data_28111
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone 1H, 13C and 15N chemical shift assignments of the N-terminal portion of ALIX-PRD
;
_BMRB_accession_number 28111
_BMRB_flat_file_name bmr28111.str
_Entry_type original
_Submission_date 2020-03-27
_Accession_date 2020-03-27
_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 Deshmukh Lalit . .
2 Elias Ruben D. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 73
"13C chemical shifts" 292
"15N chemical shifts" 106
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2020-11-30 update BMRB 'update entry citation'
2020-08-31 original author 'original release'
stop_
_Original_release_date 2020-03-27
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Proline-rich domain of human ALIX contains multiple TSG101-UEV interaction sites and forms phosphorylation-mediated reversible amyloids
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 32917811
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Elias Ruben D. .
2 Ma Wen . .
3 Ghirlando Rodolfo . .
4 Schwieters Charles D. .
5 Reddy Vijay . .
6 Deshmukh Lalit . .
stop_
_Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.'
_Journal_volume 117
_Journal_issue 39
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 24274
_Page_last 24284
_Year 2020
_Details .
loop_
_Keyword
ALIX
'CPMG relaxation dispersion'
ESCRT
'Intrinsically disordered protein'
'Proline-rich domain'
'carbon-detected NMR'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name ALIX
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
ALIX $ALIX
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_ALIX
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common ALIX
_Molecular_mass .
_Mol_thiol_state unknown
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 107
_Mol_residue_sequence
;
GDELLKDLQQSIAREPSAPS
IPTPAYQSSPAGGHAPTPPT
PAPRTMPPTKPQPPARPPPP
VLPANRAPSATAPSPVGAGT
AAPAPSQTPGSAPPPQAQGW
SHPQFEK
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 702 GLY 2 703 ASP 3 704 GLU 4 705 LEU 5 706 LEU
6 707 LYS 7 708 ASP 8 709 LEU 9 710 GLN 10 711 GLN
11 712 SER 12 713 ILE 13 714 ALA 14 715 ARG 15 716 GLU
16 717 PRO 17 718 SER 18 719 ALA 19 720 PRO 20 721 SER
21 722 ILE 22 723 PRO 23 724 THR 24 725 PRO 25 726 ALA
26 727 TYR 27 728 GLN 28 729 SER 29 730 SER 30 731 PRO
31 732 ALA 32 733 GLY 33 734 GLY 34 735 HIS 35 736 ALA
36 737 PRO 37 738 THR 38 739 PRO 39 740 PRO 40 741 THR
41 742 PRO 42 743 ALA 43 744 PRO 44 745 ARG 45 746 THR
46 747 MET 47 748 PRO 48 749 PRO 49 750 THR 50 751 LYS
51 752 PRO 52 753 GLN 53 754 PRO 54 755 PRO 55 756 ALA
56 757 ARG 57 758 PRO 58 759 PRO 59 760 PRO 60 761 PRO
61 762 VAL 62 763 LEU 63 764 PRO 64 765 ALA 65 766 ASN
66 767 ARG 67 768 ALA 68 769 PRO 69 770 SER 70 771 ALA
71 772 THR 72 773 ALA 73 774 PRO 74 775 SER 75 776 PRO
76 777 VAL 77 778 GLY 78 779 ALA 79 780 GLY 80 781 THR
81 782 ALA 82 783 ALA 83 784 PRO 84 785 ALA 85 786 PRO
86 787 SER 87 788 GLN 88 789 THR 89 790 PRO 90 791 GLY
91 792 SER 92 793 ALA 93 794 PRO 94 795 PRO 95 796 PRO
96 797 GLN 97 798 ALA 98 799 GLN 99 800 GLY 100 801 TRP
101 802 SER 102 803 HIS 103 804 PRO 104 805 GLN 105 806 PHE
106 807 GLU 107 808 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
UniProt Q8WUM4 'apoptosis-linked gene-2 interacting protein X' . . . . .
