 9 441 ARG 10 442 ASN
11 443 SER 12 444 LYS 13 445 LYS 14 446 GLU 15 447 LEU
16 448 ASN 17 449 ASP 18 450 ILE 19 451 ARG 20 452 PHE
21 453 GLU 22 454 PHE 23 455 THR 24 456 PRO 25 457 GLY
26 458 ARG 27 459 ASP 28 460 THR 29 461 ALA 30 462 GLU
31 463 GLY 32 464 VAL 33 465 SER 34 466 GLN 35 467 GLU
36 468 LEU 37 469 ILE 38 470 SER 39 471 ALA 40 472 GLY
41 473 LEU 42 474 VAL 43 475 ASP 44 476 GLY 45 477 ARG
46 478 ASP 47 479 LEU 48 480 VAL 49 481 ILE 50 482 VAL
51 483 ALA 52 484 ALA 53 485 ASN 54 486 LEU 55 487 GLN
56 488 LYS 57 489 ILE 58 490 VAL 59 491 GLU 60 492 GLU
61 493 PRO 62 494 GLN 63 495 SER 64 496 ASN 65 497 ARG
66 498 SER 67 499 VAL 68 500 THR 69 501 PHE 70 502 LYS
71 503 LEU 72 504 ALA 73 505 SER 74 506 GLY 75 507 VAL
76 508 GLU 77 509 GLY 78 510 SER 79 511 ASP 80 512 ILE
81 513 PRO 82 514 ASP 83 515 ASP 84 516 GLY 85 517 LYS
86 518 LEU 87 519 ILE 88 520 GLY 89 521 PHE 90 522 ALA
91 523 GLN 92 524 LEU 93 525 SER 94 526 ILE 95 527 SER
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
$OSR1 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
$OSR1 'recombinant technology' . Escherichia coli BL21(DE3) pGEX-6P-1
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
$OSR1 0.2 mM '[U-100% 13C; U-100% 15N]'
TRIS 50 mM [U-2H]
'sodium chloride' 150 mM 'natural abundance'
DTT 1 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
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_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_CcpNmr_Analysis
_Saveframe_category software
_Name CcpNmr_Analysis
_Version .
loop_
_Vendor
_Address
_Electronic_address
'ranken, Boucher, Stevens, Fogh, Pajon, Llinas, Ulrich, Markley, Ionides, Laue' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_HNCO_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_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_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
pH 7.4 . 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
water C 13 protons ppm 4.8 internal indirect . . . 0.251449530
water H 1 protons ppm 4.8 internal direct . . . 1.0
water N 15 protons ppm 4.8 internal 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 HNCO'
'3D HNCA'
'3D HNCACB'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'C-terminal Domain'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 2 2 ILE C C 171.902 0.000 1
2 2 2 ILE CA C 50.401 0.036 1
3 2 2 ILE CB C 44.245 0.000 1
4 3 3 SER H H 8.915 0.005 1
5 3 3 SER C C 169.832 0.035 1
6 3 3 SER CA C 53.960 0.126 1
7 3 3 SER CB C 63.520 0.071 1
8 3 3 SER N N 116.951 0.062 1
9 4 4 LEU H H 8.111 0.003 1
10 4 4 LEU C C 173.676 0.000 1
11 4 4 LEU CA C 58.137 0.151 1
