data_6927
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Spinophilin PDZ domain
;
_BMRB_accession_number 6927
_BMRB_flat_file_name bmr6927.str
_Entry_type original
_Submission_date 2005-12-19
_Accession_date 2005-12-19
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'spinophilin PDZ domain residues 494-602'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Kelker Matthew S. .
2 Peti Wolfgang . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 613
"13C chemical shifts" 447
"15N chemical shifts" 110
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-03-23 update BMRB 'relationship loop update'
2007-02-08 update BMRB 'complete entry citation'
2006-05-02 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR assignment of the Spinophilin PDZ domain (493-602)'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16607467
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Kelker Matthew S. .
2 Peti Wolfgang . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 36
_Journal_issue 'Suppl. 5'
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 24
_Page_last 24
_Year 2006
_Details .
loop_
_Keyword
PDZ
spinophilin
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'spinophlin PDZ domain'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'spinophlin PDZ domain' $spinophilin_PDZ_domain
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state protein
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_spinophilin_PDZ_domain
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common spinophilin
_Molecular_mass 11668
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 113
_Mol_residue_sequence
;
GHMELFPVELEKDSEGLGIS
IIGMGAGADMGLEKLGIFVK
TVTEGGAAHRDGRIQVNDLL
VEVDGTSLVGVTQSFAASVL
RNTKGRVRFMIGRERPGEQS
EVAQLIQQTLEQE
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 HIS 3 MET 4 GLU 5 LEU
6 PHE 7 PRO 8 VAL 9 GLU 10 LEU
11 GLU 12 LYS 13 ASP 14 SER 15 GLU
16 GLY 17 LEU 18 GLY 19 ILE 20 SER
21 ILE 22 ILE 23 GLY 24 MET 25 GLY
26 ALA 27 GLY 28 ALA 29 ASP 30 MET
31 GLY 32 LEU 33 GLU 34 LYS 35 LEU
36 GLY 37 ILE 38 PHE 39 VAL 40 LYS
41 THR 42 VAL 43 THR 44 GLU 45 GLY
46 GLY 47 ALA 48 ALA 49 HIS 50 ARG
51 ASP 52 GLY 53 ARG 54 ILE 55 GLN
56 VAL 57 ASN 58 ASP 59 LEU 60 LEU
61 VAL 62 GLU 63 VAL 64 ASP 65 GLY
66 THR 67 SER 68 LEU 69 VAL 70 GLY
71 VAL 72 THR 73 GLN 74 SER 75 PHE
76 ALA 77 ALA 78 SER 79 VAL 80 LEU
81 ARG 82 ASN 83 THR 84 LYS 85 GLY
86 ARG 87 VAL 88 ARG 89 PHE 90 MET
91 ILE 92 GLY 93 ARG 94 GLU 95 ARG
96 PRO 97 GLY 98 GLU 99 GLN 100 SER
101 GLU 102 VAL 103 ALA 104 GLN 105 LEU
106 ILE 107 GLN 108 GLN 109 THR 110 LEU
111 GLU 112 GLN 113 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
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
PDB 2G5M "Spinophilin Pdz Domain" 100.00 113 100.00 100.00 4.08e-72
PDB 3EGG "Crystal Structure Of A Complex Between Protein Phosphatase 1 Alpha (Pp1) And The Pp1 Binding And Pdz Domains Of Spinophilin" 81.42 170 98.91 100.00 2.76e-55
PDB 3EGH "Crystal Structure Of A Complex Between Protein Phosphatase 1 Alpha (pp1), The Pp1 Binding And Pdz Domains Of Spinophilin And Th" 82.30 170 97.85 98.92 2.53e-55
DBJ BAG51442 "unnamed protein product [Homo sapiens]" 79.65 305 100.00 100.00 4.97e-54
EMBL CAC37685 "neurabin II protein [Homo sapiens]" 100.00 817 97.35 98.23 6.56e-64
EMBL CAD28455 "hypothetical protein [Homo sapiens]" 98.23 420 99.10 100.00 7.46e-68
GB AAB72005 "Spinophilin [Rattus norvegicus]" 98.23 817 99.10 100.00 1.26e-65
GB AAC05183 "neurabin II [Rattus norvegicus]" 98.23 817 99.10 100.00 1.26e-65
GB AAH16162 "PPP1R9B protein, partial [Homo sapiens]" 87.61 314 100.00 100.00 3.21e-60
GB AAH29672 "Ppp1r9b protein [Mus musculus]" 98.23 393 99.10 100.00 3.02e-68
GB AAI60878 "Protein phosphatase 1, regulatory subunit 9B [Rattus norvegicus]" 98.23 817 99.10 100.00 1.31e-65
REF NP_115984 "neurabin-2 [Homo sapiens]" 98.23 817 99.10 100.00 1.02e-65
REF NP_445926 "neurabin-2 [Rattus norvegicus]" 98.23 817 99.10 100.00 1.26e-65
REF NP_758465 "neurabin-2 [Mus musculus]" 98.23 817 99.10 100.00 1.44e-65
REF XP_003131641 "PREDICTED: neurabin-2 [Sus scrofa]" 98.23 818 99.10 100.00 1.21e-65
REF XP_003281307 "PREDICTED: LOW QUALITY PROTEIN: neurabin-2 [Nomascus leucogenys]" 98.23 1414 99.10 100.00 1.65e-64
SP O35274 "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Neural tissue-specific F-actin-binding protein II; AltName: " 98.23 817 99.10 100.00 1.26e-65
SP Q6R891 "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Protein phosphatase 1 regulatory subunit 9B; AltName: Full=S" 98.23 817 99.10 100.00 1.44e-65
SP Q96SB3 "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Protein phosphatase 1 regulatory subunit 9B; AltName: Full=S" 98.23 815 99.10 100.00 1.01e-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
$spinophilin_PDZ_domain rat 10116 Eukaryota Metazoa Rattus norvegicus
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
$spinophilin_PDZ_domain 'recombinant technology' 'E. coli' . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
20 mM Na phohphate buffer, pH 6.5
50 mM NaCl
0.02% NaN3
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$spinophilin_PDZ_domain 2.0 mM .
'Na phohphate buffer' 20 mM .
NaCl 50 mM .
NaN3 0.02 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name CARA
_Version 1.3
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AvanceII
_Field_strength 500
_Details Cryoprobe
save_
#############################
# NMR applied experiments #
#############################
save_1H15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H15N_HSQC
_Sample_label $sample_1
save_
save_HNCA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label $sample_1
save_
save_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label $sample_1