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$ALIX 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
$ALIX 'recombinant technology' . Escherichia coli . pet11a
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
$ALIX 1.5 mM '[U-100% 13C; U-100% 15N]'
D2O 7 % '[U-100% 2H]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 50 mM 'natural abundance'
EDTA 2 mM 'natural abundance'
TCEP 1 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CCPN
_Saveframe_category software
_Name CCPN
_Version .
loop_
_Vendor
_Address
_Electronic_address
CCPN . .
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 800
_Details .
save_
save_spectrometer_2
_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_HNCACB_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HN(CA)CO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_Sample_label $sample_1
save_
save_3D_(HACA)N(CA)CON_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D (HACA)N(CA)CON'
_Sample_label $sample_1
save_
save_2D_CON_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D CON'
_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' 50 . mM
pH 6.5 . pH
pressure 1 . atm
temperature 273 . 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 4.7 internal indirect . other . 0.251449530
water H 1 protons ppm 4.7 internal direct . other . 1.000000000
water N 15 protons ppm 4.7 internal indirect . other . 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 'TROSY offset'
loop_
_Software_label
$CCPN
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCACB'
'3D (HACA)N(CA)CON'
'2D CON'
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 ALIX
_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
1 703 2 ASP C C 176.494 0.000 .
2 703 2 ASP CA C 54.586 0.000 .
3 703 2 ASP CB C 40.996 0.000 .
4 703 2 ASP N N 121.838 0.000 .
5 704 3 GLU H H 8.711 0.000 .
6 704 3 GLU C C 176.822 0.000 .
7 704 3 GLU CA C 57.503 0.000 .
8 704 3 GLU CB C 29.329 0.000 .
9 704 3 GLU N N 122.401 0.051 .
10 705 4 LEU H H 8.154 0.000 .
11 705 4 LEU C C 177.620 0.000 .
12 705 4 LEU CA C 55.448 0.000 .
13 705 4 LEU CB C 41.924 0.000 .
14 705 4 LEU N N 122.918 0.012 .
15 706 5 LEU H H 7.950 0.000 .
16 706 5 LEU C C 177.629 0.000 .
17 706 5 LEU CA C 55.382 0.000 .
18 706 5 LEU CB C 41.858 0.000 .
19 706 5 LEU N N 122.743 0.028 .
20 707 6 LYS H H 7.983 0.000 .
21 707 6 LYS C C 176.598 0.000 .
22 707 6 LYS CA C 56.840 0.000 .
23 707 6 LYS CB C 32.842 0.000 .
24 707 6 LYS N N 121.980 0.014 .
25 708 7 ASP H H 8.123 0.000 .
26 708 7 ASP C C 176.687 0.000 .
27 708 7 ASP CA C 54.586 0.000 .
28 708 7 ASP CB C 40.863 0.000 .
29 708 7 ASP N N 121.077 0.022 .
30 709 8 LEU H H 8.007 0.000 .
31 709 8 LEU C C 177.976 0.000 .
32 709 8 LEU CA C 55.686 0.000 .
33 709 8 LEU CB C 42.016 0.000 .
34 709 8 LEU N N 122.992 0.010 .
35 710 9 GLN H H 8.205 0.000 .
36 710 9 GLN C C 176.457 0.000 .
37 710 9 GLN CA C 56.310 0.000 .
38 710 9 GLN CB C 28.798 0.000 .
39 710 9 GLN N N 120.569 0.043 .
40 711 10 GLN H H 8.135 0.000 .
41 711 10 GLN C C 176.252 0.000 .
42 711 10 GLN CA C 56.243 0.000 .
43 711 10 GLN CB C 29.130 0.000 .
44 711 10 GLN N N 120.937 0.013 .
45 712 11 SER H H 8.177 0.000 .
46 712 11 SER C C 174.616 0.000 .
47 712 11 SER CA C 58.564 0.000 .
48 712 11 SER CB C 63.668 0.000 .
49 712 11 SER N N 117.339 0.015 .