12 4 4 LEU CB C 36.049 0.000 1
13 4 4 LEU N N 121.891 0.060 1
14 6 6 LEU H H 8.508 0.002 1
15 6 6 LEU C C 173.364 0.000 1
16 6 6 LEU CA C 51.238 0.052 1
17 6 6 LEU CB C 42.819 0.034 1
18 6 6 LEU N N 126.054 0.036 1
19 7 7 ARG H H 8.515 0.005 1
20 7 7 ARG C C 171.807 0.048 1
21 7 7 ARG CA C 57.956 0.067 1
22 7 7 ARG CB C 31.913 0.000 1
23 7 7 ARG N N 118.271 0.059 1
24 8 8 LEU H H 9.496 0.009 1
25 8 8 LEU C C 170.693 0.000 1
26 8 8 LEU CA C 50.127 0.096 1
27 8 8 LEU CB C 42.326 0.034 1
28 8 8 LEU N N 131.217 0.075 1
29 9 9 ARG H H 9.587 0.006 1
30 9 9 ARG C C 171.735 0.046 1
31 9 9 ARG CA C 51.883 0.083 1
32 9 9 ARG N N 128.985 0.051 1
33 10 10 ASN H H 8.322 0.005 1
34 10 10 ASN C C 172.382 0.000 1
35 10 10 ASN CA C 51.704 0.000 1
36 10 10 ASN CB C 40.752 0.000 1
37 10 10 ASN N N 120.645 0.095 1
38 11 11 SER C C 172.815 0.000 1
39 11 11 SER CA C 58.495 0.000 1
40 11 11 SER CB C 59.955 0.000 1
41 12 12 LYS H H 7.442 0.003 1
42 12 12 LYS C C 172.746 0.027 1
43 12 12 LYS CA C 53.022 0.073 1
44 12 12 LYS CB C 29.137 0.141 1
45 12 12 LYS N N 121.322 0.051 1
46 13 13 LYS H H 8.257 0.005 1
47 13 13 LYS C C 172.640 0.035 1
48 13 13 LYS CA C 55.608 0.151 1
49 13 13 LYS CB C 26.444 0.034 1
50 13 13 LYS N N 112.450 0.077 1
51 14 14 GLU H H 7.811 0.005 1
52 14 14 GLU C C 173.398 0.042 1
53 14 14 GLU CA C 52.312 0.096 1
54 14 14 GLU CB C 27.385 0.020 1
55 14 14 GLU N N 121.064 0.064 1
56 15 15 LEU H H 8.653 0.005 1
57 15 15 LEU C C 173.309 0.028 1
58 15 15 LEU CA C 52.664 0.042 1
59 15 15 LEU CB C 40.078 0.038 1
60 15 15 LEU N N 125.574 0.074 1
61 16 16 ASN H H 8.709 0.004 1
62 16 16 ASN C C 169.137 0.000 1
63 16 16 ASN CA C 49.754 0.078 1
64 16 16 ASN CB C 39.771 0.048 1
65 16 16 ASN N N 123.763 0.081 1
66 17 17 ASP H H 8.152 0.005 1
67 17 17 ASP C C 172.632 0.031 1
68 17 17 ASP CA C 50.507 0.126 1
69 17 17 ASP CB C 39.073 0.193 1
70 17 17 ASP N N 120.320 0.059 1
71 18 18 ILE H H 9.426 0.006 1
72 18 18 ILE C C 172.043 0.047 1
73 18 18 ILE CA C 58.003 0.153 1
74 18 18 ILE CB C 36.384 0.000 1
75 18 18 ILE N N 127.033 0.053 1
76 19 19 ARG H H 8.570 0.003 1
77 19 19 ARG C C 173.260 0.000 1
78 19 19 ARG CA C 52.422 0.014 1
79 19 19 ARG CB C 28.389 0.063 1
80 19 19 ARG N N 127.829 0.084 1
81 20 20 PHE H H 8.450 0.005 1
82 20 20 PHE C C 168.786 0.024 1
83 20 20 PHE CA C 53.299 0.151 1
84 20 20 PHE CB C 36.777 0.141 1
85 20 20 PHE N N 120.605 0.059 1
86 21 21 GLU H H 8.310 0.005 1
87 21 21 GLU C C 172.416 0.000 1
88 21 21 GLU CA C 51.706 0.000 1
89 21 21 GLU CB C 30.864 0.005 1
90 21 21 GLU N N 118.099 0.067 1
91 22 22 PHE H H 8.848 0.006 1
92 22 22 PHE C C 172.144 0.000 1
93 22 22 PHE CA C 54.184 0.023 1