save_
save_CBCACONH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONH
_Sample_label $sample_1
save_
save_HCCH_TOCSY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH_TOCSY
_Sample_label $sample_1
save_
save_HNCO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 50 1 mM
pH 6.5 0.2 pH
temperature 298 0.2 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation_1 $citation_1
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citation_1 $citation_1
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation_1 $citation_1
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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_1
stop_
loop_
_Experiment_label
1H15N_HSQC
HNCA
HNCACB
CBCACONH
HCCH_TOCSY
HNCO
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name 'spinophlin PDZ 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 HIS HA H 4.691 0.001 1
2 2 2 HIS HB2 H 3.037 0.002 1
3 2 2 HIS HB3 H 3.037 0.002 1
4 2 2 HIS HD2 H 7.666 0.002 1
5 2 2 HIS HE1 H 7.011 0.015 1
6 2 2 HIS CA C 55.279 0.25 1
7 2 2 HIS CB C 30.091 0.25 1
8 3 3 MET H H 8.492 0.015 1
9 3 3 MET HA H 4.504 0.003 1
10 3 3 MET HB2 H 1.776 0.015 1
11 3 3 MET HB3 H 1.679 0.015 1
12 3 3 MET HG2 H 2.128 0.015 1
13 3 3 MET HG3 H 2.204 0.015 1
14 3 3 MET C C 175.347 0.25 1
15 3 3 MET CA C 55.022 0.25 1
16 3 3 MET CB C 33.432 0.25 1
17 3 3 MET CG C 31.633 0.25 1
18 3 3 MET N N 123.019 0.06 1
19 4 4 GLU H H 8.584 0.015 1
20 4 4 GLU HA H 4.429 0.015 1
21 4 4 GLU HB2 H 2.025 0.013 1
22 4 4 GLU HB3 H 1.888 0.006 1
23 4 4 GLU HG2 H 2.219 0.001 1
24 4 4 GLU HG3 H 2.148 0.015 1
25 4 4 GLU C C 174.609 0.25 1
26 4 4 GLU CA C 55.279 0.25 1
27 4 4 GLU CB C 31.119 0.25 1
28 4 4 GLU CG C 36.259 0.25 1
29 4 4 GLU N N 126.771 0.06 1
30 5 5 LEU H H 8.299 0.015 1
31 5 5 LEU HA H 5.599 0.001 1
32 5 5 LEU HB2 H 1.214 0.015 1
33 5 5 LEU HB3 H 1.472 0.015 1
34 5 5 LEU HG H 1.364 0.005 1
35 5 5 LEU HD1 H 0.668 0.002 2
36 5 5 LEU HD2 H 0.585 0.015 2
37 5 5 LEU C C 177.689 0.25 1
38 5 5 LEU CA C 53.223 0.25 1
39 5 5 LEU CB C 44.484 0.25 1
40 5 5 LEU CG C 27.520 0.25 1
41 5 5 LEU CD1 C 24.950 0.25 1
42 5 5 LEU CD2 C 24.436 0.25 1
43 5 5 LEU N N 124.527 0.06 1
44 6 6 PHE H H 9.058 0.015 1
45 6 6 PHE HA H 5.049 0.005 1
46 6 6 PHE HB2 H 3.013 0.003 1
47 6 6 PHE HB3 H 2.860 0.002 1
48 6 6 PHE HD1 H 6.783 0.015 1
49 6 6 PHE HD2 H 6.783 0.015 1
50 6 6 PHE HE1 H 7.019 0.015 1
51 6 6 PHE HE2 H 7.019 0.015 1
52 6 6 PHE C C 171.867 0.25 1
53 6 6 PHE CA C 53.994 0.25 1
54 6 6 PHE CB C 39.343 0.25 1
55 6 6 PHE N N 120.933 0.06 1
56 7 7 PRO HA H 5.469 0.006 1
57 7 7 PRO HB2 H 2.066 0.015 1
58 7 7 PRO HB3 H 1.887 0.015 1
59 7 7 PRO HG2 H 2.095 0.015 1
60 7 7 PRO HG3 H 2.010 0.015 1
61 7 7 PRO HD2 H 3.859 0.007 1
62 7 7 PRO HD3 H 3.618 0.007 1
63 7 7 PRO CA C 61.447 0.25 1
64 7 7 PRO CB C 32.404 0.25 1
65 7 7 PRO CG C 26.749 0.25 1
66 7 7 PRO CD C 50.652 0.25 1
67 8 8 VAL H H 8.414 0.015 1
68 8 8 VAL HA H 3.912 0.015 1
69 8 8 VAL HB H 1.559 0.002 1
70 8 8 VAL HG1 H 0.781 0.015 2
71 8 8 VAL HG2 H 0.747 0.015 2
72 8 8 VAL C C 173.755 0.25 1
73 8 8 VAL CA C 62.475 0.25 1
74 8 8 VAL CB C 37.544 0.25 1
75 8 8 VAL CG1 C 23.922 0.25 1
76 8 8 VAL CG2 C 21.095 0.25 1
77 8 8 VAL N N 119.252 0.06 1
78 9 9 GLU H H 7.620 0.015 1
79 9 9 GLU HA H 5.512 0.015 1
80 9 9 GLU HB2 H 1.863 0.015 1
81 9 9 GLU HB3 H 1.769 0.015 1
82 9 9 GLU HG2 H 2.090 0.015 1
83 9 9 GLU HG3 H 1.928 0.007 1
84 9 9 GLU C C 174.693 0.25 1
85 9 9 GLU CA C 54.765 0.25 1
86 9 9 GLU CB C 31.119 0.25 1
87 9 9 GLU CG C 36.773 0.25 1
88 9 9 GLU N N 126.572 0.06 1
89 10 10 LEU H H 8.841 0.015 1
90 10 10 LEU HA H 4.688 0.003 1
91 10 10 LEU HB2 H 1.404 0.015 1
92 10 10 LEU HB3 H 1.312 0.001 1
93 10 10 LEU HG H 1.403 0.015 1
94 10 10 LEU HD1 H 0.737 0.015 2
95 10 10 LEU HD2 H 0.651 0.002 2
96 10 10 LEU C C 174.883 0.25 1
97 10 10 LEU CA C 52.966 0.25 1
98 10 10 LEU CB C 46.540 0.25 1
99 10 10 LEU CG C 26.492 0.25 1
100 10 10 LEU CD1 C 24.436 0.25 1
101 10 10 LEU CD2 C 25.464 0.25 1
102 10 10 LEU N N 122.243 0.06 1
103 11 11 GLU H H 8.555 0.015 1
104 11 11 GLU HA H 4.500 0.015 1
105 11 11 GLU HB2 H 1.769 0.005 1
106 11 11 GLU HB3 H 1.681 0.015 1
107 11 11 GLU HG2 H 2.189 0.015 1
108 11 11 GLU HG3 H 2.136 0.015 1
109 11 11 GLU C C 175.748 0.25 1
110 11 11 GLU CA C 54.765 0.25 1
111 11 11 GLU CB C 31.376 0.25 1
112 11 11 GLU CG C 36.002 0.25 1
113 11 11 GLU N N 122.249 0.06 1
114 12 12 LYS H H 8.494 0.015 1
115 12 12 LYS HA H 3.701 0.015 1
116 12 12 LYS HB2 H 1.821 0.002 1
117 12 12 LYS HB3 H 1.494 0.002 1
118 12 12 LYS HG2 H 1.191 0.015 1
119 12 12 LYS HG3 H 1.060 0.001 1
120 12 12 LYS HD2 H 1.466 0.015 1
121 12 12 LYS HD3 H 1.466 0.015 1
122 12 12 LYS HE2 H 2.761 0.005 1
123 12 12 LYS HE3 H 2.761 0.005 1
124 12 12 LYS C C 176.940 0.25 1
125 12 12 LYS CA C 57.592 0.25 1
126 12 12 LYS CB C 34.203 0.25 1
127 12 12 LYS CG C 26.235 0.25 1
128 12 12 LYS CD C 30.348 0.25 1
129 12 12 LYS CE C 42.171 0.25 1
130 12 12 LYS N N 124.529 0.06 1
131 13 13 ASP H H 7.530 0.015 1
132 13 13 ASP HA H 4.832 0.004 1
133 13 13 ASP HB2 H 3.168 0.003 1
134 13 13 ASP HB3 H 2.642 0.015 1
135 13 13 ASP C C 178.259 0.25 1
136 13 13 ASP CA C 52.709 0.25 1
137 13 13 ASP CB C 41.914 0.25 1
138 13 13 ASP N N 123.621 0.06 1
139 14 14 SER H H 8.470 0.015 1
140 14 14 SER HA H 3.767 0.001 1
141 14 14 SER HB2 H 3.935 0.001 1
142 14 14 SER HB3 H 3.935 0.001 1
143 14 14 SER CA C 61.704 0.25 1
144 14 14 SER CB C 62.732 0.25 1
145 14 14 SER N N 115.266 0.06 1
146 15 15 GLU H H 8.353 0.015 1
147 15 15 GLU HA H 4.125 0.015 1
148 15 15 GLU HB2 H 1.915 0.019 1
149 15 15 GLU HB3 H 1.787 0.017 1
150 15 15 GLU HG2 H 2.194 0.004 1
151 15 15 GLU HG3 H 2.080 0.015 1
152 15 15 GLU C C 176.666 0.25 1
153 15 15 GLU CA C 56.307 0.25 1
154 15 15 GLU CB C 29.576 0.25 1
155 15 15 GLU CG C 36.516 0.25 1
