data_18878
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the Hs. PSIP1 PWWP domain
;
_BMRB_accession_number 18878
_BMRB_flat_file_name bmr18878.str
_Entry_type original
_Submission_date 2012-12-06
_Accession_date 2012-12-06
_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 'van Ingen' Hugo . .
2 'Van nuland' R. . .
3 Timmers H. T.M. .
4 Boelens R. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 591
"13C chemical shifts" 408
"15N chemical shifts" 90
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2013-06-04 original author .
stop_
_Original_release_date 2013-06-04
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Nucleosomal DNA binding drives the recognition of H3K36-methylated nucleosomes by the PSIP1-PWWP domain.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 23656834
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 'van Nuland' Rick . .
2 'van Schaik' 'Frederik Ma' . .
3 Simonis Marieke . .
4 'van Heesch' Sebastiaan . .
5 Cuppen Edwin . .
6 Boelens Rolf . .
7 Timmers 'Ht Marc' . .
8 'van Ingen' Hugo . .
stop_
_Journal_abbreviation 'Epigenetics Chromatin'
_Journal_name_full 'Epigenetics & chromatin'
_Journal_volume 6
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 12
_Page_last 12
_Year 2013
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Solution structure of the Hs. PSIP1 PWWP domain'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'PC4 AND SFRS1-INTERACTING PROTEIN' $PC4_AND_SFRS1-INTERACTING_PROTEIN
stop_
_System_molecular_weight 11890.6105
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_PC4_AND_SFRS1-INTERACTING_PROTEIN
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common PC4_AND_SFRS1-INTERACTING_PROTEIN
_Molecular_mass 11890.6105
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 105
_Mol_residue_sequence
;
GSHMAMARDFKPGDLIFAKM
KGYPHWPARVDEVPDGAVKP
PTNKLPIFFFGTHETAFLGP
KDIFPYSENKEKYGKPNKRK
GFNEGLWEIDNNPKVKFSSQ
QAATK
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -4 GLY 2 -3 SER 3 -2 HIS 4 -1 MET 5 0 ALA
6 1 MET 7 2 ALA 8 3 ARG 9 4 ASP 10 5 PHE
11 6 LYS 12 7 PRO 13 8 GLY 14 9 ASP 15 10 LEU
16 11 ILE 17 12 PHE 18 13 ALA 19 14 LYS 20 15 MET
21 16 LYS 22 17 GLY 23 18 TYR 24 19 PRO 25 20 HIS
26 21 TRP 27 22 PRO 28 23 ALA 29 24 ARG 30 25 VAL
31 26 ASP 32 27 GLU 33 28 VAL 34 29 PRO 35 30 ASP
36 31 GLY 37 32 ALA 38 33 VAL 39 34 LYS 40 35 PRO
41 36 PRO 42 37 THR 43 38 ASN 44 39 LYS 45 40 LEU
46 41 PRO 47 42 ILE 48 43 PHE 49 44 PHE 50 45 PHE
51 46 GLY 52 47 THR 53 48 HIS 54 49 GLU 55 50 THR
56 51 ALA 57 52 PHE 58 53 LEU 59 54 GLY 60 55 PRO
61 56 LYS 62 57 ASP 63 58 ILE 64 59 PHE 65 60 PRO
66 61 TYR 67 62 SER 68 63 GLU 69 64 ASN 70 65 LYS
71 66 GLU 72 67 LYS 73 68 TYR 74 69 GLY 75 70 LYS
76 71 PRO 77 72 ASN 78 73 LYS 79 74 ARG 80 75 LYS
81 76 GLY 82 77 PHE 83 78 ASN 84 79 GLU 85 80 GLY
86 81 LEU 87 82 TRP 88 83 GLU 89 84 ILE 90 85 ASP
91 86 ASN 92 87 ASN 93 88 PRO 94 89 LYS 95 90 VAL
96 91 LYS 97 92 PHE 98 93 SER 99 94 SER 100 95 GLN
101 96 GLN 102 97 ALA 103 98 ALA 104 99 THR 105 100 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-08-19
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
BMRB 18478 entity 89.52 97 97.87 98.94 8.96e-60
PDB 2M16 "P75/ledgf Pwwp Domain" 89.52 97 97.87 98.94 8.96e-60
PDB 3ZEH "Solution Structure Of The Hs. Psip1 Pwwp Domain" 100.00 105 100.00 100.00 6.05e-70
PDB 4FU6 "Crystal Structure Of The Psip1 Pwwp Domain" 97.14 153 97.06 97.06 2.22e-66
DBJ BAB27707 "unnamed protein product [Mus musculus]" 95.24 147 98.00 99.00 3.06e-66
DBJ BAE24079 "unnamed protein product [Mus musculus]" 95.24 248 98.00 99.00 3.91e-66
DBJ BAE36388 "unnamed protein product [Mus musculus]" 95.24 229 98.00 99.00 4.56e-66
DBJ BAE41251 "unnamed protein product [Mus musculus]" 95.24 236 98.00 99.00 4.16e-66
DBJ BAJ78791 "supercoiled DNA binding protein 75 [Rattus norvegicus]" 95.24 528 97.00 98.00 8.11e-65
EMBL CAC34944 "lens epithelium-derived growth factor [Mus musculus]" 95.24 528 98.00 99.00 4.21e-65
EMBL CAC34945 "transcriptional co-activator p52 [Mus musculus]" 95.24 331 98.00 99.00 4.01e-66
GB AAC25167 "lens epithelium-derived growth factor [Homo sapiens]" 95.24 530 99.00 99.00 6.06e-66
GB AAC97945 "transcriptional coactivator p52 [Homo sapiens]" 95.24 333 99.00 99.00 8.49e-67
GB AAC97946 "transcriptional coactivator p75 [Homo sapiens]" 95.24 530 99.00 99.00 7.65e-66
GB AAF25870 "lens epithelium-derived growth factor p75 [Homo sapiens]" 95.24 530 99.00 99.00 6.06e-66
GB AAF25871 "lens epithelium-derived growth factor p52 [Homo sapiens]" 95.24 333 99.00 99.00 6.99e-67
REF NP_001009372 "PC4 and SFRS1-interacting protein [Felis catus]" 95.24 530 98.00 99.00 1.02e-65
REF NP_001075982 "PC4 and SFRS1-interacting protein [Equus caballus]" 95.24 530 98.00 99.00 1.38e-65
REF NP_001121689 "PC4 and SFRS1-interacting protein isoform 2 [Homo sapiens]" 95.24 530 99.00 99.00 6.06e-66
REF NP_001137364 "PC4 and SFRS1-interacting protein [Ovis aries]" 95.24 530 97.00 98.00 7.20e-65
REF NP_001193405 "PC4 and SFRS1-interacting protein [Bos taurus]" 95.24 530 97.00 98.00 9.19e-65
SP O75475 "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=CLL-associated antigen KW-7; AltName: Full=Dense fine speckles 7" 95.24 530 99.00 99.00 6.06e-66
SP Q66T72 "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=LEDGF/p75; AltName: Full=Lens epithelium-derived growth factor; " 95.24 530 98.00 99.00 1.02e-65
SP Q812D1 "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=Lens epithelium-derived growth factor" 95.24 528 97.00 98.00 8.83e-65
SP Q8MJG1 "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=Lens epithelium-derived growth factor" 95.24 530 97.00 98.00 9.19e-65
SP Q99JF8 "RecName: Full=PC4 and SFRS1-interacting protein; AltName: Full=Lens epithelium-derived growth factor; Short=mLEDGF" 95.24 528 98.00 99.00 4.21e-65
TPG DAA26946 "TPA: PC4 and SFRS1 interacting protein 1 [Bos taurus]" 95.24 482 97.00 98.00 4.61e-65
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$PC4_AND_SFRS1-INTERACTING_PROTEIN 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_type
_Vector_name
$PC4_AND_SFRS1-INTERACTING_PROTEIN 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 n/a n/a
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '0.5 mM'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$PC4_AND_SFRS1-INTERACTING_PROTEIN 0.5 mM '[U-13C; U-15N]'
NaPi 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_AutoDep
_Saveframe_category software
_Name AutoDep
_Version 4.3
loop_
_Vendor
_Address
_Electronic_address
PDBe . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version any
loop_
_Vendor
_Address
_Electronic_address
BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details 'refinement in explicit water using RECOORD protocol'
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version any
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version any
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_Bruker_Avance-750
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 750
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_triple_resonance_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 'triple resonance'
_Sample_label $sample_1
save_
save_13C/15N_edited_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C/15N edited NOESY'
_Sample_label $sample_1
save_
save_NMR_spectrometer_expt
_Saveframe_category NMR_applied_experiment
_Experiment_name .