50 713 12 ILE H H 7.913 0.000 .
51 713 12 ILE C C 175.977 0.000 .
52 713 12 ILE CA C 61.149 0.000 .
53 713 12 ILE CB C 38.676 0.000 .
54 713 12 ILE N N 122.763 0.000 .
55 714 13 ALA H H 8.155 0.000 .
56 714 13 ALA C C 177.424 0.000 .
57 714 13 ALA CA C 52.398 0.000 .
58 714 13 ALA CB C 18.921 0.000 .
59 714 13 ALA N N 128.442 0.016 .
60 715 14 ARG H H 8.104 0.000 .
61 715 14 ARG C C 176.136 0.000 .
62 715 14 ARG CA C 55.713 0.000 .
63 715 14 ARG CB C 30.920 0.000 .
64 715 14 ARG N N 121.331 0.035 .
65 716 15 GLU H H 8.311 0.000 .
66 716 15 GLU C C 174.813 0.000 .
67 716 15 GLU CA C 54.443 0.000 .
68 716 15 GLU CB C 29.395 0.000 .
69 716 15 GLU N N 124.220 0.022 .
70 717 16 PRO C C 177.029 0.000 .
71 717 16 PRO CA C 63.151 0.000 .
72 717 16 PRO N N 137.886 0.000 .
73 718 17 SER H H 8.220 0.000 .
74 718 17 SER C C 173.943 0.000 .
75 718 17 SER CA C 58.100 0.000 .
76 718 17 SER CB C 63.867 0.000 .
77 718 17 SER N N 116.363 0.017 .
78 719 18 ALA H H 8.130 0.000 .
79 719 18 ALA C C 175.494 0.000 .
80 719 18 ALA CA C 50.476 0.000 .
81 719 18 ALA CB C 18.125 0.000 .
82 719 18 ALA N N 127.614 0.008 .
83 720 19 PRO C C 176.976 0.000 .
84 720 19 PRO CA C 62.997 0.000 .
85 720 19 PRO CB C 31.987 0.000 .
86 720 19 PRO N N 136.307 0.000 .
87 721 20 SER H H 8.275 0.000 .
88 721 20 SER C C 174.255 0.000 .
89 721 20 SER CA C 58.100 0.000 .
90 721 20 SER CB C 63.734 0.000 .
91 721 20 SER N N 116.989 0.033 .
92 722 21 ILE H H 8.006 0.000 .
93 722 21 ILE C C 174.607 0.000 .
94 722 21 ILE CA C 58.497 0.000 .
95 722 21 ILE CB C 38.742 0.000 .
96 722 21 ILE N N 124.519 0.040 .
97 723 22 PRO C C 176.797 0.000 .
98 723 22 PRO CA C 63.138 0.000 .
99 723 22 PRO CB C 31.914 0.000 .
100 723 22 PRO N N 140.346 0.000 .
101 724 23 THR H H 8.135 0.000 .
102 724 23 THR C C 173.103 0.000 .
103 724 23 THR CA C 60.022 0.000 .
104 724 23 THR CB C 69.833 0.000 .
105 724 23 THR N N 118.076 0.021 .
106 725 24 PRO C C 176.659 0.000 .
107 725 24 PRO CA C 63.204 0.000 .
108 725 24 PRO CB C 31.914 0.000 .
109 725 24 PRO N N 139.859 0.000 .
110 726 25 ALA H H 8.204 0.000 .
111 726 25 ALA C C 177.634 0.000 .
112 726 25 ALA CA C 52.531 0.000 .
113 726 25 ALA CB C 18.921 0.000 .
114 726 25 ALA N N 124.699 0.022 .
115 727 26 TYR H H 7.890 0.000 .
116 727 26 TYR C C 175.733 0.000 .
117 727 26 TYR CA C 57.768 0.000 .
118 727 26 TYR CB C 38.543 0.000 .
119 727 26 TYR N N 119.474 0.030 .