156 15 15 GLU N N 119.525 0.06 1
157 16 16 GLY H H 7.938 0.015 1
158 16 16 GLY HA2 H 4.487 0.001 1
159 16 16 GLY HA3 H 3.471 0.002 1
160 16 16 GLY C C 174.620 0.25 1
161 16 16 GLY CA C 44.998 0.25 1
162 16 16 GLY N N 108.216 0.06 1
163 17 17 LEU H H 9.158 0.015 1
164 17 17 LEU HA H 4.033 0.015 1
165 17 17 LEU HB2 H 1.848 0.015 1
166 17 17 LEU HB3 H 1.277 0.002 1
167 17 17 LEU HG H 1.577 0.002 1
168 17 17 LEU HD1 H 0.967 0.015 2
169 17 17 LEU HD2 H 0.783 0.001 2
170 17 17 LEU CA C 56.307 0.25 1
171 17 17 LEU CB C 43.970 0.25 1
172 17 17 LEU CG C 27.006 0.25 1
173 17 17 LEU CD1 C 25.978 0.25 1
174 17 17 LEU CD2 C 23.665 0.25 1
175 17 17 LEU N N 123.805 0.06 1
176 18 18 GLY H H 8.772 0.015 1
177 18 18 GLY HA2 H 4.137 0.015 1
178 18 18 GLY HA3 H 3.737 0.007 1
179 18 18 GLY C C 176.054 0.25 1
180 18 18 GLY CA C 46.026 0.25 1
181 18 18 GLY N N 105.069 0.06 1
182 19 19 ILE H H 7.053 0.015 1
183 19 19 ILE HA H 5.064 0.004 1
184 19 19 ILE HB H 1.612 0.015 1
185 19 19 ILE HG12 H 1.163 0.001 1
186 19 19 ILE HG13 H 1.163 0.001 1
187 19 19 ILE HG2 H 0.627 0.002 1
188 19 19 ILE HD1 H 0.456 0.015 1
189 19 19 ILE C C 174.852 0.25 1
190 19 19 ILE CA C 59.391 0.25 1
191 19 19 ILE CB C 42.942 0.25 1
192 19 19 ILE CG1 C 25.207 0.25 1
193 19 19 ILE CG2 C 18.524 0.25 1
194 19 19 ILE CD1 C 13.641 0.25 1
195 19 19 ILE N N 111.843 0.06 1
196 20 20 SER H H 8.173 0.015 1
197 20 20 SER HA H 4.847 0.003 1
198 20 20 SER HB2 H 3.784 0.005 1
199 20 20 SER HB3 H 3.674 0.003 1
200 20 20 SER C C 174.409 0.25 1
201 20 20 SER CA C 56.821 0.25 1
202 20 20 SER CB C 65.817 0.25 1
203 20 20 SER N N 116.701 0.06 1
204 21 21 ILE H H 8.434 0.015 1
205 21 21 ILE HA H 5.351 0.006 1
206 21 21 ILE HB H 1.783 0.015 1
207 21 21 ILE HG12 H 0.964 0.001 1
208 21 21 ILE HG13 H 1.248 0.015 1
209 21 21 ILE HG2 H 0.510 0.015 1
210 21 21 ILE HD1 H 0.648 0.015 1
211 21 21 ILE C C 174.599 0.25 1
212 21 21 ILE CA C 59.648 0.25 1
213 21 21 ILE CB C 42.171 0.25 1
214 21 21 ILE CG1 C 25.207 0.25 1
215 21 21 ILE CG2 C 18.782 0.25 1
216 21 21 ILE CD1 C 14.926 0.25 1
217 21 21 ILE N N 115.607 0.06 1
218 22 22 ILE H H 8.881 0.015 1
219 22 22 ILE HA H 4.390 0.004 1
220 22 22 ILE HB H 1.612 0.015 1
221 22 22 ILE HG12 H 1.496 0.001 1
222 22 22 ILE HG13 H 1.091 0.002 1
223 22 22 ILE HG2 H 0.783 0.015 1
224 22 22 ILE HD1 H 0.829 0.015 1
225 22 22 ILE C C 173.512 0.25 1
226 22 22 ILE CA C 59.648 0.25 1
227 22 22 ILE CB C 41.914 0.25 1
228 22 22 ILE CG1 C 28.548 0.25 1
229 22 22 ILE CG2 C 16.725 0.25 1
230 22 22 ILE CD1 C 14.155 0.25 1
231 22 22 ILE N N 119.008 0.06 1
232 23 23 GLY H H 8.399 0.015 1
233 23 23 GLY HA2 H 5.096 0.009 1
234 23 23 GLY HA3 H 3.463 0.001 1
235 23 23 GLY C C 173.291 0.25 1
236 23 23 GLY CA C 44.741 0.25 1
237 23 23 GLY N N 112.984 0.06 1
238 24 24 MET H H 8.841 0.015 1
239 24 24 MET HA H 4.654 0.001 1
240 24 24 MET HB2 H 1.873 0.002 1
241 24 24 MET HB3 H 1.984 0.001 1
242 24 24 MET HG2 H 2.316 0.015 1
243 24 24 MET HG3 H 2.316 0.015 1
244 24 24 MET C C 175.548 0.25 1
245 24 24 MET CA C 55.022 0.25 1
246 24 24 MET CB C 34.974 0.25 1
247 24 24 MET CG C 31.890 0.25 1
248 24 24 MET N N 122.059 0.06 1
249 25 25 GLY H H 8.577 0.015 1
250 25 25 GLY HA2 H 3.993 0.003 1
251 25 25 GLY HA3 H 3.760 0.005 1
252 25 25 GLY C C 173.375 0.25 1
253 25 25 GLY CA C 45.255 0.25 1
254 25 25 GLY N N 110.537 0.06 1
255 26 26 ALA H H 8.325 0.015 1
256 26 26 ALA HA H 4.309 0.004 1
257 26 26 ALA HB H 1.243 0.001 1
258 26 26 ALA C C 177.805 0.25 1
259 26 26 ALA CA C 52.195 0.25 1
260 26 26 ALA CB C 19.553 0.25 1
261 26 26 ALA N N 124.197 0.06 1
262 27 27 GLY H H 8.373 0.015 1
263 27 27 GLY HA2 H 3.821 0.014 1
264 27 27 GLY HA3 H 3.821 0.014 1
265 27 27 GLY C C 174.219 0.25 1
266 27 27 GLY CA C 45.255 0.25 1
267 27 27 GLY N N 108.452 0.06 1
268 28 28 ALA H H 8.223 0.015 1
269 28 28 ALA HA H 4.141 0.002 1
270 28 28 ALA HB H 1.240 0.001 1
271 28 28 ALA C C 177.742 0.25 1
272 28 28 ALA CA C 52.966 0.25 1
273 28 28 ALA CB C 19.296 0.25 1
274 28 28 ALA N N 123.783 0.06 1
275 29 29 ASP H H 8.306 0.015 1
276 29 29 ASP HA H 4.406 0.015 1
277 29 29 ASP HB2 H 2.597 0.001 1
278 29 29 ASP HB3 H 2.491 0.003 1
279 29 29 ASP C C 176.392 0.25 1
280 29 29 ASP CA C 54.765 0.25 1
281 29 29 ASP CB C 40.628 0.25 1
282 29 29 ASP N N 118.220 0.06 1
283 30 30 MET H H 8.117 0.015 1
284 30 30 MET HA H 4.300 0.015 1
285 30 30 MET HB2 H 2.026 0.015 1
286 30 30 MET HB3 H 1.883 0.015 1
287 30 30 MET HG2 H 2.467 0.001 1
288 30 30 MET HG3 H 2.361 0.015 1
289 30 30 MET C C 176.666 0.25 1
290 30 30 MET CA C 55.536 0.25 1
291 30 30 MET CB C 32.147 0.25 1
292 30 30 MET CG C 32.147 0.25 1
293 30 30 MET N N 119.443 0.06 1
294 31 31 GLY H H 8.241 0.015 1
295 31 31 GLY HA2 H 3.760 0.015 1
296 31 31 GLY HA3 H 3.760 0.015 1
297 31 31 GLY C C 174.250 0.25 1
298 31 31 GLY CA C 45.512 0.25 1
299 31 31 GLY N N 108.828 0.06 1
300 32 32 LEU H H 7.892 0.015 1
301 32 32 LEU HA H 4.193 0.015 1
302 32 32 LEU HB2 H 1.479 0.039 1
303 32 32 LEU HB3 H 1.423 0.015 1
304 32 32 LEU HG H 1.503 0.015 1
305 32 32 LEU HD1 H 0.704 0.015 2
306 32 32 LEU HD2 H 0.762 0.001 2
307 32 32 LEU C C 177.130 0.25 1
308 32 32 LEU CA C 55.536 0.25 1
309 32 32 LEU CB C 42.428 0.25 1
310 32 32 LEU CG C 26.749 0.25 1
311 32 32 LEU CD1 C 23.408 0.25 1
312 32 32 LEU CD2 C 24.950 0.25 1
313 32 32 LEU N N 121.251 0.06 1
314 33 33 GLU H H 8.406 0.015 1
315 33 33 GLU HA H 4.115 0.004 1
316 33 33 GLU HB2 H 1.938 0.015 1
317 33 33 GLU HB3 H 1.836 0.015 1
318 33 33 GLU HG2 H 2.128 0.015 1
319 33 33 GLU HG3 H 2.084 0.015 1
320 33 33 GLU C C 175.906 0.25 1
321 33 33 GLU CA C 56.821 0.25 1
322 33 33 GLU CB C 30.091 0.25 1
323 33 33 GLU CG C 36.259 0.25 1
324 33 33 GLU N N 120.473 0.06 1
325 34 34 LYS H H 7.961 0.015 1
326 34 34 LYS HA H 4.212 0.001 1