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details 'pH [6.0], temp [298], pressure [1], ionStrength [100.0]'
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 100.000 . mM
pH 6.000 . pH
pressure 1.000 . atm
temperature 298.000 . 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
HDO C 13 'water protons' ppm 4.7 internal indirect . . . 0.25144953
HDO H 1 'water protons' ppm 4.7 internal indirect . . . 1
HDO N 15 'water protons' ppm 4.7 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
_Saveframe_category assigned_chemical_shifts
_Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zeh/ebi/PWWP-1-93-3L.str.csh'
loop_
_Experiment_label
'triple resonance'
'13C/15N edited NOESY'
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 'PC4 AND SFRS1-INTERACTING PROTEIN'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 6 MET H H 8.380 0.002 1
2 1 6 MET HA H 4.494 0.004 1
3 1 6 MET HB2 H 2.106 0.002 2
4 1 6 MET HB3 H 1.972 0.003 2
5 1 6 MET HG2 H 2.612 0.003 2
6 1 6 MET HG3 H 2.543 0.003 2
7 1 6 MET C C 176.058 0.000 1
8 1 6 MET CA C 55.047 0.027 1
9 1 6 MET CB C 33.594 0.031 1
10 1 6 MET CG C 32.036 0.068 1
11 1 6 MET N N 119.767 0.016 1
12 2 7 ALA H H 8.453 0.005 1
13 2 7 ALA HA H 4.234 0.003 1
14 2 7 ALA HB H 1.364 0.002 1
15 2 7 ALA C C 177.471 0.000 1
16 2 7 ALA CA C 53.134 0.013 1
17 2 7 ALA CB C 18.976 0.040 1
18 2 7 ALA N N 125.517 0.032 1
19 3 8 ARG H H 8.102 0.001 1
20 3 8 ARG HA H 4.211 0.003 1
21 3 8 ARG HB2 H 1.618 0.001 2
22 3 8 ARG HB3 H 1.618 0.001 2
23 3 8 ARG HG2 H 1.386 0.003 2
24 3 8 ARG HG3 H 1.386 0.003 2
25 3 8 ARG HD2 H 3.079 0.002 2
26 3 8 ARG HD3 H 3.079 0.002 2
27 3 8 ARG C C 175.034 0.000 1
28 3 8 ARG CA C 55.607 0.017 1
29 3 8 ARG CB C 30.681 0.042 1
30 3 8 ARG CG C 26.603 0.020 1
31 3 8 ARG CD C 43.385 0.016 1
32 3 8 ARG N N 118.571 0.029 1
33 4 9 ASP H H 8.098 0.002 1
34 4 9 ASP HA H 4.565 0.003 1
35 4 9 ASP HB2 H 2.552 0.003 2
36 4 9 ASP HB3 H 2.430 0.004 2
37 4 9 ASP C C 175.408 0.000 1
38 4 9 ASP CA C 53.915 0.033 1
39 4 9 ASP CB C 41.399 0.038 1
40 4 9 ASP N N 121.876 0.019 1
41 5 10 PHE H H 8.122 0.003 1
42 5 10 PHE HA H 4.696 0.003 1
43 5 10 PHE HB2 H 2.724 0.001 2
44 5 10 PHE HB3 H 2.972 0.002 2
45 5 10 PHE HD1 H 7.289 0.005 3
46 5 10 PHE HD2 H 7.289 0.005 3
47 5 10 PHE HE1 H 7.149 0.005 3
48 5 10 PHE HE2 H 7.149 0.005 3
49 5 10 PHE HZ H 7.070 0.002 1
50 5 10 PHE C C 174.824 0.000 1
51 5 10 PHE CA C 58.352 0.027 1
52 5 10 PHE CB C 41.510 0.050 1
53 5 10 PHE CD1 C 132.132 0.085 3
54 5 10 PHE CE1 C 131.230 0.029 3
55 5 10 PHE N N 120.016 0.041 1
56 6 11 LYS H H 9.077 0.005 1
57 6 11 LYS HA H 4.849 0.003 1
58 6 11 LYS HB2 H 1.733 0.001 2
59 6 11 LYS HB3 H 1.733 0.001 2
60 6 11 LYS HG2 H 1.486 0.002 2
61 6 11 LYS HG3 H 1.389 0.000 2
62 6 11 LYS HD2 H 1.681 0.001 2
63 6 11 LYS HD3 H 1.681 0.001 2
64 6 11 LYS HE2 H 3.018 0.000 2
65 6 11 LYS HE3 H 3.018 0.000 2
66 6 11 LYS CA C 53.059 0.042 1
67 6 11 LYS CB C 33.448 0.029 1
68 6 11 LYS CG C 23.936 0.046 1
69 6 11 LYS CD C 28.948 0.029 1
70 6 11 LYS CE C 42.235 0.046 1
71 6 11 LYS N N 123.076 0.025 1
72 7 12 PRO HA H 3.931 0.002 1
73 7 12 PRO HB2 H 1.863 0.002 2
74 7 12 PRO HB3 H 2.040 0.000 2
75 7 12 PRO HG2 H 2.179 0.001 2
76 7 12 PRO HG3 H 1.952 0.001 2
77 7 12 PRO HD2 H 3.567 0.002 2
78 7 12 PRO HD3 H 3.872 0.002 2
79 7 12 PRO C C 177.525 0.000 1
80 7 12 PRO CA C 63.821 0.053 1
81 7 12 PRO CB C 31.623 0.019 1
82 7 12 PRO CG C 28.113 0.032 1
83 7 12 PRO CD C 50.565 0.047 1
84 8 13 GLY H H 9.655 0.002 1
85 8 13 GLY HA2 H 4.422 0.007 2
86 8 13 GLY HA3 H 3.341 0.003 2
87 8 13 GLY C C 174.517 0.000 1
88 8 13 GLY CA C 44.656 0.026 1
89 8 13 GLY N N 115.337 0.031 1
90 9 14 ASP H H 8.284 0.004 1
91 9 14 ASP HA H 4.588 0.002 1
92 9 14 ASP HB2 H 2.961 0.000 2
93 9 14 ASP HB3 H 2.679 0.000 2
94 9 14 ASP C C 175.290 0.000 1
95 9 14 ASP CA C 55.863 0.018 1
96 9 14 ASP CB C 41.081 0.114 1
97 9 14 ASP N N 122.257 0.023 1
98 10 15 LEU H H 8.608 0.003 1
99 10 15 LEU HA H 4.967 0.006 1
100 10 15 LEU HB2 H 1.126 0.004 2
101 10 15 LEU HB3 H 1.999 0.005 2
102 10 15 LEU HG H 2.030 0.003 1
103 10 15 LEU HD1 H 1.019 0.003 2
104 10 15 LEU HD2 H 0.894 0.003 2
105 10 15 LEU C C 177.993 0.000 1
106 10 15 LEU CA C 54.260 0.064 1
107 10 15 LEU CB C 41.236 0.042 1
108 10 15 LEU CG C 26.468 0.048 1
109 10 15 LEU CD1 C 21.788 0.067 2
110 10 15 LEU CD2 C 25.147 0.085 2
111 10 15 LEU N N 121.332 0.029 1
112 11 16 ILE H H 8.829 0.006 1
113 11 16 ILE HA H 5.329 0.002 1
114 11 16 ILE HB H 1.981 0.003 1
115 11 16 ILE HG12 H 0.840 0.008 2
116 11 16 ILE HG13 H 0.687 0.006 2
117 11 16 ILE HG2 H 0.576 0.004 1
118 11 16 ILE HD1 H 0.498 0.003 1
119 11 16 ILE C C 175.513 0.000 1
120 11 16 ILE CA C 60.443 0.045 1
121 11 16 ILE CB C 44.036 0.033 1
122 11 16 ILE CG1 C 26.177 0.040 1
123 11 16 ILE CG2 C 19.055 0.048 1
124 11 16 ILE CD1 C 16.242 0.056 1
125 11 16 ILE N N 118.692 0.057 1
126 12 17 PHE H H 9.374 0.002 1
127 12 17 PHE HA H 5.287 0.003 1
128 12 17 PHE HB2 H 2.713 0.006 2
129 12 17 PHE HB3 H 2.713 0.006 2
130 12 17 PHE HD1 H 7.085 0.005 3
131 12 17 PHE HD2 H 7.085 0.005 3
132 12 17 PHE HE1 H 7.212 0.008 3
133 12 17 PHE HE2 H 7.212 0.008 3
134 12 17 PHE HZ H 7.053 0.001 1
135 12 17 PHE C C 175.232 0.000 1
136 12 17 PHE CA C 58.544 0.076 1
137 12 17 PHE CB C 43.314 0.072 1
138 12 17 PHE CD1 C 129.384 0.000 3
139 12 17 PHE CZ C 128.977 0.037 1
140 12 17 PHE N N 112.493 0.022 1
141 13 18 ALA H H 9.626 0.004 1