120 728 27 GLN H H 8.035 0.000 .
121 728 27 GLN C C 175.489 0.000 .
122 728 27 GLN CA C 55.647 0.000 .
123 728 27 GLN CB C 29.594 0.000 .
124 728 27 GLN N N 122.945 0.010 .
125 729 28 SER C C 174.262 0.000 .
126 729 28 SER CA C 58.328 0.000 .
127 729 28 SER CB C 63.760 0.000 .
128 729 28 SER N N 117.948 0.000 .
129 730 29 SER H H 8.189 0.000 .
130 730 29 SER C C 172.909 0.000 .
131 730 29 SER CA C 56.352 0.000 .
132 730 29 SER CB C 63.486 0.000 .
133 730 29 SER N N 119.155 0.018 .
134 731 30 PRO C C 177.020 0.000 .
135 731 30 PRO CA C 63.469 0.000 .
136 731 30 PRO N N 138.939 0.000 .
137 732 31 ALA H H 8.259 0.000 .
138 732 31 ALA C C 178.466 0.000 .
139 732 31 ALA CA C 52.660 0.000 .
140 732 31 ALA CB C 18.854 0.000 .
141 732 31 ALA N N 124.802 0.006 .
142 733 32 GLY H H 8.209 0.000 .
143 733 32 GLY C C 174.809 0.000 .
144 733 32 GLY CA C 45.242 0.000 .
145 733 32 GLY N N 108.794 0.000 .
146 734 33 GLY H H 8.064 0.000 .
147 734 33 GLY C C 173.895 0.000 .
148 734 33 GLY CA C 45.106 0.000 .
149 734 33 GLY N N 108.912 0.003 .
150 735 34 HIS C C 174.507 0.000 .
151 735 34 HIS CA C 55.504 0.000 .
152 735 34 HIS CB C 30.232 0.000 .
153 735 34 HIS N N 119.275 0.000 .
154 736 35 ALA H H 8.239 0.000 .
155 736 35 ALA C C 175.426 0.000 .
156 736 35 ALA CA C 50.511 0.000 .
157 736 35 ALA CB C 17.964 0.000 .
158 736 35 ALA N N 127.599 0.016 .
159 737 36 PRO C C 176.873 0.000 .
160 737 36 PRO CA C 62.873 0.000 .
161 737 36 PRO CB C 31.781 0.000 .
162 737 36 PRO N N 136.268 0.000 .
163 738 37 THR H H 8.191 0.000 .
164 738 37 THR C C 172.620 0.000 .
165 738 37 THR CA C 59.889 0.000 .
166 738 37 THR CB C 69.833 0.000 .
167 738 37 THR N N 118.222 0.000 .
168 739 38 PRO C C 174.821 0.000 .
169 739 38 PRO N N 141.415 0.000 .
170 740 39 PRO C C 176.887 0.000 .
171 740 39 PRO CA C 62.740 0.000 .
172 740 39 PRO CB C 31.848 0.000 .
173 740 39 PRO N N 136.071 0.000 .
174 741 40 THR H H 8.137 0.000 .
175 741 40 THR C C 172.952 0.000 .
176 741 40 THR CA C 59.823 0.000 .
177 741 40 THR CB C 69.833 0.000 .
178 741 40 THR N N 117.875 0.037 .
179 742 41 PRO C C 176.349 0.000 .
180 742 41 PRO CA C 62.939 0.000 .
181 742 41 PRO CB C 31.980 0.000 .
182 742 41 PRO N N 139.913 0.000 .
183 743 42 ALA H H 8.257 0.000 .
184 743 42 ALA C C 175.721 0.000 .
185 743 42 ALA CA C 50.410 0.000 .
186 743 42 ALA CB C 17.727 0.000 .
187 743 42 ALA N N 126.642 0.006 .
188 744 43 PRO C C 176.982 0.000 .
189 744 43 PRO CA C 63.005 0.000 .
190 744 43 PRO CB C 31.914 0.000 .