327 34 34 LYS HB2 H 1.572 0.003 1
328 34 34 LYS HB3 H 1.572 0.003 1
329 34 34 LYS HG2 H 1.224 0.009 1
330 34 34 LYS HG3 H 1.224 0.009 1
331 34 34 LYS HD2 H 1.464 0.006 1
332 34 34 LYS HD3 H 1.464 0.006 1
333 34 34 LYS HE2 H 2.784 0.001 1
334 34 34 LYS HE3 H 2.784 0.001 1
335 34 34 LYS C C 175.537 0.25 1
336 34 34 LYS CA C 55.536 0.25 1
337 34 34 LYS CB C 33.432 0.25 1
338 34 34 LYS CG C 24.693 0.25 1
339 34 34 LYS CD C 29.062 0.25 1
340 34 34 LYS CE C 42.171 0.25 1
341 34 34 LYS N N 121.282 0.06 1
342 35 35 LEU H H 8.139 0.015 1
343 35 35 LEU HA H 4.415 0.001 1
344 35 35 LEU HB2 H 1.488 0.002 1
345 35 35 LEU HB3 H 1.488 0.002 1
346 35 35 LEU HG H 1.490 0.001 1
347 35 35 LEU HD1 H 0.700 0.015 2
348 35 35 LEU HD2 H 0.655 0.015 2
349 35 35 LEU C C 177.046 0.25 1
350 35 35 LEU CA C 55.279 0.25 1
351 35 35 LEU CB C 42.942 0.25 1
352 35 35 LEU CG C 27.006 0.25 1
353 35 35 LEU CD1 C 25.464 0.25 1
354 35 35 LEU CD2 C 23.151 0.25 1
355 35 35 LEU N N 122.526 0.06 1
356 36 36 GLY H H 8.296 0.015 1
357 36 36 GLY HA2 H 4.148 0.003 1
358 36 36 GLY HA3 H 3.468 0.015 1
359 36 36 GLY C C 171.213 0.25 1
360 36 36 GLY CA C 44.227 0.25 1
361 36 36 GLY N N 108.682 0.06 1
362 37 37 ILE H H 8.403 0.015 1
363 37 37 ILE HA H 4.484 0.015 1
364 37 37 ILE HB H 2.168 0.015 1
365 37 37 ILE HG12 H 0.995 0.015 1
366 37 37 ILE HG13 H 1.762 0.010 1
367 37 37 ILE HG2 H 0.636 0.015 1
368 37 37 ILE HD1 H 0.478 0.002 1
369 37 37 ILE C C 173.291 0.25 1
370 37 37 ILE CA C 57.335 0.25 1
371 37 37 ILE CB C 34.974 0.25 1
372 37 37 ILE CG1 C 26.235 0.25 1
373 37 37 ILE CG2 C 18.524 0.25 1
374 37 37 ILE CD1 C 8.501 0.25 1
375 37 37 ILE N N 122.395 0.06 1
376 38 38 PHE H H 8.792 0.015 1
377 38 38 PHE HA H 5.288 0.003 1
378 38 38 PHE HB2 H 2.580 0.002 1
379 38 38 PHE HB3 H 2.580 0.002 1
380 38 38 PHE C C 176.402 0.25 1
381 38 38 PHE CA C 55.793 0.25 1
382 38 38 PHE CB C 42.685 0.25 1
383 38 38 PHE N N 124.242 0.06 1
384 39 39 VAL H H 8.882 0.015 1
385 39 39 VAL HA H 3.731 0.015 1
386 39 39 VAL HB H 2.075 0.004 1
387 39 39 VAL HG1 H 0.540 0.015 2
388 39 39 VAL HG2 H 0.620 0.001 2
389 39 39 VAL C C 175.822 0.25 1
390 39 39 VAL CA C 63.761 0.25 1
391 39 39 VAL CB C 31.376 0.25 1
392 39 39 VAL CG1 C 22.637 0.25 1
393 39 39 VAL CG2 C 21.866 0.25 1
394 39 39 VAL N N 119.891 0.06 1
395 40 40 LYS H H 9.245 0.015 1
396 40 40 LYS HA H 4.255 0.001 1
397 40 40 LYS HB2 H 1.316 0.002 1
398 40 40 LYS HB3 H 1.316 0.002 1
399 40 40 LYS HG2 H 1.227 0.001 1
400 40 40 LYS HG3 H 1.227 0.001 1
401 40 40 LYS HD2 H 1.539 0.015 1
402 40 40 LYS HD3 H 1.391 0.003 1
403 40 40 LYS HE2 H 2.794 0.015 1
404 40 40 LYS HE3 H 2.794 0.015 1
405 40 40 LYS C C 172.706 0.25 1
406 40 40 LYS CA C 57.078 0.25 1
407 40 40 LYS CB C 33.946 0.25 1
408 40 40 LYS CG C 24.436 0.25 1
409 40 40 LYS CD C 28.805 0.25 1
410 40 40 LYS CE C 42.428 0.25 1
411 40 40 LYS N N 133.071 0.06 1
412 41 41 THR H H 7.149 0.015 1
413 41 41 THR HA H 4.351 0.006 1
414 41 41 THR HB H 3.765 0.015 1
415 41 41 THR HG2 H 0.913 0.015 1
416 41 41 THR C C 171.877 0.25 1
417 41 41 THR CA C 60.162 0.25 1
418 41 41 THR CB C 72.499 0.25 1
419 41 41 THR CG2 C 22.380 0.25 1
420 41 41 THR N N 107.291 0.06 1
421 42 42 VAL H H 8.276 0.015 1
422 42 42 VAL HA H 4.290 0.015 1
423 42 42 VAL HB H 1.758 0.015 1
424 42 42 VAL HG1 H 0.551 0.015 2
425 42 42 VAL HG2 H 0.718 0.015 2
426 42 42 VAL C C 175.453 0.25 1
427 42 42 VAL CA C 61.447 0.25 1
428 42 42 VAL CB C 33.432 0.25 1
429 42 42 VAL CG1 C 21.095 0.25 1
430 42 42 VAL CG2 C 21.352 0.25 1
431 42 42 VAL N N 122.033 0.06 1
432 43 43 THR H H 7.968 0.015 1
433 43 43 THR HA H 4.130 0.019 1
434 43 43 THR HB H 4.090 0.003 1
435 43 43 THR HG2 H 1.056 0.001 1
436 43 43 THR C C 175.432 0.25 1
437 43 43 THR CA C 64.018 0.25 1
438 43 43 THR CB C 69.672 0.25 1
439 43 43 THR CG2 C 21.866 0.25 1
440 43 43 THR N N 123.575 0.06 1
441 44 44 GLU H H 9.226 0.015 1
442 44 44 GLU HA H 2.921 0.015 1
443 44 44 GLU HB2 H 1.702 0.015 1
444 44 44 GLU HB3 H 1.651 0.001 1
445 44 44 GLU HG2 H 1.879 0.015 1
446 44 44 GLU HG3 H 1.845 0.015 1
447 44 44 GLU C C 177.214 0.25 1
448 44 44 GLU CA C 58.363 0.25 1
449 44 44 GLU CB C 28.291 0.25 1
450 44 44 GLU CG C 36.002 0.25 1
451 44 44 GLU N N 133.185 0.06 1
452 45 45 GLY H H 9.244 0.015 1
453 45 45 GLY HA2 H 4.107 0.005 1
454 45 45 GLY HA3 H 3.711 0.015 1
455 45 45 GLY C C 174.693 0.25 1
456 45 45 GLY CA C 45.255 0.25 1
457 45 45 GLY N N 116.666 0.06 1
458 46 46 GLY H H 7.658 0.015 1
459 46 46 GLY HA2 H 4.109 0.004 1
460 46 46 GLY HA3 H 3.707 0.001 1
461 46 46 GLY C C 173.871 0.25 1
462 46 46 GLY CA C 44.998 0.25 1
463 46 46 GLY N N 107.175 0.06 1
464 47 47 ALA H H 8.791 0.015 1
465 47 47 ALA HA H 3.810 0.002 1
466 47 47 ALA HB H 1.382 0.003 1
467 47 47 ALA C C 180.874 0.25 1
468 47 47 ALA CA C 56.050 0.25 1
469 47 47 ALA CB C 18.267 0.25 1
470 47 47 ALA N N 120.647 0.06 1
471 48 48 ALA H H 7.708 0.015 1
472 48 48 ALA HA H 4.006 0.015 1
473 48 48 ALA HB H 1.148 0.001 1
474 48 48 ALA C C 180.790 0.25 1
475 48 48 ALA CA C 54.765 0.25 1
476 48 48 ALA CB C 17.753 0.25 1
477 48 48 ALA N N 119.167 0.06 1
478 49 49 HIS H H 9.233 0.015 1
479 49 49 HIS HA H 3.995 0.004 1
480 49 49 HIS HB2 H 3.049 0.008 1
481 49 49 HIS HB3 H 3.049 0.008 1
482 49 49 HIS HD2 H 7.969 0.002 1
483 49 49 HIS HE1 H 6.888 0.015 1
484 49 49 HIS C C 177.510 0.25 1
485 49 49 HIS CA C 59.648 0.25 1
486 49 49 HIS CB C 32.404 0.25 1
487 49 49 HIS N N 124.956 0.06 1
488 50 50 ARG H H 8.571 0.015 1
489 50 50 ARG HA H 3.683 0.015 1
490 50 50 ARG HB2 H 1.704 0.001 1
491 50 50 ARG HB3 H 1.640 0.002 1
492 50 50 ARG HG2 H 1.712 0.002 1
493 50 50 ARG HG3 H 1.390 0.015 1
494 50 50 ARG HD2 H 3.164 0.015 1
495 50 50 ARG HD3 H 3.040 0.015 1
496 50 50 ARG C C 178.533 0.25 1
497 50 50 ARG CA C 59.391 0.25 1
498 50 50 ARG CB C 30.091 0.25 1