142 13 18 ALA HA H 5.353 0.003 1
143 13 18 ALA HB H 1.025 0.002 1
144 13 18 ALA C C 177.054 0.000 1
145 13 18 ALA CA C 50.003 0.020 1
146 13 18 ALA CB C 23.701 0.075 1
147 13 18 ALA N N 123.845 0.014 1
148 14 19 LYS H H 9.399 0.009 1
149 14 19 LYS HA H 4.684 0.006 1
150 14 19 LYS HB2 H 0.998 0.008 2
151 14 19 LYS HB3 H 2.270 0.002 2
152 14 19 LYS HG2 H 1.137 0.003 2
153 14 19 LYS HG3 H 1.052 0.001 2
154 14 19 LYS HD2 H 1.435 0.004 2
155 14 19 LYS HD3 H 0.025 0.007 2
156 14 19 LYS HE2 H 2.712 0.003 2
157 14 19 LYS HE3 H 3.024 0.001 2
158 14 19 LYS C C 172.980 0.000 1
159 14 19 LYS CA C 53.972 0.073 1
160 14 19 LYS CB C 35.248 0.070 1
161 14 19 LYS CG C 24.599 0.071 1
162 14 19 LYS CD C 27.838 0.051 1
163 14 19 LYS CE C 43.319 0.044 1
164 14 19 LYS N N 127.683 0.108 1
165 15 20 MET H H 8.689 0.003 1
166 15 20 MET HA H 4.640 0.004 1
167 15 20 MET HB2 H 1.711 0.004 2
168 15 20 MET HB3 H 1.895 0.004 2
169 15 20 MET HG2 H 2.263 0.003 2
170 15 20 MET HG3 H 2.162 0.003 2
171 15 20 MET HE H 1.220 0.002 1
172 15 20 MET C C 175.747 0.000 1
173 15 20 MET CA C 53.566 0.032 1
174 15 20 MET CB C 35.769 0.048 1
175 15 20 MET CG C 31.760 0.053 1
176 15 20 MET CE C 15.912 0.027 1
177 15 20 MET N N 126.097 0.033 1
178 16 21 LYS H H 8.622 0.002 1
179 16 21 LYS HA H 4.051 0.004 1
180 16 21 LYS HB2 H 1.742 0.000 2
181 16 21 LYS HB3 H 1.802 0.002 2
182 16 21 LYS HG2 H 1.501 0.001 2
183 16 21 LYS HG3 H 1.360 0.000 2
184 16 21 LYS HD2 H 1.698 0.000 2
185 16 21 LYS HD3 H 1.698 0.000 2
186 16 21 LYS C C 177.813 0.000 1
187 16 21 LYS CA C 58.516 0.044 1
188 16 21 LYS CB C 32.054 0.077 1
189 16 21 LYS CG C 24.754 0.049 1
190 16 21 LYS CD C 29.389 0.002 1
191 16 21 LYS CE C 42.139 0.026 1
192 16 21 LYS N N 124.087 0.050 1
193 17 22 GLY H H 8.994 0.015 1
194 17 22 GLY HA2 H 4.061 0.009 2
195 17 22 GLY HA3 H 3.618 0.003 2
196 17 22 GLY C C 173.807 0.000 1
197 17 22 GLY CA C 45.201 0.047 1
198 17 22 GLY N N 113.435 0.060 1
199 18 23 TYR H H 8.099 0.006 1
200 18 23 TYR HA H 4.933 0.004 1
201 18 23 TYR HB2 H 3.211 0.001 2
202 18 23 TYR HB3 H 2.937 0.001 2
203 18 23 TYR HD1 H 6.959 0.006 3
204 18 23 TYR HD2 H 6.959 0.006 3
205 18 23 TYR HE1 H 6.616 0.002 3
206 18 23 TYR HE2 H 6.616 0.002 3
207 18 23 TYR CA C 55.700 0.043 1
208 18 23 TYR CB C 40.746 0.067 1
209 18 23 TYR CD1 C 132.755 0.000 3
210 18 23 TYR CE1 C 118.202 0.003 3
211 18 23 TYR N N 120.158 0.055 1
212 19 24 PRO HA H 4.745 0.003 1
213 19 24 PRO HB2 H 1.990 0.001 2
214 19 24 PRO HB3 H 2.311 0.001 2
215 19 24 PRO HG2 H 1.869 0.000 2
216 19 24 PRO HG3 H 2.144 0.000 2
217 19 24 PRO HD2 H 4.026 0.005 2
218 19 24 PRO HD3 H 3.895 0.003 2
219 19 24 PRO C C 176.874 0.000 1
220 19 24 PRO CA C 62.071 0.044 1
221 19 24 PRO CB C 31.863 0.046 1
222 19 24 PRO CG C 26.975 0.043 1
223 19 24 PRO CD C 49.872 0.084 1
224 20 25 HIS H H 8.146 0.004 1
225 20 25 HIS HA H 3.916 0.001 1
226 20 25 HIS HB2 H 2.389 0.001 2
227 20 25 HIS HB3 H 1.977 0.000 2
228 20 25 HIS HD2 H 5.617 0.003 1
229 20 25 HIS HE1 H 7.579 0.005 1
230 20 25 HIS C C 175.919 0.000 1
231 20 25 HIS CA C 60.688 0.041 1
232 20 25 HIS CB C 30.698 0.054 1
233 20 25 HIS CD2 C 116.494 0.021 1
234 20 25 HIS CE1 C 138.399 0.037 1
235 20 25 HIS N N 119.115 0.052 1
236 21 26 TRP H H 9.200 0.010 1
237 21 26 TRP HA H 5.433 0.002 1
238 21 26 TRP HB2 H 3.940 0.004 2
239 21 26 TRP HB3 H 3.645 0.002 2
240 21 26 TRP HD1 H 8.522 0.005 1
241 21 26 TRP HE1 H 10.704 0.001 1
242 21 26 TRP HE3 H 8.130 0.005 1
243 21 26 TRP HZ2 H 7.386 0.003 1
244 21 26 TRP HZ3 H 7.105 0.006 1
245 21 26 TRP HH2 H 7.398 0.004 1
246 21 26 TRP CA C 55.901 0.029 1
247 21 26 TRP CB C 33.005 0.073 1
248 21 26 TRP CD1 C 129.418 0.051 1
249 21 26 TRP CE3 C 120.835 0.003 1
250 21 26 TRP CZ2 C 115.196 0.023 1
251 21 26 TRP CZ3 C 120.583 0.017 1
252 21 26 TRP CH2 C 124.789 0.046 1
253 21 26 TRP N N 127.387 0.011 1
254 21 26 TRP NE1 N 129.770 0.011 1
255 22 27 PRO HA H 4.233 0.004 1
256 22 27 PRO HB2 H 1.619 0.001 2
257 22 27 PRO HB3 H 2.303 0.000 2
258 22 27 PRO HG2 H 1.228 0.003 2
259 22 27 PRO HG3 H 1.806 0.003 2
260 22 27 PRO HD2 H 2.895 0.005 2
261 22 27 PRO HD3 H 2.736 0.002 2
262 22 27 PRO C C 175.223 0.000 1
263 22 27 PRO CA C 62.850 0.034 1
264 22 27 PRO CB C 32.220 0.034 1
265 22 27 PRO CG C 27.052 0.054 1
266 22 27 PRO CD C 51.251 0.032 1
267 23 28 ALA H H 9.365 0.003 1
268 23 28 ALA HA H 4.966 0.004 1
269 23 28 ALA HB H 0.830 0.004 1
270 23 28 ALA C C 174.260 0.000 1
271 23 28 ALA CA C 52.507 0.030 1
272 23 28 ALA CB C 23.250 0.066 1
273 23 28 ALA N N 130.173 0.011 1
274 24 29 ARG H H 8.784 0.002 1
275 24 29 ARG HA H 5.416 0.003 1
276 24 29 ARG HB2 H 1.617 0.005 2
277 24 29 ARG HB3 H 1.556 0.004 2
278 24 29 ARG HG2 H 1.416 0.001 2
279 24 29 ARG HG3 H 1.242 0.008 2
280 24 29 ARG HD2 H 3.116 0.002 2
281 24 29 ARG HD3 H 3.003 0.008 2
282 24 29 ARG C C 175.098 0.000 1
283 24 29 ARG CA C 53.634 0.038 1
284 24 29 ARG CB C 35.026 0.033 1
285 24 29 ARG CG C 27.117 0.051 1
286 24 29 ARG CD C 43.353 0.082 1
287 24 29 ARG N N 117.222 0.030 1
288 25 30 VAL H H 8.387 0.006 1
289 25 30 VAL HA H 4.076 0.002 1
290 25 30 VAL HB H 2.226 0.005 1
291 25 30 VAL HG1 H 0.746 0.002 2
292 25 30 VAL HG2 H 0.824 0.002 2
293 25 30 VAL C C 175.495 0.000 1
294 25 30 VAL CA C 62.920 0.071 1
295 25 30 VAL CB C 31.055 0.056 1
296 25 30 VAL CG1 C 21.794 0.014 2
297 25 30 VAL CG2 C 21.764 0.036 2
298 25 30 VAL N N 124.130 0.033 1
299 26 31 ASP H H 8.902 0.005 1
300 26 31 ASP HA H 5.193 0.003 1