191 744 43 PRO N N 136.415 0.000 .
192 745 44 ARG H H 8.342 0.000 .
193 745 44 ARG C C 176.559 0.000 .
194 745 44 ARG CA C 56.111 0.000 .
195 745 44 ARG CB C 30.654 0.000 .
196 745 44 ARG N N 121.945 0.023 .
197 746 45 THR H H 8.061 0.000 .
198 746 45 THR C C 174.256 0.000 .
199 746 45 THR CA C 61.746 0.000 .
200 746 45 THR CB C 69.966 0.000 .
201 746 45 THR N N 116.509 0.011 .
202 747 46 MET H H 8.314 0.000 .
203 747 46 MET C C 173.814 0.000 .
204 747 46 MET CA C 53.061 0.000 .
205 747 46 MET CB C 32.215 0.000 .
206 747 46 MET N N 125.131 0.002 .
207 748 47 PRO C C 174.789 0.000 .
208 748 47 PRO N N 139.098 0.000 .
209 749 48 PRO C C 177.179 0.000 .
210 749 48 PRO CA C 62.873 0.000 .
211 749 48 PRO CB C 31.781 0.000 .
212 749 48 PRO N N 135.800 0.000 .
213 750 49 THR H H 8.098 0.000 .
214 750 49 THR C C 174.412 0.000 .
215 750 49 THR CA C 61.812 0.000 .
216 750 49 THR CB C 69.966 0.000 .
217 750 49 THR N N 115.626 0.021 .
218 751 50 LYS H H 8.203 0.000 .
219 751 50 LYS C C 174.378 0.000 .
220 751 50 LYS CA C 54.122 0.000 .
221 751 50 LYS CB C 32.511 0.000 .
222 751 50 LYS N N 125.699 0.010 .
223 752 51 PRO C C 176.747 0.000 .
224 752 51 PRO CA C 62.939 0.000 .
225 752 51 PRO CB C 31.848 0.000 .
226 752 51 PRO N N 137.802 0.000 .
227 753 52 GLN H H 8.377 0.000 .
228 753 52 GLN C C 173.796 0.000 .
229 753 52 GLN CA C 53.459 0.000 .
230 753 52 GLN CB C 28.931 0.000 .
231 753 52 GLN N N 122.809 0.038 .
232 754 53 PRO C C 174.654 0.000 .
233 754 53 PRO N N 139.435 0.000 .
234 755 54 PRO C C 176.633 0.000 .
235 755 54 PRO CA C 62.740 0.000 .
236 755 54 PRO CB C 31.848 0.000 .
237 755 54 PRO N N 136.005 0.000 .
238 756 55 ALA H H 8.248 0.000 .
239 756 55 ALA C C 177.617 0.000 .
240 756 55 ALA CA C 52.332 0.000 .
241 756 55 ALA CB C 19.053 0.000 .
242 756 55 ALA N N 125.097 0.001 .
243 757 56 ARG H H 8.161 0.000 .
244 757 56 ARG C C 173.838 0.000 .
245 757 56 ARG CA C 53.525 0.000 .
246 757 56 ARG CB C 30.190 0.000 .
247 757 56 ARG N N 121.937 0.000 .
248 758 57 PRO N N 139.172 0.000 .
249 759 58 PRO C C 174.305 0.000 .
250 759 58 PRO N N 137.481 0.000 .
251 760 59 PRO C C 174.822 0.000 .
252 760 59 PRO N N 137.306 0.000 .
253 761 60 PRO C C 176.764 0.000 .
254 761 60 PRO CA C 62.873 0.000 .
255 761 60 PRO CB C 31.914 0.000 .
256 761 60 PRO N N 135.495 0.000 .
257 762 61 VAL H H 8.041 0.000 .
258 762 61 VAL C C 176.068 0.000 .
259 762 61 VAL CA C 62.210 0.000 .
260 762 61 VAL CB C 32.511 0.000 .