499 50 50 ARG CG C 27.777 0.25 1
500 50 50 ARG CD C 43.199 0.25 1
501 50 50 ARG N N 117.458 0.06 1
502 51 51 ASP H H 7.384 0.015 1
503 51 51 ASP HA H 4.243 0.015 1
504 51 51 ASP HB2 H 2.622 0.015 1
505 51 51 ASP HB3 H 2.446 0.015 1
506 51 51 ASP C C 177.594 0.25 1
507 51 51 ASP CA C 57.078 0.25 1
508 51 51 ASP CB C 43.970 0.25 1
509 51 51 ASP N N 117.660 0.06 1
510 52 52 GLY H H 7.412 0.015 1
511 52 52 GLY HA2 H 3.849 0.015 1
512 52 52 GLY HA3 H 3.674 0.001 1
513 52 52 GLY C C 175.010 0.25 1
514 52 52 GLY CA C 46.283 0.25 1
515 52 52 GLY N N 103.672 0.06 1
516 53 53 ARG H H 7.764 0.015 1
517 53 53 ARG HA H 3.993 0.015 1
518 53 53 ARG HB2 H 1.845 0.001 1
519 53 53 ARG HB3 H 1.757 0.001 1
520 53 53 ARG HG2 H 1.618 0.015 1
521 53 53 ARG HG3 H 1.524 0.015 1
522 53 53 ARG HD2 H 3.095 0.015 1
523 53 53 ARG HD3 H 3.095 0.015 1
524 53 53 ARG C C 176.476 0.25 1
525 53 53 ARG CA C 58.620 0.25 1
526 53 53 ARG CB C 30.091 0.25 1
527 53 53 ARG CG C 27.777 0.25 1
528 53 53 ARG CD C 43.456 0.25 1
529 53 53 ARG N N 119.108 0.06 1
530 54 54 ILE H H 8.828 0.015 1
531 54 54 ILE HA H 3.778 0.001 1
532 54 54 ILE HB H 1.235 0.015 1
533 54 54 ILE HG12 H 1.528 0.002 1
534 54 54 ILE HG13 H 0.525 0.039 1
535 54 54 ILE HG2 H 0.564 0.015 1
536 54 54 ILE HD1 H 0.092 0.002 1
537 54 54 ILE C C 174.103 0.25 1
538 54 54 ILE CA C 62.475 0.25 1
539 54 54 ILE CB C 38.572 0.25 1
540 54 54 ILE CG1 C 29.062 0.25 1
541 54 54 ILE CG2 C 18.010 0.25 1
542 54 54 ILE CD1 C 12.870 0.25 1
543 54 54 ILE N N 120.524 0.06 1
544 55 55 GLN H H 9.012 0.015 1
545 55 55 GLN HA H 4.462 0.015 1
546 55 55 GLN HB2 H 1.934 0.015 1
547 55 55 GLN HB3 H 1.679 0.003 1
548 55 55 GLN HG2 H 2.249 0.015 1
549 55 55 GLN HG3 H 2.171 0.015 1
550 55 55 GLN C C 175.242 0.25 1
551 55 55 GLN CA C 52.709 0.25 1
552 55 55 GLN CB C 32.404 0.25 1
553 55 55 GLN CG C 33.175 0.25 1
554 55 55 GLN N N 125.702 0.06 1
555 56 56 VAL H H 8.218 0.015 1
556 56 56 VAL HA H 3.107 0.002 1
557 56 56 VAL HB H 1.700 0.001 1
558 56 56 VAL HG1 H 0.806 0.015 2
559 56 56 VAL HG2 H 0.794 0.015 2
560 56 56 VAL C C 177.784 0.25 1
561 56 56 VAL CA C 65.303 0.25 1
562 56 56 VAL CB C 31.633 0.25 1
563 56 56 VAL CG1 C 23.151 0.25 1
564 56 56 VAL CG2 C 21.352 0.25 1
565 56 56 VAL N N 119.278 0.06 1
566 57 57 ASN H H 9.170 0.015 1
567 57 57 ASN HA H 4.179 0.015 1
568 57 57 ASN HB2 H 3.209 0.015 1
569 57 57 ASN HB3 H 3.017 0.004 1
570 57 57 ASN HD21 H 7.530 0.001 1
571 57 57 ASN HD22 H 6.653 0.010 1
572 57 57 ASN C C 174.451 0.25 1
573 57 57 ASN CA C 56.307 0.25 1
574 57 57 ASN CB C 37.287 0.25 1
575 57 57 ASN N N 120.108 0.06 1
576 57 57 ASN ND2 N 112.715 0.06 1
577 58 58 ASP H H 7.915 0.015 1
578 58 58 ASP HA H 4.411 0.003 1
579 58 58 ASP HB2 H 2.594 0.015 1
580 58 58 ASP HB3 H 2.498 0.015 1
581 58 58 ASP C C 174.894 0.25 1
582 58 58 ASP CA C 55.022 0.25 1
583 58 58 ASP CB C 40.885 0.25 1
584 58 58 ASP N N 121.355 0.06 1
585 59 59 LEU H H 8.946 0.015 1
586 59 59 LEU HA H 4.152 0.002 1
587 59 59 LEU HB2 H 1.450 0.008 1
588 59 59 LEU HB3 H 1.030 0.004 1
589 59 59 LEU HG H 0.764 0.015 1
590 59 59 LEU HD1 H 0.419 0.002 2
591 59 59 LEU HD2 H 0.021 0.001 2
592 59 59 LEU C C 176.571 0.25 1
593 59 59 LEU CA C 53.480 0.25 1
594 59 59 LEU CB C 44.484 0.25 1
595 59 59 LEU CG C 26.749 0.25 1
596 59 59 LEU CD1 C 26.749 0.25 1
597 59 59 LEU CD2 C 22.380 0.25 1
598 59 59 LEU N N 122.346 0.06 1
599 60 60 LEU H H 8.880 0.015 1
600 60 60 LEU HA H 4.346 0.005 1
601 60 60 LEU HB2 H 1.668 0.001 1
602 60 60 LEU HB3 H 0.813 0.015 1
603 60 60 LEU HG H 1.311 0.002 1
604 60 60 LEU HD1 H 0.495 0.001 2
605 60 60 LEU HD2 H 0.326 0.015 2
606 60 60 LEU C C 174.504 0.25 1
607 60 60 LEU CA C 53.480 0.25 1
608 60 60 LEU CB C 41.400 0.25 1
609 60 60 LEU CG C 26.492 0.25 1
610 60 60 LEU CD1 C 26.235 0.25 1
611 60 60 LEU CD2 C 23.408 0.25 1
612 60 60 LEU N N 124.874 0.06 1
613 61 61 VAL H H 8.195 0.015 1
614 61 61 VAL HA H 3.623 0.004 1
615 61 61 VAL HB H 1.466 0.001 1
616 61 61 VAL HG1 H 0.513 0.015 2
617 61 61 VAL HG2 H 0.659 0.001 2
618 61 61 VAL C C 176.845 0.25 1
619 61 61 VAL CA C 64.532 0.25 1
620 61 61 VAL CB C 32.404 0.25 1
621 61 61 VAL CG1 C 21.866 0.25 1
622 61 61 VAL CG2 C 21.095 0.25 1
623 61 61 VAL N N 124.409 0.06 1
624 62 62 GLU H H 7.645 0.015 1
625 62 62 GLU HA H 4.111 0.001 1
626 62 62 GLU HB2 H 1.937 0.001 1
627 62 62 GLU HB3 H 1.833 0.001 1
628 62 62 GLU HG2 H 2.208 0.001 1
629 62 62 GLU HG3 H 2.208 0.001 1
630 62 62 GLU C C 174.841 0.25 1
631 62 62 GLU CA C 55.022 0.25 1
632 62 62 GLU CB C 35.745 0.25 1
633 62 62 GLU CG C 36.773 0.25 1
634 62 62 GLU N N 118.103 0.06 1
635 63 63 VAL H H 8.306 0.015 1
636 63 63 VAL HA H 4.311 0.005 1
637 63 63 VAL HB H 1.478 0.001 1
638 63 63 VAL HG1 H 0.505 0.003 2
639 63 63 VAL HG2 H 0.271 0.015 2
640 63 63 VAL C C 174.672 0.25 1
641 63 63 VAL CA C 60.676 0.25 1
642 63 63 VAL CB C 34.460 0.25 1
643 63 63 VAL CG1 C 22.123 0.25 1
644 63 63 VAL CG2 C 20.581 0.25 1
645 63 63 VAL N N 121.718 0.06 1
646 64 64 ASP H H 9.599 0.015 1
647 64 64 ASP HA H 4.126 0.001 1
648 64 64 ASP HB2 H 2.783 0.015 1
649 64 64 ASP HB3 H 2.351 0.015 1
650 64 64 ASP C C 176.096 0.25 1
651 64 64 ASP CA C 55.536 0.25 1
652 64 64 ASP CB C 39.857 0.25 1
653 64 64 ASP N N 128.765 0.06 1
654 65 65 GLY H H 8.399 0.015 1
655 65 65 GLY HA2 H 3.990 0.003 1
656 65 65 GLY HA3 H 3.449 0.002 1
657 65 65 GLY C C 174.124 0.25 1
658 65 65 GLY CA C 45.512 0.25 1
659 65 65 GLY N N 103.874 0.06 1
660 66 66 THR H H 8.299 0.015 1
661 66 66 THR HA H 4.178 0.015 1
662 66 66 THR HB H 4.085 0.015 1
663 66 66 THR HG2 H 1.064 0.001 1
664 66 66 THR C C 173.480 0.25 1
665 66 66 THR CA C 62.218 0.25 1
666 66 66 THR CB C 69.158 0.25 1
667 66 66 THR CG2 C 21.609 0.25 1
668 66 66 THR N N 120.011 0.06 1
669 67 67 SER H H 8.823 0.015 1
670 67 67 SER HA H 4.268 0.015 1