94 22 22 PHE CB C 41.920 0.061 1
95 22 22 PHE N N 122.197 0.075 1
96 23 23 THR H H 9.986 0.004 1
97 23 23 THR C C 169.197 0.000 1
98 23 23 THR CA C 57.353 0.000 1
99 23 23 THR CB C 66.352 0.000 1
100 23 23 THR N N 128.993 0.051 1
101 25 25 GLY C C 170.530 0.000 1
102 25 25 GLY CA C 42.661 0.043 1
103 26 26 ARG H H 7.447 0.006 1
104 26 26 ARG C C 173.015 0.037 1
105 26 26 ARG CA C 54.305 0.092 1
106 26 26 ARG CB C 29.955 0.036 1
107 26 26 ARG N N 119.501 0.063 1
108 27 27 ASP H H 7.573 0.007 1
109 27 27 ASP C C 172.126 0.087 1
110 27 27 ASP CA C 51.296 0.051 1
111 27 27 ASP CB C 39.987 0.083 1
112 27 27 ASP N N 117.912 0.054 1
113 28 28 THR H H 8.241 0.006 1
114 28 28 THR C C 172.061 0.000 1
115 28 28 THR CA C 56.005 0.000 1
116 28 28 THR CB C 69.213 0.000 1
117 28 28 THR N N 107.164 0.092 1
118 29 29 ALA C C 177.568 0.000 1
119 29 29 ALA CA C 53.000 0.047 1
120 29 29 ALA CB C 15.582 0.022 1
121 30 30 GLU H H 9.391 0.005 1
122 30 30 GLU C C 175.158 0.000 1
123 30 30 GLU CA C 57.731 0.036 1
124 30 30 GLU CB C 26.293 0.043 1
125 30 30 GLU N N 118.572 0.041 1
126 31 31 GLY H H 8.093 0.006 1
127 31 31 GLY C C 174.459 0.071 1
128 31 31 GLY CA C 44.209 0.067 1
129 31 31 GLY N N 109.781 0.071 1
130 32 32 VAL H H 8.278 0.008 1
131 32 32 VAL C C 175.277 0.046 1
132 32 32 VAL CA C 63.403 0.074 1
133 32 32 VAL CB C 29.124 0.073 1
134 32 32 VAL N N 122.825 0.065 1
135 33 33 SER H H 7.652 0.002 1
136 33 33 SER C C 173.234 0.000 1
137 33 33 SER CA C 60.569 0.103 1
138 33 33 SER N N 114.699 0.039 1
139 34 34 GLN H H 8.152 0.006 1
140 34 34 GLN C C 175.896 0.056 1
141 34 34 GLN CA C 56.107 0.047 1
142 34 34 GLN CB C 25.451 0.012 1
143 34 34 GLN N N 118.004 0.082 1
144 35 35 GLU H H 7.819 0.006 1
145 35 35 GLU C C 177.140 0.050 1
146 35 35 GLU CA C 56.919 0.094 1
147 35 35 GLU CB C 26.175 0.047 1
148 35 35 GLU N N 121.315 0.043 1
149 36 36 LEU H H 7.796 0.004 1
150 36 36 LEU C C 176.764 0.030 1
151 36 36 LEU CA C 55.253 0.137 1
152 36 36 LEU CB C 39.090 0.148 1
153 36 36 LEU N N 119.919 0.100 1
154 37 37 ILE H H 7.737 0.005 1
155 37 37 ILE C C 178.798 0.043 1
156 37 37 ILE CA C 61.325 0.122 1
157 37 37 ILE CB C 35.484 0.000 1
158 37 37 ILE N N 121.171 0.101 1
159 38 38 SER H H 9.064 0.002 1
160 38 38 SER C C 172.862 0.000 1
161 38 38 SER CA C 58.971 0.074 1
162 38 38 SER CB C 59.930 0.000 1
163 38 38 SER N N 120.618 0.048 1
164 39 39 ALA H H 7.538 0.004 1
165 39 39 ALA C C 174.807 0.010 1
166 39 39 ALA CA C 49.595 0.056 1
167 39 39 ALA CB C 16.434 0.008 1
168 39 39 ALA N N 120.460 0.031 1
169 40 40 GLY H H 8.089 0.004 1
170 40 40 GLY C C 172.050 0.000 1
171 40 40 GLY CA C 42.672 0.108 1
172 40 40 GLY N N 106.942 0.050 1