301 26 31 ASP HB2 H 2.188 0.003 2
302 26 31 ASP HB3 H 2.697 0.002 2
303 26 31 ASP C C 175.151 0.000 1
304 26 31 ASP CA C 52.994 0.084 1
305 26 31 ASP CB C 44.217 0.081 1
306 26 31 ASP N N 133.915 0.024 1
307 27 32 GLU H H 7.924 0.002 1
308 27 32 GLU HA H 4.415 0.004 1
309 27 32 GLU HB2 H 1.745 0.003 2
310 27 32 GLU HB3 H 1.913 0.004 2
311 27 32 GLU HG2 H 2.150 0.003 2
312 27 32 GLU HG3 H 2.150 0.003 2
313 27 32 GLU C C 176.220 0.000 1
314 27 32 GLU CA C 55.358 0.086 1
315 27 32 GLU CB C 31.687 0.041 1
316 27 32 GLU CG C 36.218 0.020 1
317 27 32 GLU N N 116.001 0.029 1
318 28 33 VAL H H 8.693 0.007 1
319 28 33 VAL HA H 4.284 0.003 1
320 28 33 VAL HB H 2.104 0.003 1
321 28 33 VAL HG1 H 1.046 0.007 2
322 28 33 VAL HG2 H 1.042 0.000 2
323 28 33 VAL CA C 60.367 0.041 1
324 28 33 VAL CB C 32.306 0.035 1
325 28 33 VAL CG1 C 21.462 0.060 2
326 28 33 VAL CG2 C 21.619 0.000 2
327 28 33 VAL N N 122.766 0.043 1
328 29 34 PRO HA H 4.430 0.002 1
329 29 34 PRO HB2 H 2.304 0.002 2
330 29 34 PRO HB3 H 1.901 0.002 2
331 29 34 PRO HG2 H 1.999 0.000 2
332 29 34 PRO HG3 H 1.999 0.000 2
333 29 34 PRO HD2 H 3.878 0.003 2
334 29 34 PRO HD3 H 3.627 0.002 2
335 29 34 PRO C C 176.500 0.000 1
336 29 34 PRO CA C 62.818 0.038 1
337 29 34 PRO CB C 32.410 0.027 1
338 29 34 PRO CG C 27.403 0.041 1
339 29 34 PRO CD C 51.058 0.073 1
340 30 35 ASP H H 8.454 0.005 1
341 30 35 ASP HA H 4.424 0.002 1
342 30 35 ASP HB2 H 2.607 0.003 2
343 30 35 ASP HB3 H 2.607 0.003 2
344 30 35 ASP C C 177.323 0.000 1
345 30 35 ASP CA C 55.693 0.045 1
346 30 35 ASP CB C 40.952 0.022 1
347 30 35 ASP N N 120.999 0.042 1
348 31 36 GLY H H 8.542 0.004 1
349 31 36 GLY HA2 H 3.776 0.007 2
350 31 36 GLY HA3 H 4.094 0.003 2
351 31 36 GLY C C 174.035 0.000 1
352 31 36 GLY CA C 45.397 0.049 1
353 31 36 GLY N N 111.604 0.050 1
354 32 37 ALA H H 7.815 0.006 1
355 32 37 ALA HA H 4.389 0.003 1
356 32 37 ALA HB H 1.421 0.001 1
357 32 37 ALA C C 177.608 0.000 1
358 32 37 ALA CA C 51.971 0.020 1
359 32 37 ALA CB C 19.909 0.024 1
360 32 37 ALA N N 122.909 0.012 1
361 33 38 VAL H H 8.023 0.005 1
362 33 38 VAL HA H 3.913 0.004 1
363 33 38 VAL HB H 2.001 0.003 1
364 33 38 VAL HG1 H 0.962 0.001 2
365 33 38 VAL HG2 H 0.944 0.003 2
366 33 38 VAL C C 175.521 0.000 1
367 33 38 VAL CA C 62.767 0.034 1
368 33 38 VAL CB C 32.323 0.033 1
369 33 38 VAL CG1 C 21.119 0.022 2
370 33 38 VAL CG2 C 21.188 0.039 2
371 33 38 VAL N N 119.620 0.057 1
372 34 39 LYS H H 8.286 0.002 1
373 34 39 LYS HA H 4.405 0.002 1
374 34 39 LYS HB2 H 1.652 0.004 2
375 34 39 LYS HB3 H 1.766 0.004 2
376 34 39 LYS HG2 H 1.506 0.000 2
377 34 39 LYS HG3 H 1.438 0.000 2
378 34 39 LYS HD2 H 1.659 0.000 2
379 34 39 LYS HD3 H 1.659 0.000 2
380 34 39 LYS HE2 H 2.998 0.000 2
381 34 39 LYS HE3 H 2.998 0.000 2
382 34 39 LYS CA C 54.248 0.070 1
383 34 39 LYS CB C 32.042 0.061 1
384 34 39 LYS CG C 24.860 0.007 1
385 34 39 LYS CD C 29.066 0.009 1
386 34 39 LYS CE C 42.255 0.031 1
387 34 39 LYS N N 125.740 0.034 1
388 35 40 PRO HA H 3.961 0.000 1
389 35 40 PRO HB2 H 1.716 0.002 2
390 35 40 PRO HB3 H 1.629 0.000 2
391 35 40 PRO HG2 H 1.753 0.000 2
392 35 40 PRO HG3 H 1.984 0.000 2
393 35 40 PRO HD2 H 3.595 0.000 2
394 35 40 PRO HD3 H 3.666 0.001 2
395 35 40 PRO CA C 60.950 0.011 1
396 35 40 PRO CB C 30.379 0.026 1
397 35 40 PRO CG C 27.268 0.021 1
398 35 40 PRO CD C 50.357 0.043 1
399 36 41 PRO HA H 4.373 0.004 1
400 36 41 PRO HB2 H 1.649 0.002 2
401 36 41 PRO HB3 H 2.255 0.001 2
402 36 41 PRO HG2 H 1.711 0.001 2
403 36 41 PRO HG3 H 1.810 0.002 2
404 36 41 PRO HD2 H 3.201 0.003 2
405 36 41 PRO HD3 H 2.668 0.003 2
406 36 41 PRO C C 175.972 0.000 1
407 36 41 PRO CA C 62.379 0.040 1
408 36 41 PRO CB C 32.010 0.052 1
409 36 41 PRO CG C 27.456 0.035 1
410 36 41 PRO CD C 49.901 0.034 1
411 37 42 THR H H 8.080 0.003 1
412 37 42 THR HA H 3.956 0.003 1
413 37 42 THR HB H 4.029 0.003 1
414 37 42 THR HG2 H 1.219 0.004 1
415 37 42 THR C C 174.709 0.000 1
416 37 42 THR CA C 63.620 0.088 1
417 37 42 THR CB C 69.360 0.032 1
418 37 42 THR CG2 C 21.843 0.058 1
419 37 42 THR N N 113.992 0.039 1
420 38 43 ASN H H 8.747 0.004 1
421 38 43 ASN HA H 4.500 0.004 1
422 38 43 ASN HB2 H 2.994 0.003 2
423 38 43 ASN HB3 H 2.994 0.003 2
424 38 43 ASN HD21 H 7.596 0.002 2
425 38 43 ASN HD22 H 6.901 0.001 2
426 38 43 ASN C C 174.279 0.000 1
427 38 43 ASN CA C 53.993 0.020 1
428 38 43 ASN CB C 37.649 0.017 1
429 38 43 ASN N N 118.640 0.040 1
430 38 43 ASN ND2 N 112.301 0.037 1
431 39 44 LYS H H 7.700 0.002 1
432 39 44 LYS HA H 4.697 0.004 1
433 39 44 LYS HB2 H 1.443 0.003 2
434 39 44 LYS HB3 H 1.562 0.003 2
435 39 44 LYS HG2 H 1.099 0.002 2
436 39 44 LYS HG3 H 1.348 0.003 2
437 39 44 LYS HD2 H 1.307 0.004 2
438 39 44 LYS HD3 H 1.454 0.001 2
439 39 44 LYS HE2 H 2.922 0.003 2
440 39 44 LYS HE3 H 2.922 0.003 2
441 39 44 LYS C C 174.492 0.000 1
442 39 44 LYS CA C 54.909 0.045 1
443 39 44 LYS CB C 36.538 0.052 1
444 39 44 LYS CG C 25.662 0.079 1
445 39 44 LYS CD C 29.335 0.037 1
446 39 44 LYS CE C 42.445 0.057 1
447 39 44 LYS N N 115.958 0.040 1
448 40 45 LEU H H 9.054 0.005 1
449 40 45 LEU HA H 4.972 0.003 1
450 40 45 LEU HB2 H 1.467 0.003 2
451 40 45 LEU HB3 H 1.276 0.003 2
452 40 45 LEU HG H 1.600 0.001 1
453 40 45 LEU HD1 H 0.917 0.002 2
454 40 45 LEU HD2 H 0.811 0.002 2
455 40 45 LEU CA C 51.929 0.053 1
456 40 45 LEU CB C 44.395 0.032 1
457 40 45 LEU CG C 27.817 0.051 1
458 40 45 LEU CD1 C 24.402 0.029 2