671 67 67 SER HB2 H 3.759 0.001 1
672 67 67 SER HB3 H 3.695 0.001 1
673 67 67 SER C C 175.263 0.25 1
674 67 67 SER CA C 58.620 0.25 1
675 67 67 SER CB C 63.504 0.25 1
676 67 67 SER N N 121.690 0.06 1
677 68 68 LEU H H 8.237 0.015 1
678 68 68 LEU HA H 4.660 0.015 1
679 68 68 LEU HB2 H 1.602 0.002 1
680 68 68 LEU HB3 H 1.351 0.002 1
681 68 68 LEU HG H 1.347 0.001 1
682 68 68 LEU HD1 H 0.609 0.003 2
683 68 68 LEU HD2 H 0.725 0.002 2
684 68 68 LEU C C 175.790 0.25 1
685 68 68 LEU CA C 52.966 0.25 1
686 68 68 LEU CB C 40.371 0.25 1
687 68 68 LEU CG C 27.263 0.25 1
688 68 68 LEU CD1 C 26.492 0.25 1
689 68 68 LEU CD2 C 23.665 0.25 1
690 68 68 LEU N N 125.444 0.06 1
691 69 69 VAL H H 7.974 0.015 1
692 69 69 VAL HA H 3.734 0.002 1
693 69 69 VAL HB H 2.079 0.015 1
694 69 69 VAL HG1 H 0.544 0.015 2
695 69 69 VAL HG2 H 0.620 0.015 2
696 69 69 VAL C C 178.132 0.25 1
697 69 69 VAL CA C 63.504 0.25 1
698 69 69 VAL CB C 31.633 0.25 1
699 69 69 VAL CG1 C 22.380 0.25 1
700 69 69 VAL CG2 C 21.609 0.25 1
701 69 69 VAL N N 124.874 0.06 1
702 70 70 GLY H H 8.522 0.015 1
703 70 70 GLY HA2 H 3.840 0.005 1
704 70 70 GLY HA3 H 3.677 0.003 1
705 70 70 GLY C C 174.303 0.25 1
706 70 70 GLY CA C 46.540 0.25 1
707 70 70 GLY N N 117.673 0.06 1
708 71 71 VAL H H 7.011 0.015 1
709 71 71 VAL HA H 4.542 0.002 1
710 71 71 VAL HB H 2.145 0.015 1
711 71 71 VAL HG1 H 0.455 0.001 2
712 71 71 VAL HG2 H 0.845 0.015 2
713 71 71 VAL C C 174.936 0.25 1
714 71 71 VAL CA C 58.620 0.25 1
715 71 71 VAL CB C 33.689 0.25 1
716 71 71 VAL CG1 C 20.838 0.25 1
717 71 71 VAL CG2 C 17.753 0.25 1
718 71 71 VAL N N 111.201 0.06 1
719 72 72 THR H H 7.903 0.015 1
720 72 72 THR HA H 4.286 0.007 1
721 72 72 THR HB H 4.627 0.002 1
722 72 72 THR HG2 H 1.204 0.001 1
723 72 72 THR C C 175.769 0.25 1
724 72 72 THR CA C 60.419 0.25 1
725 72 72 THR CB C 71.214 0.25 1
726 72 72 THR CG2 C 21.866 0.25 1
727 72 72 THR N N 108.217 0.06 1
728 73 73 GLN H H 9.066 0.015 1
729 73 73 GLN HA H 3.712 0.001 1
730 73 73 GLN HB2 H 1.993 0.001 1
731 73 73 GLN HB3 H 1.993 0.001 1
732 73 73 GLN HG2 H 2.302 0.015 1
733 73 73 GLN HG3 H 2.085 0.015 1
734 73 73 GLN HE21 H 7.517 0.001 1
735 73 73 GLN HE22 H 6.785 0.015 1
736 73 73 GLN C C 177.984 0.25 1
737 73 73 GLN CA C 59.905 0.25 1
738 73 73 GLN CB C 28.034 0.25 1
739 73 73 GLN CG C 34.203 0.25 1
740 73 73 GLN N N 121.273 0.06 1
741 73 73 GLN NE2 N 111.740 0.06 1
742 74 74 SER H H 8.452 0.015 1
743 74 74 SER HA H 4.028 0.015 1
744 74 74 SER HB2 H 3.872 0.001 1
745 74 74 SER HB3 H 3.792 0.001 1
746 74 74 SER C C 177.404 0.25 1
747 74 74 SER CA C 62.218 0.25 1
748 74 74 SER CB C 62.218 0.25 1
749 74 74 SER N N 113.075 0.06 1
750 75 75 PHE H H 7.965 0.015 1
751 75 75 PHE HA H 4.070 0.004 1
752 75 75 PHE HB2 H 3.044 0.001 1
753 75 75 PHE HB3 H 3.044 0.001 1
754 75 75 PHE HD1 H 6.951 0.015 1
755 75 75 PHE HD2 H 6.951 0.015 1
756 75 75 PHE HE1 H 7.141 0.004 1
757 75 75 PHE HE2 H 7.141 0.004 1
758 75 75 PHE C C 178.100 0.25 1
759 75 75 PHE CA C 61.447 0.25 1
760 75 75 PHE CB C 39.343 0.25 1
761 75 75 PHE N N 124.986 0.06 1
762 76 76 ALA H H 8.301 0.015 1
763 76 76 ALA HA H 3.590 0.001 1
764 76 76 ALA HB H 1.315 0.004 1
765 76 76 ALA C C 176.191 0.25 1
766 76 76 ALA CA C 55.022 0.25 1
767 76 76 ALA CB C 18.782 0.25 1
768 76 76 ALA N N 121.670 0.06 1
769 77 77 ALA H H 8.697 0.015 1
770 77 77 ALA HA H 3.843 0.015 1
771 77 77 ALA HB H 1.382 0.003 1
772 77 77 ALA C C 180.790 0.25 1
773 77 77 ALA CA C 55.022 0.25 1
774 77 77 ALA CB C 17.239 0.25 1
775 77 77 ALA N N 118.681 0.06 1
776 78 78 SER H H 7.568 0.015 1
777 78 78 SER HA H 3.767 0.015 1
778 78 78 SER HB2 H 3.940 0.015 1
779 78 78 SER HB3 H 3.940 0.015 1
780 78 78 SER C C 175.906 0.25 1
781 78 78 SER CA C 61.447 0.25 1
782 78 78 SER CB C 62.475 0.25 1
783 78 78 SER N N 115.622 0.06 1
784 79 79 VAL H H 7.569 0.015 1
785 79 79 VAL HA H 3.319 0.003 1
786 79 79 VAL HB H 1.836 0.001 1
787 79 79 VAL HG1 H 0.303 0.015 2
788 79 79 VAL HG2 H 0.587 0.015 2
789 79 79 VAL C C 179.640 0.25 1
790 79 79 VAL CA C 66.074 0.25 1
791 79 79 VAL CB C 31.376 0.25 1
792 79 79 VAL CG1 C 23.151 0.25 1
793 79 79 VAL CG2 C 20.838 0.25 1
794 79 79 VAL N N 123.083 0.06 1
795 80 80 LEU H H 8.019 0.015 1
796 80 80 LEU HA H 3.741 0.001 1
797 80 80 LEU HB2 H 1.710 0.001 1
798 80 80 LEU HB3 H 1.367 0.015 1
799 80 80 LEU HG H 1.591 0.002 1
800 80 80 LEU HD1 H 0.684 0.001 2
801 80 80 LEU HD2 H 0.674 0.015 2
802 80 80 LEU C C 180.126 0.25 1
803 80 80 LEU CA C 58.106 0.25 1
804 80 80 LEU CB C 40.885 0.25 1
805 80 80 LEU CG C 27.777 0.25 1
806 80 80 LEU CD1 C 23.665 0.25 1
807 80 80 LEU CD2 C 25.207 0.25 1
808 80 80 LEU N N 118.096 0.06 1
809 81 81 ARG HA H 3.977 0.001 1
810 81 81 ARG HB2 H 1.847 0.001 1
811 81 81 ARG HB3 H 1.755 0.002 1
812 81 81 ARG HG2 H 1.602 0.001 1
813 81 81 ARG HG3 H 1.514 0.001 1
814 81 81 ARG HD2 H 3.115 0.015 1
815 81 81 ARG HD3 H 3.088 0.001 1
816 81 81 ARG CA C 58.877 0.25 1
817 81 81 ARG CB C 30.091 0.25 1
818 81 81 ARG CG C 27.520 0.25 1
819 81 81 ARG CD C 43.456 0.25 1
820 82 82 ASN H H 7.259 0.015 1
821 82 82 ASN HA H 4.642 0.015 1
822 82 82 ASN HB2 H 2.841 0.015 1
823 82 82 ASN HB3 H 2.529 0.015 1
824 82 82 ASN HD21 H 7.420 0.015 1
825 82 82 ASN HD22 H 6.726 0.002 1
826 82 82 ASN CA C 53.480 0.25 1
827 82 82 ASN CB C 39.086 0.25 1
828 82 82 ASN N N 116.285 0.06 1
829 82 82 ASN ND2 N 113.203 0.06 1
830 83 83 THR H H 6.955 0.015 1
831 83 83 THR HA H 4.068 0.007 1
832 83 83 THR HB H 4.200 0.007 1
833 83 83 THR HG2 H 1.216 0.005 1
834 83 83 THR C C 174.968 0.25 1
835 83 83 THR CA C 61.447 0.25 1
836 83 83 THR CB C 71.985 0.25 1
837 83 83 THR CG2 C 22.380 0.25 1
838 83 83 THR N N 110.205 0.06 1
839 84 84 LYS H H 8.772 0.015 1
840 84 84 LYS HA H 4.359 0.015 1
841 84 84 LYS HB2 H 1.815 0.008 1