173 41 41 LEU H H 7.684 0.005 1
174 41 41 LEU C C 172.562 0.000 1
175 41 41 LEU CA C 53.031 0.067 1
176 41 41 LEU CB C 40.306 0.068 1
177 41 41 LEU N N 118.035 0.060 1
178 42 42 VAL H H 6.594 0.006 1
179 42 42 VAL C C 171.200 0.024 1
180 42 42 VAL CA C 56.757 0.113 1
181 42 42 VAL CB C 34.193 0.071 1
182 42 42 VAL N N 117.198 0.039 1
183 43 43 ASP H H 9.879 0.006 1
184 43 43 ASP C C 175.316 0.000 1
185 43 43 ASP CA C 52.050 0.102 1
186 43 43 ASP CB C 40.905 0.121 1
187 43 43 ASP N N 129.997 0.032 1
188 44 44 GLY H H 9.007 0.005 1
189 44 44 GLY C C 173.836 0.046 1
190 44 44 GLY CA C 45.291 0.129 1
191 44 44 GLY N N 113.987 0.035 1
192 45 45 ARG H H 9.419 0.003 1
193 45 45 ARG C C 175.254 0.043 1
194 45 45 ARG CA C 55.400 0.037 1
195 45 45 ARG CB C 27.694 0.035 1
196 45 45 ARG N N 119.672 0.070 1
197 46 46 ASP H H 8.322 0.004 1
198 46 46 ASP C C 172.110 0.000 1
199 46 46 ASP CA C 52.450 0.033 1
200 46 46 ASP CB C 39.157 0.015 1
201 46 46 ASP N N 117.702 0.068 1
202 47 47 LEU H H 6.821 0.005 1
203 47 47 LEU C C 174.569 0.031 1
204 47 47 LEU CA C 57.385 0.089 1
205 47 47 LEU CB C 39.482 0.009 1
206 47 47 LEU N N 120.026 0.058 1
207 48 48 VAL H H 7.918 0.005 1
208 48 48 VAL C C 176.074 0.015 1
209 48 48 VAL CA C 63.608 0.057 1
210 48 48 VAL CB C 28.665 0.075 1
211 48 48 VAL N N 116.129 0.058 1
212 49 49 ILE H H 7.937 0.005 1
213 49 49 ILE C C 175.997 0.000 1
214 49 49 ILE CA C 59.966 0.089 1
215 49 49 ILE CB C 36.399 0.017 1
216 49 49 ILE N N 121.442 0.059 1
217 50 50 VAL H H 8.459 0.005 1
218 50 50 VAL C C 174.363 0.019 1
219 50 50 VAL CA C 64.755 0.119 1
220 50 50 VAL CB C 28.273 0.042 1
221 50 50 VAL N N 123.876 0.038 1
222 51 51 ALA H H 8.064 0.006 1
223 51 51 ALA C C 176.446 0.042 1
224 51 51 ALA CA C 53.217 0.057 1
225 51 51 ALA CB C 14.770 0.013 1
226 51 51 ALA N N 120.530 0.076 1
227 52 52 ALA H H 8.155 0.006 1
228 52 52 ALA C C 178.213 0.056 1
229 52 52 ALA CA C 52.144 0.024 1
230 52 52 ALA CB C 15.423 0.047 1
231 52 52 ALA N N 118.631 0.054 1
232 53 53 ASN H H 7.260 0.005 1
233 53 53 ASN C C 173.181 0.053 1
234 53 53 ASN CA C 54.495 0.062 1
235 53 53 ASN CB C 37.039 0.032 1
236 53 53 ASN N N 116.952 0.056 1
237 54 54 LEU H H 8.510 0.004 1
238 54 54 LEU C C 174.133 0.000 1
239 54 54 LEU CA C 54.892 0.032 1
240 54 54 LEU CB C 38.987 0.000 1
241 54 54 LEU N N 122.700 0.028 1
242 55 55 GLN H H 8.030 0.004 1
243 55 55 GLN C C 174.272 0.000 1
244 55 55 GLN CA C 55.886 0.048 1
245 55 55 GLN CB C 25.358 0.003 1
246 55 55 GLN N N 116.854 0.075 1
247 56 56 LYS H H 6.978 0.006 1
248 56 56 LYS C C 176.263 0.051 1
249 56 56 LYS CA C 56.097 0.062 1
250 56 56 LYS CB C 29.676 0.022 1