261 762 61 VAL N N 121.331 0.034 .
262 763 62 LEU H H 8.252 0.000 .
263 763 62 LEU C C 175.216 0.000 .
264 763 62 LEU CA C 52.730 0.000 .
265 763 62 LEU CB C 41.659 0.000 .
266 763 62 LEU N N 128.673 0.004 .
267 764 63 PRO C C 176.898 0.000 .
268 764 63 PRO CA C 63.109 0.000 .
269 764 63 PRO CB C 31.848 0.000 .
270 764 63 PRO N N 136.600 0.000 .
271 765 64 ALA H H 8.237 0.000 .
272 765 64 ALA C C 177.788 0.000 .
273 765 64 ALA CA C 52.655 0.000 .
274 765 64 ALA CB C 18.921 0.000 .
275 765 64 ALA N N 124.358 0.039 .
276 766 65 ASN H H 8.217 0.000 .
277 766 65 ASN C C 175.079 0.000 .
278 766 65 ASN CA C 52.995 0.000 .
279 766 65 ASN CB C 38.610 0.000 .
280 766 65 ASN N N 117.767 0.039 .
281 767 66 ARG H H 8.026 0.000 .
282 767 66 ARG C C 175.569 0.000 .
283 767 66 ARG CA C 55.647 0.000 .
284 767 66 ARG CB C 30.721 0.000 .
285 767 66 ARG N N 121.820 0.034 .
286 768 67 ALA H H 8.188 0.000 .
287 768 67 ALA C C 175.708 0.000 .
288 768 67 ALA CA C 50.530 0.000 .
289 768 67 ALA CB C 17.916 0.000 .
290 768 67 ALA N N 127.370 0.030 .
291 769 68 PRO C C 177.140 0.000 .
292 769 68 PRO CA C 63.151 0.000 .
293 769 68 PRO CB C 31.910 0.000 .
294 769 68 PRO N N 136.398 0.000 .
295 770 69 SER H H 8.199 0.000 .
296 770 69 SER C C 174.526 0.000 .
297 770 69 SER CA C 58.214 0.000 .
298 770 69 SER CB C 63.923 0.000 .
299 770 69 SER N N 116.236 0.044 .
300 771 70 ALA H H 8.273 0.000 .
301 771 70 ALA C C 177.894 0.000 .
302 771 70 ALA CA C 52.597 0.000 .
303 771 70 ALA CB C 19.186 0.000 .
304 771 70 ALA N N 126.768 0.003 .
305 772 71 THR H H 7.967 0.000 .
306 772 71 THR C C 174.050 0.000 .
307 772 71 THR CA C 61.613 0.000 .
308 772 71 THR CB C 69.900 0.000 .
309 772 71 THR N N 113.785 0.016 .
310 773 72 ALA H H 8.118 0.000 .
311 773 72 ALA C C 175.389 0.000 .
312 773 72 ALA CA C 50.410 0.000 .
313 773 72 ALA CB C 18.125 0.000 .
314 773 72 ALA N N 128.675 0.001 .
315 774 73 PRO C C 176.851 0.000 .
316 774 73 PRO CB C 31.848 0.000 .
317 774 73 PRO N N 136.222 0.000 .
318 775 74 SER H H 8.278 0.000 .
319 775 74 SER C C 173.085 0.000 .
320 775 74 SER CA C 56.376 0.000 .
321 775 74 SER CB C 63.469 0.000 .
322 775 74 SER N N 118.189 0.015 .
323 776 75 PRO C C 177.088 0.000 .
324 776 75 PRO CA C 63.303 0.000 .
325 776 75 PRO CB C 31.887 0.000 .
326 776 75 PRO N N 138.739 0.000 .
327 777 76 VAL H H 8.053 0.000 .
328 777 76 VAL C C 176.960 0.000 .
329 777 76 VAL CA C 62.543 0.000 .
330 777 76 VAL CB C 32.472 0.000 .
331 777 76 VAL N N 120.728 0.039 .