842 84 84 LYS HB3 H 1.637 0.001 1
843 84 84 LYS HG2 H 1.337 0.001 1
844 84 84 LYS HG3 H 1.273 0.002 1
845 84 84 LYS HD2 H 1.517 0.006 1
846 84 84 LYS HD3 H 1.517 0.006 1
847 84 84 LYS HE2 H 2.859 0.003 1
848 84 84 LYS HE3 H 2.859 0.003 1
849 84 84 LYS C C 175.316 0.25 1
850 84 84 LYS CA C 55.279 0.25 1
851 84 84 LYS CB C 32.918 0.25 1
852 84 84 LYS CG C 24.436 0.25 1
853 84 84 LYS CD C 28.805 0.25 1
854 84 84 LYS CE C 42.685 0.25 1
855 84 84 LYS N N 121.713 0.06 1
856 85 85 GLY H H 8.234 0.015 1
857 85 85 GLY HA2 H 3.667 0.004 1
858 85 85 GLY HA3 H 3.583 0.005 1
859 85 85 GLY C C 172.964 0.25 1
860 85 85 GLY CA C 47.054 0.25 1
861 85 85 GLY N N 108.140 0.06 1
862 86 86 ARG H H 7.591 0.015 1
863 86 86 ARG HA H 4.665 0.001 1
864 86 86 ARG HB2 H 1.557 0.004 1
865 86 86 ARG HB3 H 1.557 0.004 1
866 86 86 ARG HG2 H 1.304 0.002 1
867 86 86 ARG HG3 H 1.204 0.002 1
868 86 86 ARG HD2 H 3.012 0.001 1
869 86 86 ARG HD3 H 3.012 0.001 1
870 86 86 ARG C C 175.611 0.25 1
871 86 86 ARG CA C 55.279 0.25 1
872 86 86 ARG CB C 30.862 0.25 1
873 86 86 ARG CG C 27.777 0.25 1
874 86 86 ARG CD C 43.456 0.25 1
875 86 86 ARG N N 122.137 0.06 1
876 87 87 VAL H H 9.102 0.015 1
877 87 87 VAL HA H 4.235 0.015 1
878 87 87 VAL HB H 1.583 0.015 1
879 87 87 VAL HG1 H 0.722 0.015 2
880 87 87 VAL HG2 H 0.169 0.001 2
881 87 87 VAL C C 173.945 0.25 1
882 87 87 VAL CA C 61.190 0.25 1
883 87 87 VAL CB C 34.460 0.25 1
884 87 87 VAL CG1 C 22.380 0.25 1
885 87 87 VAL CG2 C 22.637 0.25 1
886 87 87 VAL N N 128.353 0.06 1
887 88 88 ARG HA H 4.655 0.001 1
888 88 88 ARG HB2 H 1.554 0.005 1
889 88 88 ARG HB3 H 1.554 0.005 1
890 88 88 ARG HG2 H 1.419 0.015 1
891 88 88 ARG HG3 H 1.419 0.015 1
892 88 88 ARG HD2 H 3.053 0.003 1
893 88 88 ARG HD3 H 3.053 0.003 1
894 88 88 ARG C C 175.179 0.25 1
895 88 88 ARG CA C 55.279 0.25 1
896 88 88 ARG CB C 31.376 0.25 1
897 88 88 ARG CG C 28.034 0.25 1
898 88 88 ARG CD C 43.456 0.25 1
899 88 88 ARG N N 126.465 0.06 1
900 89 89 PHE H H 9.445 0.015 1
901 89 89 PHE HA H 5.269 0.003 1
902 89 89 PHE HB2 H 2.840 0.008 1
903 89 89 PHE HB3 H 2.716 0.002 1
904 89 89 PHE HD1 H 7.021 0.001 1
905 89 89 PHE HD2 H 7.021 0.001 1
906 89 89 PHE HE1 H 6.793 0.001 1
907 89 89 PHE HE2 H 6.793 0.001 1
908 89 89 PHE C C 177.562 0.25 1
909 89 89 PHE CA C 56.564 0.25 1
910 89 89 PHE CB C 43.199 0.25 1
911 89 89 PHE N N 122.951 0.06 1
912 90 90 MET H H 8.362 0.015 1
913 90 90 MET HA H 4.906 0.001 1
914 90 90 MET HB2 H 2.314 0.001 1
915 90 90 MET HB3 H 2.074 0.015 1
916 90 90 MET HG2 H 1.633 0.015 1
917 90 90 MET HG3 H 1.633 0.015 1
918 90 90 MET C C 173.776 0.25 1
919 90 90 MET CA C 55.279 0.25 1
920 90 90 MET CB C 31.119 0.25 1
921 90 90 MET CG C 32.918 0.25 1
922 90 90 MET N N 120.015 0.06 1
923 91 91 ILE H H 8.666 0.015 1
924 91 91 ILE HA H 4.659 0.015 1
925 91 91 ILE HB H 0.791 0.015 1
926 91 91 ILE HG12 H 0.788 0.001 1
927 91 91 ILE HG13 H 1.039 0.002 1
928 91 91 ILE HG2 H 0.513 0.015 1
929 91 91 ILE HD1 H 0.317 0.001 1
930 91 91 ILE C C 173.934 0.25 1
931 91 91 ILE CA C 56.821 0.25 1
932 91 91 ILE CB C 37.287 0.25 1
933 91 91 ILE CG1 C 27.520 0.25 1
934 91 91 ILE CG2 C 18.782 0.25 1
935 91 91 ILE CD1 C 11.328 0.25 1
936 91 91 ILE N N 128.827 0.06 1
937 92 92 GLY H H 9.267 0.015 1
938 92 92 GLY HA2 H 5.321 0.012 1
939 92 92 GLY HA3 H 3.073 0.006 1
940 92 92 GLY C C 172.088 0.25 1
941 92 92 GLY CA C 43.970 0.25 1
942 92 92 GLY N N 110.596 0.06 1
943 93 93 ARG H H 8.839 0.015 1
944 93 93 ARG HA H 4.752 0.001 1
945 93 93 ARG HB2 H 1.762 0.003 1
946 93 93 ARG HB3 H 1.563 0.004 1
947 93 93 ARG HG2 H 1.549 0.001 1
948 93 93 ARG HG3 H 1.549 0.001 1
949 93 93 ARG HD2 H 3.016 0.003 1
950 93 93 ARG HD3 H 3.016 0.003 1
951 93 93 ARG C C 175.305 0.25 1
952 93 93 ARG CA C 55.022 0.25 1
953 93 93 ARG CB C 31.890 0.25 1
954 93 93 ARG CG C 26.235 0.25 1
955 93 93 ARG CD C 43.456 0.25 1
956 93 93 ARG N N 125.052 0.06 1
957 94 94 GLU H H 8.776 0.015 1
958 94 94 GLU HA H 4.360 0.001 1
959 94 94 GLU HB2 H 1.816 0.001 1
960 94 94 GLU HB3 H 1.816 0.001 1
961 94 94 GLU HG2 H 2.113 0.015 1
962 94 94 GLU HG3 H 2.008 0.001 1
963 94 94 GLU C C 176.096 0.25 1
964 94 94 GLU CA C 56.821 0.25 1
965 94 94 GLU CB C 30.605 0.25 1
966 94 94 GLU CG C 36.259 0.25 1
967 94 94 GLU N N 128.936 0.06 1
968 95 95 ARG H H 8.669 0.015 1
969 95 95 ARG HA H 4.573 0.007 1
970 95 95 ARG HB2 H 1.727 0.002 1
971 95 95 ARG HB3 H 1.421 0.002 1
972 95 95 ARG HG2 H 1.563 0.004 1
973 95 95 ARG HG3 H 1.563 0.004 1
974 95 95 ARG HD2 H 3.050 0.004 1
975 95 95 ARG HD3 H 3.050 0.004 1
976 95 95 ARG C C 174.071 0.25 1
977 95 95 ARG CA C 52.966 0.25 1
978 95 95 ARG CB C 30.605 0.25 1
979 95 95 ARG CG C 27.263 0.25 1
980 95 95 ARG CD C 43.199 0.25 1
981 95 95 ARG N N 126.208 0.06 1
982 96 96 PRO HA H 4.333 0.007 1
983 96 96 PRO HB2 H 2.197 0.015 1
984 96 96 PRO HB3 H 1.807 0.001 1
985 96 96 PRO HG2 H 1.908 0.001 1
986 96 96 PRO HG3 H 1.908 0.001 1
987 96 96 PRO HD2 H 3.740 0.007 1
988 96 96 PRO HD3 H 3.517 0.007 1
989 96 96 PRO CA C 63.246 0.25 1
990 96 96 PRO CB C 31.890 0.25 1
991 96 96 PRO CG C 27.520 0.25 1
992 96 96 PRO CD C 50.652 0.25 1
993 97 97 GLY H H 8.422 0.015 1
994 97 97 GLY HA2 H 3.861 0.008 1
995 97 97 GLY HA3 H 3.861 0.008 1
996 97 97 GLY C C 174.198 0.25 1
997 97 97 GLY CA C 44.998 0.25 1
998 97 97 GLY N N 109.092 0.06 1
999 98 98 GLU H H 8.238 0.015 1
1000 98 98 GLU HA H 4.189 0.001 1
1001 98 98 GLU HB2 H 1.952 0.015 1
1002 98 98 GLU HB3 H 1.858 0.002 1
1003 98 98 GLU HG2 H 2.172 0.001 1
1004 98 98 GLU HG3 H 2.082 0.001 1
1005 98 98 GLU C C 176.624 0.25 1
1006 98 98 GLU CA C 56.307 0.25 1
1007 98 98 GLU CB C 30.348 0.25 1
1008 98 98 GLU CG C 35.745 0.25 1
1009 98 98 GLU N N 120.660 0.06 1
1010 99 99 GLN H H 8.442 0.015 1
1011 99 99 GLN HA H 4.189 0.007 1
1012 99 99 GLN HB2 H 1.977 0.001 1