251 56 56 LYS N N 114.913 0.051 1
252 57 57 ILE H H 7.535 0.005 1
253 57 57 ILE C C 173.885 0.046 1
254 57 57 ILE CA C 61.288 0.105 1
255 57 57 ILE CB C 35.280 0.000 1
256 57 57 ILE N N 118.211 0.069 1
257 58 58 VAL H H 7.341 0.008 1
258 58 58 VAL C C 174.128 0.025 1
259 58 58 VAL CA C 61.035 0.110 1
260 58 58 VAL N N 112.219 0.107 1
261 59 59 GLU H H 7.386 0.003 1
262 59 59 GLU C C 174.607 0.042 1
263 59 59 GLU CA C 55.423 0.082 1
264 59 59 GLU CB C 27.401 0.030 1
265 59 59 GLU N N 118.789 0.056 1
266 60 60 GLU H H 7.256 0.007 1
267 60 60 GLU C C 170.859 0.000 1
268 60 60 GLU CA C 51.294 0.060 1
269 60 60 GLU CB C 27.397 0.000 1
270 60 60 GLU N N 117.330 0.037 1
271 61 61 PRO C C 173.906 0.035 1
272 61 61 PRO CA C 60.067 0.072 1
273 61 61 PRO CB C 29.641 0.092 1
274 62 62 GLN H H 9.027 0.005 1
275 62 62 GLN C C 172.405 0.000 1
276 62 62 GLN CA C 58.102 0.062 1
277 62 62 GLN N N 123.523 0.053 1
278 63 63 SER H H 8.618 0.006 1
279 63 63 SER C C 171.415 0.000 1
280 63 63 SER CA C 55.444 0.180 1
281 63 63 SER CB C 60.791 0.001 1
282 63 63 SER N N 122.893 0.058 1
283 64 64 ASN H H 7.697 0.164 1
284 64 64 ASN C C 172.230 0.000 1
285 64 64 ASN CA C 51.942 0.000 1
286 64 64 ASN CB C 38.911 0.035 1
287 64 64 ASN N N 122.209 0.115 1
288 65 65 ARG H H 8.069 0.003 1
289 65 65 ARG C C 171.237 0.000 1
290 65 65 ARG CA C 55.473 0.000 1
291 65 65 ARG CB C 36.090 0.000 1
292 65 65 ARG N N 122.136 0.040 1
293 67 67 VAL C C 170.896 0.000 1
294 67 67 VAL CB C 32.971 0.051 1
295 68 68 THR H H 8.641 0.006 1
296 68 68 THR C C 171.476 0.031 1
297 68 68 THR CA C 58.767 0.169 1
298 68 68 THR CB C 67.501 0.017 1
299 68 68 THR N N 122.959 0.040 1
300 69 69 PHE H H 8.707 0.004 1
301 69 69 PHE C C 169.812 0.000 1
302 69 69 PHE CA C 51.599 0.066 1
303 69 69 PHE CB C 38.592 0.031 1
304 69 69 PHE N N 122.244 0.061 1
305 70 70 LYS H H 8.613 0.004 1
306 70 70 LYS C C 173.418 0.049 1
307 70 70 LYS CA C 53.768 0.105 1
308 70 70 LYS CB C 30.715 0.022 1
309 70 70 LYS N N 123.881 0.065 1
310 71 71 LEU H H 7.600 0.005 1
311 71 71 LEU C C 174.951 0.027 1
312 71 71 LEU CA C 51.132 0.078 1
313 71 71 LEU CB C 38.355 0.062 1
314 71 71 LEU N N 124.012 0.087 1
315 72 72 ALA H H 8.261 0.009 1
316 72 72 ALA C C 177.450 0.059 1
317 72 72 ALA CA C 51.177 0.154 1
318 72 72 ALA CB C 16.054 0.000 1
319 72 72 ALA N N 128.237 0.067 1
320 73 73 SER H H 9.627 0.015 1
321 73 73 SER C C 172.887 0.000 1
322 73 73 SER CA C 56.487 0.059 1
323 73 73 SER CB C 58.988 0.060 1
324 73 73 SER N N 115.681 0.036 1
325 74 74 GLY H H 7.035 0.005 1
326 74 74 GLY C C 171.279 0.052 1
327 74 74 GLY CA C 43.121 0.010 1
328 74 74 GLY N N 106.410 0.113 1
329 75 75 VAL H H 7.680 0.006 1