332 778 77 GLY H H 8.315 0.000 .
333 778 77 GLY C C 174.039 0.000 .
334 778 77 GLY CA C 45.173 0.000 .
335 778 77 GLY N N 113.220 0.032 .
336 779 78 ALA H H 8.110 0.000 .
337 779 78 ALA C C 178.463 0.000 .
338 779 78 ALA CA C 52.597 0.000 .
339 779 78 ALA CB C 19.186 0.000 .
340 779 78 ALA N N 124.640 0.027 .
341 780 79 GLY H H 8.335 0.000 .
342 780 79 GLY C C 174.510 0.000 .
343 780 79 GLY CA C 45.239 0.000 .
344 780 79 GLY N N 108.849 0.013 .
345 781 80 THR H H 7.893 0.000 .
346 781 80 THR C C 174.315 0.000 .
347 781 80 THR CA C 61.679 0.000 .
348 781 80 THR CB C 69.966 0.000 .
349 781 80 THR N N 114.300 0.020 .
350 782 81 ALA H H 8.188 0.000 .
351 782 81 ALA C C 177.015 0.000 .
352 782 81 ALA CA C 52.132 0.000 .
353 782 81 ALA CB C 19.126 0.000 .
354 782 81 ALA N N 127.349 0.010 .
355 783 82 ALA H H 8.127 0.000 .
356 783 82 ALA C C 175.477 0.000 .
357 783 82 ALA CA C 50.277 0.000 .
358 783 82 ALA CB C 17.926 0.000 .
359 783 82 ALA N N 125.740 0.006 .
360 784 83 PRO C C 176.433 0.000 .
361 784 83 PRO CA C 62.757 0.000 .
362 784 83 PRO CB C 31.816 0.000 .
363 784 83 PRO N N 136.291 0.000 .
364 785 84 ALA H H 8.257 0.000 .
365 785 84 ALA C C 175.857 0.000 .
366 785 84 ALA CA C 50.356 0.000 .
367 785 84 ALA CB C 17.903 0.000 .
368 785 84 ALA N N 126.323 0.024 .
369 786 85 PRO C C 177.147 0.000 .
370 786 85 PRO CA C 63.087 0.000 .
371 786 85 PRO CB C 31.860 0.000 .
372 786 85 PRO N N 136.337 0.000 .
373 787 86 SER H H 8.238 0.000 .
374 787 86 SER C C 174.655 0.000 .
375 787 86 SER CA C 58.418 0.000 .
376 787 86 SER CB C 63.814 0.000 .
377 787 86 SER N N 116.299 0.000 .
378 788 87 GLN H H 8.293 0.000 .
379 788 87 GLN C C 175.930 0.000 .
380 788 87 GLN CA C 55.647 0.000 .
381 788 87 GLN CB C 29.461 0.000 .
382 788 87 GLN N N 122.707 0.071 .
383 789 88 THR H H 8.173 0.000 .
384 789 88 THR C C 173.086 0.000 .
385 789 88 THR CA C 59.889 0.000 .
386 789 88 THR CB C 69.634 0.000 .
387 789 88 THR N N 118.634 0.041 .
388 790 89 PRO C C 177.650 0.000 .
389 790 89 PRO CA C 63.668 0.000 .
390 790 89 PRO CB C 31.914 0.000 .
391 790 89 PRO N N 140.201 0.000 .
392 791 90 GLY H H 8.418 0.000 .
393 791 90 GLY C C 174.304 0.000 .
394 791 90 GLY CA C 45.173 0.000 .
395 791 90 GLY N N 110.453 0.025 .
396 792 91 SER H H 7.968 0.000 .
397 792 91 SER C C 173.873 0.000 .
398 792 91 SER CA C 58.100 0.000 .
399 792 91 SER CB C 64.066 0.000 .
400 792 91 SER N N 116.057 0.030 .
401 793 92 ALA H H 8.166 0.000 .