459 40 45 LEU CD2 C 25.859 0.055 2
460 40 45 LEU N N 121.113 0.033 1
461 41 46 PRO HA H 4.376 0.004 1
462 41 46 PRO HB2 H 1.858 0.001 2
463 41 46 PRO HB3 H 1.858 0.001 2
464 41 46 PRO HG2 H 2.286 0.002 2
465 41 46 PRO HG3 H 1.825 0.002 2
466 41 46 PRO HD2 H 3.712 0.002 2
467 41 46 PRO HD3 H 3.831 0.003 2
468 41 46 PRO C C 174.433 0.000 1
469 41 46 PRO CA C 61.968 0.071 1
470 41 46 PRO CB C 30.604 0.034 1
471 41 46 PRO CG C 27.683 0.094 1
472 41 46 PRO CD C 50.098 0.053 1
473 42 47 ILE H H 8.895 0.004 1
474 42 47 ILE HA H 4.538 0.003 1
475 42 47 ILE HB H 1.755 0.005 1
476 42 47 ILE HG12 H 1.800 0.004 2
477 42 47 ILE HG13 H 0.795 0.004 2
478 42 47 ILE HG2 H 0.002 0.004 1
479 42 47 ILE HD1 H 0.373 0.003 1
480 42 47 ILE C C 174.485 0.000 1
481 42 47 ILE CA C 57.074 0.046 1
482 42 47 ILE CB C 37.355 0.054 1
483 42 47 ILE CG1 C 27.444 0.080 1
484 42 47 ILE CG2 C 19.871 0.046 1
485 42 47 ILE CD1 C 10.564 0.055 1
486 42 47 ILE N N 126.130 0.027 1
487 43 48 PHE H H 8.731 0.004 1
488 43 48 PHE HA H 4.817 0.001 1
489 43 48 PHE HB2 H 2.445 0.003 2
490 43 48 PHE HB3 H 2.853 0.001 2
491 43 48 PHE HD1 H 6.371 0.003 3
492 43 48 PHE HD2 H 6.371 0.003 3
493 43 48 PHE HE1 H 6.882 0.005 3
494 43 48 PHE HE2 H 6.882 0.005 3
495 43 48 PHE HZ H 6.566 0.004 1
496 43 48 PHE C C 173.604 0.000 1
497 43 48 PHE CA C 56.018 0.049 1
498 43 48 PHE CB C 41.212 0.026 1
499 43 48 PHE CD1 C 132.084 0.030 3
500 43 48 PHE CE1 C 130.302 0.017 3
501 43 48 PHE CZ C 127.877 0.000 1
502 43 48 PHE N N 128.195 0.031 1
503 44 49 PHE H H 8.546 0.007 1
504 44 49 PHE HA H 4.186 0.001 1
505 44 49 PHE HB2 H 2.393 0.000 2
506 44 49 PHE HB3 H 2.393 0.000 2
507 44 49 PHE HD1 H 6.795 0.006 3
508 44 49 PHE HD2 H 6.795 0.006 3
509 44 49 PHE HE1 H 6.814 0.005 3
510 44 49 PHE HE2 H 6.814 0.005 3
511 44 49 PHE HZ H 6.730 0.003 1
512 44 49 PHE C C 175.694 0.000 1
513 44 49 PHE CA C 57.357 0.017 1
514 44 49 PHE CB C 38.938 0.075 1
515 44 49 PHE CD1 C 131.526 0.083 3
516 44 49 PHE CE1 C 130.267 0.001 3
517 44 49 PHE CZ C 128.484 0.001 1
518 44 49 PHE N N 126.082 0.019 1
519 45 50 PHE H H 8.598 0.004 1
520 45 50 PHE HA H 4.435 0.004 1
521 45 50 PHE HB2 H 3.923 0.005 2
522 45 50 PHE HB3 H 2.532 0.005 2
523 45 50 PHE HD1 H 7.398 0.004 3
524 45 50 PHE HD2 H 7.398 0.004 3
525 45 50 PHE HE1 H 7.298 0.003 3
526 45 50 PHE HE2 H 7.298 0.003 3
527 45 50 PHE HZ H 7.503 0.007 1
528 45 50 PHE C C 177.496 0.000 1
529 45 50 PHE CA C 60.300 0.031 1
530 45 50 PHE CB C 39.735 0.032 1
531 45 50 PHE CZ C 129.678 0.005 1
532 45 50 PHE N N 122.181 0.015 1
533 46 51 GLY H H 10.220 0.004 1
534 46 51 GLY HA2 H 2.995 0.005 2
535 46 51 GLY HA3 H 5.239 0.005 2
536 46 51 GLY C C 175.736 0.000 1
537 46 51 GLY CA C 46.824 0.016 1
538 46 51 GLY N N 113.884 0.015 1
539 47 52 THR H H 7.849 0.005 1
540 47 52 THR HA H 3.952 0.002 1
541 47 52 THR HB H 3.964 0.004 1
542 47 52 THR HG2 H 1.174 0.004 1
543 47 52 THR C C 176.039 0.000 1
544 47 52 THR CA C 62.087 0.022 1
545 47 52 THR CB C 68.317 0.055 1
546 47 52 THR CG2 C 23.461 0.030 1
547 47 52 THR N N 111.359 0.029 1
548 48 53 HIS H H 7.733 0.002 1
549 48 53 HIS HA H 3.710 0.003 1
550 48 53 HIS HB2 H 3.219 0.005 2
551 48 53 HIS HB3 H 3.552 0.003 2
552 48 53 HIS HD2 H 7.061 0.005 1
553 48 53 HIS HE1 H 8.532 0.004 1
554 48 53 HIS C C 173.468 0.000 1
555 48 53 HIS CA C 54.671 0.039 1
556 48 53 HIS CB C 26.001 0.048 1
557 48 53 HIS CD2 C 117.214 0.060 1
558 48 53 HIS CE1 C 135.960 0.000 1
559 48 53 HIS N N 114.833 0.043 1
560 49 54 GLU H H 6.740 0.005 1
561 49 54 GLU HA H 4.304 0.006 1
562 49 54 GLU HB2 H 1.334 0.003 2
563 49 54 GLU HB3 H 1.713 0.003 2
564 49 54 GLU HG2 H 1.935 0.003 2
565 49 54 GLU HG3 H 1.935 0.003 2
566 49 54 GLU C C 174.527 0.000 1
567 49 54 GLU CA C 55.399 0.082 1
568 49 54 GLU CB C 31.564 0.038 1
569 49 54 GLU CG C 36.362 0.014 1
570 49 54 GLU N N 117.550 0.033 1
571 50 55 THR H H 8.145 0.002 1
572 50 55 THR HA H 5.632 0.006 1
573 50 55 THR HB H 4.003 0.003 1
574 50 55 THR HG2 H 1.064 0.000 1
575 50 55 THR C C 174.198 0.000 1
576 50 55 THR CA C 59.947 0.012 1
577 50 55 THR CB C 71.748 0.038 1
578 50 55 THR CG2 C 21.471 0.005 1
579 50 55 THR N N 111.505 0.060 1
580 51 56 ALA H H 8.771 0.005 1
581 51 56 ALA HA H 4.387 0.004 1
582 51 56 ALA HB H 1.252 0.002 1
583 51 56 ALA C C 174.888 0.000 1
584 51 56 ALA CA C 51.019 0.055 1
585 51 56 ALA CB C 23.260 0.036 1
586 51 56 ALA N N 124.743 0.036 1
587 52 57 PHE H H 8.516 0.006 1
588 52 57 PHE HA H 5.662 0.005 1
589 52 57 PHE HB2 H 2.939 0.005 2
590 52 57 PHE HB3 H 2.610 0.004 2
591 52 57 PHE HD1 H 7.053 0.004 3
592 52 57 PHE HD2 H 7.053 0.004 3
593 52 57 PHE HE1 H 7.243 0.012 3
594 52 57 PHE HE2 H 7.243 0.012 3
595 52 57 PHE C C 175.547 0.000 1
596 52 57 PHE CA C 55.972 0.064 1
597 52 57 PHE CB C 39.964 0.117 1
598 52 57 PHE CD1 C 131.346 0.024 3
599 52 57 PHE CE1 C 131.594 0.000 3
600 52 57 PHE N N 118.078 0.014 1
601 53 58 LEU H H 8.551 0.003 1
602 53 58 LEU HA H 4.921 0.003 1
603 53 58 LEU HB2 H 1.397 0.003 2
604 53 58 LEU HB3 H 1.780 0.003 2
605 53 58 LEU HG H 1.544 0.002 1
606 53 58 LEU HD1 H 0.827 0.005 2
607 53 58 LEU HD2 H 1.023 0.002 2
608 53 58 LEU C C 175.895 0.000 1
609 53 58 LEU CA C 53.488 0.019 1
610 53 58 LEU CB C 46.585 0.031 1
611 53 58 LEU CG C 27.785 0.052 1
612 53 58 LEU CD1 C 26.153 0.056 2
613 53 58 LEU CD2 C 24.290 0.032 2
614 53 58 LEU N N 123.435 0.049 1
615 54 59 GLY H H 9.320 0.004 1
616 54 59 GLY HA2 H 4.763 0.005 2
617 54 59 GLY HA3 H 3.906 0.003 2