330 75 75 VAL C C 172.917 0.008 1
331 75 75 VAL CA C 58.486 0.089 1
332 75 75 VAL CB C 30.577 0.000 1
333 75 75 VAL N N 116.389 0.062 1
334 76 76 GLU H H 8.604 0.007 1
335 76 76 GLU C C 174.031 0.037 1
336 76 76 GLU CA C 52.763 0.042 1
337 76 76 GLU N N 122.392 0.104 1
338 77 77 GLY H H 8.279 0.005 1
339 77 77 GLY CA C 43.249 0.000 1
340 77 77 GLY N N 109.345 0.097 1
341 81 81 PRO C C 173.930 0.000 1
342 81 81 PRO CA C 60.442 0.000 1
343 81 81 PRO CB C 29.544 0.089 1
344 82 82 ASP H H 9.166 0.005 1
345 82 82 ASP C C 172.747 0.000 1
346 82 82 ASP CA C 51.404 0.041 1
347 82 82 ASP CB C 41.423 0.000 1
348 82 82 ASP N N 121.580 0.067 1
349 83 83 ASP H H 8.524 0.005 1
350 83 83 ASP C C 174.322 0.000 1
351 83 83 ASP CA C 53.379 0.043 1
352 83 83 ASP N N 127.135 0.090 1
353 84 84 GLY H H 8.008 0.004 1
354 84 84 GLY C C 172.846 0.000 1
355 84 84 GLY CA C 43.686 0.043 1
356 84 84 GLY N N 110.263 0.052 1
357 85 85 LYS H H 7.631 0.006 1
358 85 85 LYS C C 172.302 0.052 1
359 85 85 LYS CA C 52.839 0.087 1
360 85 85 LYS CB C 31.101 0.100 1
361 85 85 LYS N N 117.956 0.037 1
362 86 86 LEU H H 7.538 0.004 1
363 86 86 LEU C C 172.617 0.062 1
364 86 86 LEU CA C 53.213 0.074 1
365 86 86 LEU CB C 34.844 0.007 1
366 86 86 LEU N N 116.232 0.056 1
367 87 87 ILE H H 8.362 0.005 1
368 87 87 ILE C C 174.009 0.047 1
369 87 87 ILE CA C 58.170 0.110 1
370 87 87 ILE CB C 35.621 0.061 1
371 87 87 ILE N N 121.941 0.093 1
372 88 88 GLY H H 9.471 0.005 1
373 88 88 GLY C C 169.659 0.000 1
374 88 88 GLY CA C 42.324 0.010 1
375 88 88 GLY N N 113.937 0.090 1
376 89 89 PHE H H 6.739 0.003 1
377 89 89 PHE C C 169.818 0.000 1
378 89 89 PHE CA C 53.010 0.057 1
379 89 89 PHE CB C 43.059 0.000 1
380 89 89 PHE N N 115.510 0.037 1
381 90 90 ALA H H 8.642 0.004 1
382 90 90 ALA C C 170.920 0.000 1
383 90 90 ALA CA C 47.012 0.020 1
384 90 90 ALA CB C 22.017 0.006 1
385 90 90 ALA N N 121.715 0.039 1
386 91 91 GLN H H 8.551 0.004 1
387 91 91 GLN C C 171.562 0.022 1
388 91 91 GLN CA C 51.051 0.132 1
389 91 91 GLN N N 117.883 0.067 1
390 92 92 LEU H H 9.279 0.004 1
391 92 92 LEU C C 171.861 0.000 1
392 92 92 LEU CA C 50.426 0.000 1
393 92 92 LEU CB C 44.490 0.000 1
394 92 92 LEU N N 129.916 0.069 1
395 93 93 SER C C 170.818 0.000 1
396 93 93 SER CA C 54.284 0.011 1
397 93 93 SER CB C 62.689 0.000 1
398 94 94 ILE H H 9.158 0.005 1
399 94 94 ILE C C 173.708 0.000 1
400 94 94 ILE CA C 58.404 0.039 1
401 94 94 ILE CB C 36.044 0.000 1
402 94 94 ILE N N 122.446 0.071 1
403 95 95 SER H H 8.438 0.005 1
404 95 95 SER C C 176.102 0.000 1
405 95 95 SER CA C 56.998 0.129 1
406 95 95 SER CB C 61.916 0.000 1
407 95 95 SER N N 129.861 0.064 1
stop_
save_