402 793 92 ALA C C 175.020 0.000 .
403 793 92 ALA CA C 50.457 0.000 .
404 793 92 ALA CB C 18.094 0.000 .
405 793 92 ALA N N 127.612 0.010 .
406 794 93 PRO C C 174.346 0.000 .
407 794 93 PRO N N 137.816 0.000 .
408 795 94 PRO C C 174.944 0.000 .
409 795 94 PRO N N 137.194 0.000 .
410 796 95 PRO C C 177.170 0.000 .
411 796 95 PRO CA C 63.138 0.000 .
412 796 95 PRO CB C 31.848 0.000 .
413 796 95 PRO N N 135.727 0.000 .
414 797 96 GLN H H 8.253 0.000 .
415 797 96 GLN C C 175.949 0.000 .
416 797 96 GLN CA C 55.779 0.000 .
417 797 96 GLN CB C 29.262 0.000 .
418 797 96 GLN N N 120.561 0.058 .
419 798 97 ALA H H 8.176 0.000 .
420 798 97 ALA C C 177.723 0.000 .
421 798 97 ALA CA C 52.521 0.000 .
422 798 97 ALA CB C 18.976 0.000 .
423 798 97 ALA N N 125.870 0.006 .
424 799 98 GLN H H 8.197 0.000 .
425 799 98 GLN C C 176.605 0.000 .
426 799 98 GLN CA C 56.045 0.000 .
427 799 98 GLN CB C 29.130 0.000 .
428 799 98 GLN N N 120.043 0.022 .
429 800 99 GLY H H 8.235 0.000 .
430 800 99 GLY C C 173.898 0.000 .
431 800 99 GLY CA C 45.305 0.000 .
432 800 99 GLY N N 110.544 0.013 .
433 801 100 TRP H H 7.821 0.000 .
434 801 100 TRP C C 176.236 0.000 .
435 801 100 TRP CA C 57.238 0.000 .
436 801 100 TRP CB C 29.527 0.000 .
437 801 100 TRP N N 121.211 0.024 .
438 802 101 SER H H 7.910 0.000 .
439 802 101 SER C C 173.472 0.000 .
440 802 101 SER CA C 57.967 0.000 .
441 802 101 SER CB C 63.867 0.000 .
442 802 101 SER N N 118.050 0.007 .
443 803 102 HIS H H 7.996 0.000 .
444 803 102 HIS C C 173.104 0.000 .
445 803 102 HIS CA C 54.122 0.000 .
446 803 102 HIS CB C 29.464 0.000 .
447 803 102 HIS N N 122.338 0.009 .
448 804 103 PRO C C 176.871 0.000 .
449 804 103 PRO CA C 63.337 0.000 .
450 804 103 PRO CB C 31.914 0.000 .
451 804 103 PRO N N 138.190 0.000 .
452 805 104 GLN H H 8.473 0.000 .
453 805 104 GLN C C 175.684 0.000 .
454 805 104 GLN CA C 55.978 0.000 .
455 805 104 GLN CB C 29.262 0.000 .
456 805 104 GLN N N 121.265 0.042 .
457 806 105 PHE H H 8.028 0.000 .
458 806 105 PHE C C 175.539 0.000 .
459 806 105 PHE CA C 57.304 0.000 .
460 806 105 PHE CB C 39.604 0.000 .
461 806 105 PHE N N 120.992 0.017 .
462 807 106 GLU H H 8.197 0.000 .
463 807 106 GLU C C 175.242 0.000 .
464 807 106 GLU CA C 56.509 0.000 .
465 807 106 GLU CB C 30.389 0.000 .
466 807 106 GLU N N 123.366 0.044 .
467 808 107 LYS H H 7.764 0.000 .
468 808 107 LYS C C 171.040 0.000 .
469 808 107 LYS CA C 57.675 0.000 .
470 808 107 LYS CB C 33.550 0.000 .
471 808 107 LYS N N 127.709 0.004 .
stop_
save_