618 54 59 GLY CA C 43.972 0.039 1
619 54 59 GLY N N 108.538 0.017 1
620 55 60 PRO HA H 4.034 0.002 1
621 55 60 PRO HB2 H 2.047 0.005 2
622 55 60 PRO HB3 H 2.351 0.005 2
623 55 60 PRO HG2 H 2.125 0.004 2
624 55 60 PRO HG3 H 2.011 0.003 2
625 55 60 PRO HD2 H 3.637 0.004 2
626 55 60 PRO HD3 H 3.821 0.004 2
627 55 60 PRO C C 177.727 0.000 1
628 55 60 PRO CA C 64.831 0.044 1
629 55 60 PRO CB C 32.191 0.047 1
630 55 60 PRO CG C 27.793 0.056 1
631 55 60 PRO CD C 50.211 0.036 1
632 56 61 LYS H H 8.317 0.004 1
633 56 61 LYS HA H 4.183 0.004 1
634 56 61 LYS HB2 H 1.845 0.004 2
635 56 61 LYS HB3 H 1.845 0.004 2
636 56 61 LYS HG2 H 1.451 0.003 2
637 56 61 LYS HG3 H 1.389 0.002 2
638 56 61 LYS HE2 H 3.023 0.000 2
639 56 61 LYS HE3 H 3.023 0.000 2
640 56 61 LYS C C 176.620 0.000 1
641 56 61 LYS CA C 57.834 0.064 1
642 56 61 LYS CB C 31.647 0.049 1
643 56 61 LYS CG C 24.842 0.021 1
644 56 61 LYS N N 115.286 0.025 1
645 57 62 ASP H H 7.752 0.003 1
646 57 62 ASP HA H 4.980 0.005 1
647 57 62 ASP HB2 H 2.619 0.004 2
648 57 62 ASP HB3 H 3.674 0.004 2
649 57 62 ASP C C 173.345 0.000 1
650 57 62 ASP CA C 54.542 0.072 1
651 57 62 ASP CB C 43.677 0.035 1
652 57 62 ASP N N 117.929 0.026 1
653 58 63 ILE H H 6.798 0.004 1
654 58 63 ILE HA H 4.869 0.003 1
655 58 63 ILE HB H 1.325 0.003 1
656 58 63 ILE HG12 H 0.694 0.003 2
657 58 63 ILE HG13 H 0.973 0.004 2
658 58 63 ILE HG2 H 0.252 0.003 1
659 58 63 ILE HD1 H 0.042 0.003 1
660 58 63 ILE C C 173.411 0.000 1
661 58 63 ILE CA C 59.997 0.053 1
662 58 63 ILE CB C 40.579 0.161 1
663 58 63 ILE CG1 C 25.341 0.062 1
664 58 63 ILE CG2 C 18.132 0.057 1
665 58 63 ILE CD1 C 13.823 0.043 1
666 58 63 ILE N N 114.401 0.067 1
667 59 64 PHE H H 8.683 0.003 1
668 59 64 PHE HA H 5.174 0.004 1
669 59 64 PHE HB2 H 3.392 0.003 2
670 59 64 PHE HB3 H 2.938 0.002 2
671 59 64 PHE HD1 H 7.328 0.003 3
672 59 64 PHE HD2 H 7.328 0.003 3
673 59 64 PHE HE1 H 7.316 0.004 3
674 59 64 PHE HE2 H 7.316 0.004 3
675 59 64 PHE CA C 54.895 0.042 1
676 59 64 PHE CB C 41.999 0.064 1
677 59 64 PHE CD1 C 132.329 0.101 3
678 59 64 PHE CE1 C 131.535 0.032 3
679 59 64 PHE N N 119.594 0.049 1
680 60 65 PRO HA H 4.749 0.004 1
681 60 65 PRO HB2 H 2.350 0.001 2
682 60 65 PRO HB3 H 2.680 0.005 2
683 60 65 PRO HG2 H 2.266 0.006 2
684 60 65 PRO HG3 H 2.266 0.006 2
685 60 65 PRO HD2 H 4.155 0.003 2
686 60 65 PRO HD3 H 4.043 0.002 2
687 60 65 PRO C C 177.444 0.000 1
688 60 65 PRO CA C 64.235 0.082 1
689 60 65 PRO CB C 32.788 0.027 1
690 60 65 PRO CG C 28.474 0.047 1
691 60 65 PRO CD C 50.783 0.031 1
692 61 66 TYR H H 8.309 0.005 1
693 61 66 TYR HA H 4.491 0.002 1
694 61 66 TYR HB2 H 2.653 0.002 2
695 61 66 TYR HB3 H 2.762 0.004 2
696 61 66 TYR HD1 H 6.535 0.008 3
697 61 66 TYR HD2 H 6.535 0.008 3
698 61 66 TYR HE1 H 6.510 0.006 3
699 61 66 TYR HE2 H 6.510 0.006 3
700 61 66 TYR C C 177.561 0.000 1
701 61 66 TYR CA C 61.230 0.014 1
702 61 66 TYR CB C 38.777 0.057 1
703 61 66 TYR CD1 C 133.859 0.094 3
704 61 66 TYR CE1 C 118.146 0.044 3
705 61 66 TYR N N 124.195 0.026 1
706 62 67 SER H H 8.957 0.005 1
707 62 67 SER HA H 3.491 0.003 1
708 62 67 SER HB2 H 3.937 0.002 2
709 62 67 SER HB3 H 3.937 0.002 2
710 62 67 SER C C 177.779 0.000 1
711 62 67 SER CA C 63.000 0.077 1
712 62 67 SER CB C 62.206 0.039 1
713 62 67 SER N N 114.900 0.012 1
714 63 68 GLU H H 8.835 0.009 1
715 63 68 GLU HA H 4.185 0.001 1
716 63 68 GLU HB2 H 1.986 0.003 2
717 63 68 GLU HB3 H 2.055 0.003 2
718 63 68 GLU HG2 H 2.360 0.002 2
719 63 68 GLU HG3 H 2.279 0.002 2
720 63 68 GLU C C 176.528 0.000 1
721 63 68 GLU CA C 58.258 0.026 1
722 63 68 GLU CB C 30.200 0.034 1
723 63 68 GLU CG C 36.792 0.048 1
724 63 68 GLU N N 118.073 0.067 1
725 64 69 ASN H H 7.423 0.005 1
726 64 69 ASN HA H 4.996 0.003 1
727 64 69 ASN HB2 H 2.800 0.005 2
728 64 69 ASN HB3 H 2.800 0.005 2
729 64 69 ASN HD21 H 8.166 0.002 2
730 64 69 ASN HD22 H 8.818 0.006 2
731 64 69 ASN C C 174.882 0.000 1
732 64 69 ASN CA C 53.760 0.080 1
733 64 69 ASN CB C 41.978 0.084 1
734 64 69 ASN N N 113.936 0.016 1
735 64 69 ASN ND2 N 117.946 0.001 1
736 65 70 LYS H H 7.563 0.006 1
737 65 70 LYS HA H 3.785 0.003 1
738 65 70 LYS HB2 H 1.579 0.003 2
739 65 70 LYS HB3 H 1.579 0.003 2
740 65 70 LYS HG2 H 1.288 0.003 2
741 65 70 LYS HG3 H 1.288 0.003 2
742 65 70 LYS HD2 H 1.544 0.003 2
743 65 70 LYS HD3 H 1.544 0.003 2
744 65 70 LYS HE2 H 3.023 0.000 2
745 65 70 LYS HE3 H 2.964 0.000 2
746 65 70 LYS C C 178.149 0.000 1
747 65 70 LYS CA C 61.207 0.032 1
748 65 70 LYS CB C 32.162 0.033 1
749 65 70 LYS CG C 24.686 0.015 1
750 65 70 LYS CD C 29.699 0.025 1
751 65 70 LYS CE C 42.039 0.062 1
752 65 70 LYS N N 124.577 0.028 1
753 66 71 GLU H H 8.457 0.004 1
754 66 71 GLU HA H 3.987 0.002 1
755 66 71 GLU HB2 H 1.896 0.003 2
756 66 71 GLU HB3 H 1.896 0.003 2
757 66 71 GLU HG2 H 2.199 0.003 2
758 66 71 GLU HG3 H 2.169 0.006 2
759 66 71 GLU C C 176.894 0.000 1
760 66 71 GLU CA C 58.692 0.022 1
761 66 71 GLU CB C 28.823 0.052 1
762 66 71 GLU CG C 36.365 0.051 1
763 66 71 GLU N N 118.409 0.032 1
764 67 72 LYS H H 7.088 0.002 1
765 67 72 LYS HA H 3.834 0.003 1
766 67 72 LYS HB2 H 0.818 0.002 2
767 67 72 LYS HB3 H 1.147 0.002 2
768 67 72 LYS HG2 H 0.481 0.003 2
769 67 72 LYS HG3 H 0.818 0.002 2
770 67 72 LYS HD2 H 1.115 0.002 2
771 67 72 LYS HD3 H 1.202 0.003 2
772 67 72 LYS HE2 H 2.659 0.002 2
773 67 72 LYS HE3 H 2.659 0.002 2
774 67 72 LYS C C 178.069 0.000 1
775 67 72 LYS CA C 58.347 0.038 1