1013 99 99 GLN HB3 H 1.823 0.001 1
1014 99 99 GLN HG2 H 2.246 0.001 1
1015 99 99 GLN HG3 H 2.168 0.015 1
1016 99 99 GLN C C 175.917 0.25 1
1017 99 99 GLN CA C 56.050 0.25 1
1018 99 99 GLN CB C 29.319 0.25 1
1019 99 99 GLN CG C 33.689 0.25 1
1020 99 99 GLN N N 121.343 0.06 1
1021 100 100 SER H H 8.340 0.015 1
1022 100 100 SER HA H 4.275 0.015 1
1023 100 100 SER HB2 H 3.751 0.015 1
1024 100 100 SER HB3 H 3.686 0.001 1
1025 100 100 SER C C 174.693 0.25 1
1026 100 100 SER CA C 58.620 0.25 1
1027 100 100 SER CB C 63.761 0.25 1
1028 100 100 SER N N 117.671 0.06 1
1029 101 101 GLU H H 8.519 0.015 1
1030 101 101 GLU HA H 4.123 0.001 1
1031 101 101 GLU HB2 H 1.916 0.001 1
1032 101 101 GLU HB3 H 1.806 0.001 1
1033 101 101 GLU HG2 H 2.138 0.015 1
1034 101 101 GLU HG3 H 2.059 0.015 1
1035 101 101 GLU C C 176.845 0.25 1
1036 101 101 GLU CA C 56.821 0.25 1
1037 101 101 GLU CB C 30.091 0.25 1
1038 101 101 GLU CG C 36.259 0.25 1
1039 101 101 GLU N N 123.519 0.06 1
1040 102 102 VAL H H 8.033 0.015 1
1041 102 102 VAL HA H 3.844 0.005 1
1042 102 102 VAL HB H 1.764 0.002 1
1043 102 102 VAL HG1 H 0.933 0.002 2
1044 102 102 VAL HG2 H 0.751 0.003 2
1045 102 102 VAL C C 176.181 0.25 1
1046 102 102 VAL CA C 63.246 0.25 1
1047 102 102 VAL CB C 31.633 0.25 1
1048 102 102 VAL CG1 C 21.352 0.25 1
1049 102 102 VAL CG2 C 20.581 0.25 1
1050 102 102 VAL N N 121.068 0.06 1
1051 103 103 ALA H H 8.199 0.015 1
1052 103 103 ALA HA H 4.076 0.005 1
1053 103 103 ALA HB H 1.240 0.015 1
1054 103 103 ALA C C 178.058 0.25 1
1055 103 103 ALA CA C 53.223 0.25 1
1056 103 103 ALA CB C 18.782 0.25 1
1057 103 103 ALA N N 126.696 0.06 1
1058 104 104 GLN H H 8.099 0.015 1
1059 104 104 GLN HA H 4.201 0.003 1
1060 104 104 GLN HB2 H 1.968 0.015 1
1061 104 104 GLN HB3 H 1.852 0.015 1
1062 104 104 GLN HG2 H 2.248 0.015 1
1063 104 104 GLN HG3 H 2.173 0.015 1
1064 104 104 GLN C C 176.181 0.25 1
1065 104 104 GLN CA C 56.050 0.25 1
1066 104 104 GLN CB C 29.319 0.25 1
1067 104 104 GLN CG C 33.689 0.25 1
1068 104 104 GLN N N 119.139 0.06 1
1069 105 105 LEU H H 8.058 0.015 1
1070 105 105 LEU HA H 4.144 0.015 1
1071 105 105 LEU HB2 H 1.523 0.001 1
1072 105 105 LEU HB3 H 1.421 0.002 1
1073 105 105 LEU HG H 1.475 0.001 1
1074 105 105 LEU HD1 H 0.699 0.015 2
1075 105 105 LEU HD2 H 0.756 0.002 2
1076 105 105 LEU C C 177.584 0.25 1
1077 105 105 LEU CA C 55.793 0.25 1
1078 105 105 LEU CB C 42.171 0.25 1
1079 105 105 LEU CG C 27.006 0.25 1
1080 105 105 LEU CD1 C 23.408 0.25 1
1081 105 105 LEU CD2 C 24.436 0.25 1
1082 105 105 LEU N N 123.256 0.06 1
1083 106 106 ILE H H 8.037 0.015 1
1084 106 106 ILE HA H 3.905 0.015 1
1085 106 106 ILE HB H 1.700 0.001 1
1086 106 106 ILE HG12 H 1.342 0.015 1
1087 106 106 ILE HG13 H 0.995 0.001 1
1088 106 106 ILE HG2 H 0.727 0.015 1
1089 106 106 ILE HD1 H 0.676 0.015 1
1090 106 106 ILE C C 176.465 0.25 1
1091 106 106 ILE CA C 61.447 0.25 1
1092 106 106 ILE CB C 38.315 0.25 1
1093 106 106 ILE CG1 C 27.520 0.25 1
1094 106 106 ILE CG2 C 17.239 0.25 1
1095 106 106 ILE CD1 C 12.613 0.25 1
1096 106 106 ILE N N 121.948 0.06 1
1097 107 107 GLN H H 8.262 0.015 1
1098 107 107 GLN HA H 4.120 0.015 1
1099 107 107 GLN HB2 H 1.936 0.015 1
1100 107 107 GLN HB3 H 1.835 0.001 1
1101 107 107 GLN HG2 H 2.243 0.015 1
1102 107 107 GLN HG3 H 2.167 0.001 1
1103 107 107 GLN C C 176.012 0.25 1
1104 107 107 GLN CA C 56.307 0.25 1
1105 107 107 GLN CB C 28.805 0.25 1
1106 107 107 GLN CG C 33.689 0.25 1
1107 107 107 GLN N N 124.104 0.06 1
1108 108 108 GLN HA H 4.108 0.002 1
1109 108 108 GLN HB2 H 1.934 0.015 1
1110 108 108 GLN HB3 H 1.841 0.015 1
1111 108 108 GLN HG2 H 2.258 0.015 1
1112 108 108 GLN HG3 H 2.171 0.015 1
1113 108 108 GLN CA C 56.050 0.25 1
1114 108 108 GLN CB C 30.091 0.25 1
1115 108 108 GLN CG C 33.689 0.25 1
1116 109 109 THR H H 8.118 0.015 1
1117 109 109 THR HA H 4.155 0.007 1
1118 109 109 THR HB H 4.059 0.015 1
1119 109 109 THR HG2 H 1.061 0.015 1
1120 109 109 THR C C 174.472 0.25 1
1121 109 109 THR CA C 62.218 0.25 1
1122 109 109 THR CB C 69.672 0.25 1
1123 109 109 THR CG2 C 21.609 0.25 1
1124 109 109 THR N N 116.157 0.06 1
1125 110 110 LEU H H 8.174 0.015 1
1126 110 110 LEU HA H 4.200 0.015 1
1127 110 110 LEU HB2 H 1.533 0.001 1
1128 110 110 LEU HB3 H 1.421 0.002 1
1129 110 110 LEU HG H 1.476 0.015 1
1130 110 110 LEU HD1 H 0.757 0.002 2
1131 110 110 LEU HD2 H 0.707 0.001 2
1132 110 110 LEU C C 177.309 0.25 1
1133 110 110 LEU CA C 55.279 0.25 1
1134 110 110 LEU CB C 42.171 0.25 1
1135 110 110 LEU CG C 26.749 0.25 1
1136 110 110 LEU CD1 C 25.207 0.25 1
1137 110 110 LEU CD2 C 23.665 0.25 1
1138 110 110 LEU N N 124.717 0.06 1
1139 111 111 GLU H H 8.253 0.015 1
1140 111 111 GLU HA H 4.111 0.015 1
1141 111 111 GLU HB2 H 1.937 0.001 1
1142 111 111 GLU HB3 H 1.840 0.015 1
1143 111 111 GLU HG2 H 2.148 0.015 1
1144 111 111 GLU HG3 H 2.068 0.015 1
1145 111 111 GLU C C 176.149 0.25 1
1146 111 111 GLU CA C 56.307 0.25 1
1147 111 111 GLU CB C 30.091 0.25 1
1148 111 111 GLU CG C 36.259 0.25 1
1149 111 111 GLU N N 121.667 0.06 1
1150 112 112 GLN H H 8.198 0.015 1
1151 112 112 GLN HA H 4.212 0.015 1
1152 112 112 GLN HB2 H 1.971 0.015 1
1153 112 112 GLN HB3 H 1.855 0.015 1
1154 112 112 GLN HG2 H 2.252 0.015 1
1155 112 112 GLN HG3 H 2.173 0.015 1
1156 112 112 GLN C C 174.957 0.25 1
1157 112 112 GLN CA C 56.050 0.25 1
1158 112 112 GLN CB C 28.805 0.25 1
1159 112 112 GLN CG C 33.689 0.25 1
1160 112 112 GLN N N 121.601 0.06 1
1161 113 113 GLU H H 8.010 0.015 1
1162 113 113 GLU HA H 3.964 0.001 1
1163 113 113 GLU HB2 H 1.901 0.015 1
1164 113 113 GLU HB3 H 1.754 0.001 1
1165 113 113 GLU HG2 H 2.101 0.001 1
1166 113 113 GLU HG3 H 2.018 0.002 1
1167 113 113 GLU CA C 58.106 0.25 1
1168 113 113 GLU CB C 30.091 0.25 1
1169 113 113 GLU CG C 36.516 0.25 1
1170 113 113 GLU N N 128.098 0.06 1
stop_
save_