776 67 72 LYS CB C 33.020 0.032 1
777 67 72 LYS CG C 24.214 0.046 1
778 67 72 LYS CD C 29.229 0.047 1
779 67 72 LYS CE C 41.755 0.017 1
780 67 72 LYS N N 117.182 0.039 1
781 68 73 TYR H H 7.337 0.003 1
782 68 73 TYR HA H 4.775 0.009 1
783 68 73 TYR HB2 H 2.340 0.001 2
784 68 73 TYR HB3 H 0.542 0.000 2
785 68 73 TYR HD1 H 6.281 0.004 3
786 68 73 TYR HD2 H 6.281 0.004 3
787 68 73 TYR HE1 H 5.857 0.004 3
788 68 73 TYR HE2 H 5.857 0.004 3
789 68 73 TYR C C 177.029 0.000 1
790 68 73 TYR CA C 55.305 0.015 1
791 68 73 TYR CB C 37.288 0.089 1
792 68 73 TYR CD1 C 130.996 0.003 3
793 68 73 TYR CE1 C 117.150 0.004 3
794 68 73 TYR N N 112.362 0.020 1
795 69 74 GLY H H 8.050 0.004 1
796 69 74 GLY HA2 H 3.917 0.002 2
797 69 74 GLY HA3 H 4.563 0.006 2
798 69 74 GLY C C 173.505 0.000 1
799 69 74 GLY CA C 46.571 0.023 1
800 69 74 GLY N N 110.564 0.039 1
801 70 75 LYS H H 7.389 0.002 1
802 70 75 LYS HA H 4.690 0.002 1
803 70 75 LYS HB2 H 1.802 0.000 2
804 70 75 LYS HB3 H 1.676 0.002 2
805 70 75 LYS HG2 H 1.383 0.000 2
806 70 75 LYS HG3 H 1.383 0.000 2
807 70 75 LYS CA C 53.490 0.050 1
808 70 75 LYS CB C 32.588 0.157 1
809 70 75 LYS CG C 24.731 0.000 1
810 70 75 LYS CD C 29.029 0.000 1
811 70 75 LYS CE C 42.263 0.000 1
812 70 75 LYS N N 120.987 0.049 1
813 71 76 PRO HA H 4.549 0.004 1
814 71 76 PRO HB2 H 1.849 0.004 2
815 71 76 PRO HB3 H 2.364 0.001 2
816 71 76 PRO HG2 H 1.950 0.001 2
817 71 76 PRO HG3 H 2.029 0.000 2
818 71 76 PRO HD2 H 3.920 0.003 2
819 71 76 PRO HD3 H 3.599 0.005 2
820 71 76 PRO C C 176.117 0.000 1
821 71 76 PRO CA C 63.664 0.018 1
822 71 76 PRO CB C 32.708 0.053 1
823 71 76 PRO CG C 27.539 0.079 1
824 71 76 PRO CD C 50.599 0.042 1
825 72 77 ASN H H 8.671 0.002 1
826 72 77 ASN HA H 4.669 0.004 1
827 72 77 ASN HB2 H 2.107 0.003 2
828 72 77 ASN HB3 H 2.395 0.008 2
829 72 77 ASN HD21 H 6.980 0.001 2
830 72 77 ASN HD22 H 4.501 0.000 2
831 72 77 ASN C C 174.302 0.000 1
832 72 77 ASN CA C 52.976 0.026 1
833 72 77 ASN CB C 41.026 0.026 1
834 72 77 ASN N N 119.332 0.034 1
835 72 77 ASN ND2 N 110.710 0.067 1
836 73 78 LYS H H 8.292 0.004 1
837 73 78 LYS HA H 4.346 0.002 1
838 73 78 LYS HB2 H 1.742 0.003 2
839 73 78 LYS HB3 H 2.016 0.002 2
840 73 78 LYS HG2 H 1.440 0.000 2
841 73 78 LYS HG3 H 1.440 0.000 2
842 73 78 LYS HD2 H 1.672 0.000 2
843 73 78 LYS HD3 H 1.672 0.000 2
844 73 78 LYS HE2 H 2.991 0.000 2
845 73 78 LYS HE3 H 2.991 0.000 2
846 73 78 LYS C C 177.581 0.000 1
847 73 78 LYS CA C 56.568 0.032 1
848 73 78 LYS CB C 32.557 0.035 1
849 73 78 LYS CG C 24.943 0.015 1
850 73 78 LYS CD C 29.084 0.017 1
851 73 78 LYS CE C 42.132 0.015 1
852 73 78 LYS N N 118.453 0.029 1
853 74 79 ARG H H 8.841 0.004 1
854 74 79 ARG HA H 4.268 0.004 1
855 74 79 ARG HB2 H 2.051 0.002 2
856 74 79 ARG HB3 H 2.051 0.002 2
857 74 79 ARG HG2 H 1.743 0.001 2
858 74 79 ARG HG3 H 1.826 0.002 2
859 74 79 ARG HD2 H 3.383 0.002 2
860 74 79 ARG HD3 H 3.280 0.003 2
861 74 79 ARG C C 177.814 0.000 1
862 74 79 ARG CA C 55.956 0.030 1
863 74 79 ARG CB C 29.669 0.041 1
864 74 79 ARG CG C 27.982 0.065 1
865 74 79 ARG CD C 42.432 0.029 1
866 74 79 ARG N N 122.314 0.021 1
867 75 80 LYS H H 8.940 0.005 1
868 75 80 LYS HA H 4.206 0.004 1
869 75 80 LYS HB2 H 1.958 0.001 2
870 75 80 LYS HB3 H 1.886 0.002 2
871 75 80 LYS HG2 H 1.556 0.002 2
872 75 80 LYS HG3 H 1.422 0.000 2
873 75 80 LYS HD2 H 1.747 0.000 2
874 75 80 LYS HD3 H 1.747 0.000 2
875 75 80 LYS HE2 H 3.020 0.000 2
876 75 80 LYS HE3 H 3.020 0.000 2
877 75 80 LYS C C 177.180 0.000 1
878 75 80 LYS CA C 58.917 0.077 1
879 75 80 LYS CB C 32.082 0.081 1
880 75 80 LYS CG C 24.634 0.029 1
881 75 80 LYS CD C 29.265 0.061 1
882 75 80 LYS CE C 42.186 0.045 1
883 75 80 LYS N N 128.232 0.028 1
884 76 81 GLY H H 8.928 0.002 1
885 76 81 GLY HA2 H 4.359 0.005 2
886 76 81 GLY HA3 H 3.779 0.003 2
887 76 81 GLY C C 174.951 0.000 1
888 76 81 GLY CA C 45.967 0.025 1
889 76 81 GLY N N 114.707 0.014 1
890 77 82 PHE H H 8.269 0.002 1
891 77 82 PHE HA H 3.316 0.003 1
892 77 82 PHE HB2 H 3.064 0.002 2
893 77 82 PHE HB3 H 2.281 0.001 2
894 77 82 PHE HD1 H 6.076 0.004 3
895 77 82 PHE HD2 H 6.076 0.004 3
896 77 82 PHE HE1 H 7.537 0.006 3
897 77 82 PHE HE2 H 7.537 0.006 3
898 77 82 PHE HZ H 7.644 0.005 1
899 77 82 PHE C C 177.450 0.000 1
900 77 82 PHE CA C 63.118 0.018 1
901 77 82 PHE CB C 39.921 0.051 1
902 77 82 PHE CD1 C 131.302 0.041 3
903 77 82 PHE CE1 C 132.243 0.049 3
904 77 82 PHE CZ C 129.332 0.002 1
905 77 82 PHE N N 123.878 0.061 1
906 78 83 ASN H H 9.129 0.003 1
907 78 83 ASN HA H 4.439 0.006 1
908 78 83 ASN HB2 H 2.839 0.004 2
909 78 83 ASN HB3 H 2.839 0.004 2
910 78 83 ASN HD21 H 7.370 0.001 2
911 78 83 ASN HD22 H 6.577 0.001 2
912 78 83 ASN C C 180.187 0.000 1
913 78 83 ASN CA C 55.980 0.033 1
914 78 83 ASN CB C 36.319 0.062 1
915 78 83 ASN N N 119.831 0.009 1
916 78 83 ASN ND2 N 108.462 0.060 1
917 79 84 GLU H H 9.507 0.002 1
918 79 84 GLU HA H 4.176 0.003 1
919 79 84 GLU HB2 H 2.150 0.003 2
920 79 84 GLU HB3 H 2.055 0.002 2
921 79 84 GLU HG2 H 2.278 0.004 2
922 79 84 GLU HG3 H 2.594 0.002 2
923 79 84 GLU C C 179.249 0.000 1
924 79 84 GLU CA C 60.854 0.038 1
925 79 84 GLU CB C 28.180 0.032 1
926 79 84 GLU CG C 37.333 0.047 1
927 79 84 GLU N N 124.400 0.046 1
928 80 85 GLY H H 8.338 0.003 1
929 80 85 GLY HA2 H 3.951 0.004 2
930 80 85 GLY HA3 H 3.397 0.002 2
931 80 85 GLY C C 175.022 0.000 1
932 80 85 GLY CA C 46.698 0.055 1
933 80 85 GLY N N 111.451 0.032 1
934 81 86 LEU H H 8.274 0.004 1
935 81 86 LEU HA H 3.908 0.002 1
936 81 86 LEU HB2 H 1.427 0.003 2
937 81 86 LEU HB3 H 2.018 0.005 2
938 81 86 LEU HG H 1.484 0.000 1
939 81 86 LEU HD1 H 0.793 0.005 2
940 81 86 LEU HD2 H 0.959 0.004 2
941 81 86 LEU C C 179.193 0.000 1
942 81 86 LEU CA C 56.655 0.025 1
943 81 86 LEU CB C 41.146 0.041 1
944 81 86 LEU CG C 25.819 0.148 1
945 81 86 LEU CD1 C 21.286 0.044 2
946 81 86 LEU CD2 C 25.848 0.063 2
947 81 86 LEU N N 121.201 0.038 1
948 82 87 TRP H H 7.767 0.006 1
949 82 87 TRP HA H 4.144 0.003 1
950 82 87 TRP HB2 H 3.300 0.001 2
951 82 87 TRP HB3 H 3.662 0.005 2
952 82 87 TRP HD1 H 7.323 0.005 1
953 82 87 TRP HE1 H 10.273 0.003 1
954 82 87 TRP HE3 H 7.473 0.005 1
955 82 87 TRP HZ2 H 7.429 0.005 1
956 82 87 TRP HZ3 H 7.231 0.000 1
957 82 87 TRP HH2 H 7.212 0.002 1
958 82 87 TRP C C 179.752 0.000 1
959 82 87 TRP CA C 62.072 0.034 1
960 82 87 TRP CB C 28.455 0.040 1
961 82 87 TRP CD1 C 127.696 0.060 1
962 82 87 TRP CE3 C 120.374 0.001 1
963 82 87 TRP CZ2 C 115.097 0.029 1
964 82 87 TRP CZ3 C 121.930 0.000 1
965 82 87 TRP CH2 C 124.697 0.001 1
966 82 87 TRP N N 118.919 0.021 1
967 82 87 TRP NE1 N 130.945 0.014 1
968 83 88 GLU H H 8.760 0.001 1
969 83 88 GLU HA H 3.404 0.003 1
970 83 88 GLU HB2 H 2.047 0.000 2
971 83 88 GLU HB3 H 2.364 0.003 2
972 83 88 GLU HG2 H 3.225 0.005 2
973 83 88 GLU HG3 H 2.669 0.005 2
974 83 88 GLU C C 178.524 0.000 1
975 83 88 GLU CA C 60.048 0.022 1
976 83 88 GLU CB C 31.038 0.086 1
977 83 88 GLU CG C 37.183 0.024 1
978 83 88 GLU N N 120.602 0.019 1
979 84 89 ILE H H 7.630 0.003 1
980 84 89 ILE HA H 2.451 0.002 1
981 84 89 ILE HB H 0.749 0.002 1
982 84 89 ILE HG12 H 0.001 0.007 2
983 84 89 ILE HG13 H 0.991 0.000 2
984 84 89 ILE HG2 H 0.610 0.003 1
985 84 89 ILE HD1 H 0.288 0.005 1
986 84 89 ILE C C 173.659 0.000 1
987 84 89 ILE CA C 65.219 0.024 1
988 84 89 ILE CB C 37.269 0.060 1
989 84 89 ILE CG1 C 30.957 0.032 1
990 84 89 ILE CG2 C 16.190 0.063 1
991 84 89 ILE CD1 C 15.240 0.052 1
992 84 89 ILE N N 117.971 0.020 1
993 85 90 ASP H H 5.885 0.008 1
994 85 90 ASP HA H 4.569 0.004 1
995 85 90 ASP HB2 H 2.242 0.005 2
996 85 90 ASP HB3 H 2.394 0.004 2
997 85 90 ASP C C 177.292 0.000 1
998 85 90 ASP CA C 54.900 0.018 1
999 85 90 ASP CB C 42.454 0.047 1
1000 85 90 ASP N N 114.517 0.035 1
1001 86 91 ASN H H 7.457 0.005 1
1002 86 91 ASN HA H 4.416 0.003 1
1003 86 91 ASN HB2 H 1.642 0.006 2
1004 86 91 ASN HB3 H 0.430 0.004 2
1005 86 91 ASN HD21 H 6.867 0.004 2
1006 86 91 ASN HD22 H 6.174 0.006 2
1007 86 91 ASN C C 174.511 0.000 1
1008 86 91 ASN CA C 54.522 0.044 1
1009 86 91 ASN CB C 40.574 0.031 1
1010 86 91 ASN N N 114.352 0.020 1
1011 86 91 ASN ND2 N 116.940 0.078 1
1012 87 92 ASN H H 9.204 0.002 1
1013 87 92 ASN HA H 4.988 0.005 1
1014 87 92 ASN HB2 H 2.470 0.005 2
1015 87 92 ASN HB3 H 2.906 0.004 2
1016 87 92 ASN HD21 H 8.049 0.000 2
1017 87 92 ASN HD22 H 7.065 0.002 2
1018 87 92 ASN CA C 51.606 0.017 1
1019 87 92 ASN CB C 38.857 0.043 1
1020 87 92 ASN N N 119.162 0.028 1
1021 87 92 ASN ND2 N 110.458 0.068 1
1022 88 93 PRO HA H 4.287 0.003 1
1023 88 93 PRO HD2 H 2.968 0.004 2
1024 88 93 PRO HD3 H 3.466 0.003 2
1025 88 93 PRO C C 177.884 0.000 1
1026 88 93 PRO CA C 64.579 0.029 1
1027 88 93 PRO CB C 31.926 0.004 1
1028 88 93 PRO CG C 27.392 0.054 1
1029 88 93 PRO CD C 50.417 0.046 1
1030 89 94 LYS H H 8.255 0.005 1
1031 89 94 LYS HA H 4.279 0.003 1
1032 89 94 LYS HB2 H 1.672 0.002 2
1033 89 94 LYS HB3 H 1.961 0.000 2
1034 89 94 LYS HG2 H 1.321 0.006 2
1035 89 94 LYS HG3 H 1.215 0.004 2
1036 89 94 LYS HD2 H 1.551 0.000 2
1037 89 94 LYS HD3 H 1.551 0.000 2
1038 89 94 LYS HE2 H 2.903 0.002 2
1039 89 94 LYS HE3 H 2.903 0.002 2
1040 89 94 LYS C C 176.891 0.000 1
1041 89 94 LYS CA C 55.216 0.054 1
1042 89 94 LYS CB C 31.584 0.073 1
1043 89 94 LYS CG C 25.173 0.098 1
1044 89 94 LYS CD C 29.055 0.000 1
1045 89 94 LYS CE C 42.116 0.000 1
1046 89 94 LYS N N 118.018 0.034 1
1047 90 95 VAL H H 7.335 0.003 1
1048 90 95 VAL HA H 3.781 0.003 1
1049 90 95 VAL HB H 2.360 0.002 1
1050 90 95 VAL HG1 H 1.179 0.003 2
1051 90 95 VAL HG2 H 0.992 0.003 2
1052 90 95 VAL C C 173.196 0.000 1
1053 90 95 VAL CA C 62.767 0.032 1
1054 90 95 VAL CB C 31.517 0.046 1
1055 90 95 VAL CG1 C 19.343 0.037 2
1056 90 95 VAL CG2 C 21.962 0.026 2
1057 90 95 VAL N N 121.764 0.046 1
1058 91 96 LYS H H 8.218 0.009 1
1059 91 96 LYS HA H 4.109 0.004 1
1060 91 96 LYS HB2 H 1.512 0.003 2
1061 91 96 LYS HB3 H 1.696 0.007 2
1062 91 96 LYS HG2 H 1.324 0.000 2
1063 91 96 LYS HG3 H 1.206 0.000 2
1064 91 96 LYS C C 175.429 0.000 1
1065 91 96 LYS CA C 55.524 0.036 1
1066 91 96 LYS CB C 33.713 0.065 1
1067 91 96 LYS CG C 24.688 0.022 1
1068 91 96 LYS CD C 29.037 0.039 1
1069 91 96 LYS CE C 42.087 0.000 1
1070 91 96 LYS N N 123.502 0.034 1
1071 92 97 PHE H H 8.259 0.006 1
1072 92 97 PHE HA H 4.481 0.006 1
1073 92 97 PHE HB2 H 2.857 0.004 2
1074 92 97 PHE HB3 H 3.054 0.004 2
1075 92 97 PHE HD1 H 7.192 0.003 3
1076 92 97 PHE HD2 H 7.192 0.003 3
1077 92 97 PHE C C 175.460 0.000 1
1078 92 97 PHE CA C 58.222 0.069 1
1079 92 97 PHE CB C 40.677 0.073 1
1080 92 97 PHE CD1 C 131.581 0.000 3
1081 92 97 PHE N N 121.039 0.073 1
1082 93 98 SER H H 8.158 0.002 1
1083 93 98 SER HA H 4.407 0.003 1
1084 93 98 SER HB2 H 3.749 0.004 2
1085 93 98 SER HB3 H 3.749 0.004 2
1086 93 98 SER C C 174.096 0.000 1
1087 93 98 SER CA C 57.780 0.033 1
1088 93 98 SER CB C 63.994 0.015 1
1089 93 98 SER N N 118.834 0.063 1
stop_
save_