data_6198
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone 1H, 13C, and 15N Chemical Shift Assignments for TM1816
;
_BMRB_accession_number 6198
_BMRB_flat_file_name bmr6198.str
_Entry_type original
_Submission_date 2004-04-27
_Accession_date 2004-05-04
_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 Columbus Linda . .
2 Peti Wolfgang . .
3 Herrmann Torsten . .
4 Etazady Touraj . .
5 Klock Heath . .
6 Lesley Scott . .
7 Wuthrich Kurt . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 578
"13C chemical shifts" 461
"15N chemical shifts" 104
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2005-08-22 original author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
5560 'homologous T. maritima protein TM1290'
stop_
_Original_release_date 2005-08-22
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR structure determination of the conserved hypothetical protein TM1816 from Thermotoga maritima'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 15937903
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Columbus Linda . .
2 Peti Wolfgang . .
3 Etezady-Esfarjani Touraj . .
4 Herrmann Torsten . .
5 Wuthrich Kurt . .
stop_
_Journal_abbreviation Proteins
_Journal_volume 60
_Journal_issue 3
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 552
_Page_last 557
_Year 2005
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_TM1816
_Saveframe_category molecular_system
_Mol_system_name 'TM1816 monomer'
_Abbreviation_common 'LEKTI Domain 15 short'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'TM1816 polypeptide' $TM1816
stop_
_System_molecular_weight 12810
_System_physical_state native
_System_oligomer_state protein
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_TM1816
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common TM1816
_Name_variant TM1816
_Abbreviation_common TM1816
_Molecular_mass 12810
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 124
_Mol_residue_sequence
;
MIIAIPVSENRGKDSPISEH
FGRAPYFAFVKVKNNAIADI
SVEENPLAQDHVHGAVPNFV
KEKGAELVIVRGIGRRAIAA
FEAMGVKVIKGASGTVEEVV
NQYLSGQLKDSDYEVHDHHH
HEHH
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 MET 2 2 ILE 3 3 ILE 4 4 ALA 5 5 ILE
6 6 PRO 7 7 VAL 8 8 SER 9 9 GLU 10 10 ASN
11 11 ARG 12 12 GLY 13 13 LYS 14 14 ASP 15 15 SER
16 16 PRO 17 17 ILE 18 18 SER 19 19 GLU 20 20 HIS
21 21 PHE 22 22 GLY 23 23 ARG 24 24 ALA 25 25 PRO
26 26 TYR 27 27 PHE 28 28 ALA 29 29 PHE 30 30 VAL
31 31 LYS 32 32 VAL 33 33 LYS 34 34 ASN 35 35 ASN
36 36 ALA 37 37 ILE 38 38 ALA 39 39 ASP 40 40 ILE
41 41 SER 42 42 VAL 43 43 GLU 44 44 GLU 45 45 ASN
46 46 PRO 47 47 LEU 48 48 ALA 49 49 GLN 50 50 ASP
51 51 HIS 52 52 VAL 53 53 HIS 54 54 GLY 55 55 ALA
56 56 VAL 57 57 PRO 58 58 ASN 59 59 PHE 60 60 VAL
61 61 LYS 62 62 GLU 63 63 LYS 64 64 GLY 65 65 ALA
66 66 GLU 67 67 LEU 68 68 VAL 69 69 ILE 70 70 VAL
71 71 ARG 72 72 GLY 73 73 ILE 74 74 GLY 75 75 ARG
76 76 ARG 77 77 ALA 78 78 ILE 79 79 ALA 80 80 ALA
81 81 PHE 82 82 GLU 83 83 ALA 84 84 MET 85 85 GLY
86 86 VAL 87 87 LYS 88 88 VAL 89 89 ILE 90 90 LYS
91 91 GLY 92 92 ALA 93 93 SER 94 94 GLY 95 95 THR
96 96 VAL 97 97 GLU 98 98 GLU 99 99 VAL 100 100 VAL
101 101 ASN 102 102 GLN 103 103 TYR 104 104 LEU 105 105 SER
106 106 GLY 107 107 GLN 108 108 LEU 109 109 LYS 110 110 ASP
111 111 SER 112 112 ASP 113 113 TYR 114 114 GLU 115 115 VAL
116 116 HIS 117 117 ASP 118 118 HIS 119 119 HIS 120 120 HIS
121 121 HIS 122 122 GLU 123 123 HIS 124 124 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-12-21
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 1O13 "Crystal Structure Of A Putative Dinitrogenase Iron-Molybdenum Cofactor (Tm1816) From Thermotoga Maritima At 1.83 A Resolution" 99.19 136 99.19 99.19 1.06e-79
PDB 1T3V "The Nmr Solution Structure Of Tm1816" 100.00 124 100.00 100.00 2.26e-82
GB AAD36879 "conserved hypothetical protein [Thermotoga maritima MSB8]" 100.00 124 100.00 100.00 2.26e-82
GB ADA67099 "Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga naphthophila RKU-10]" 100.00 124 100.00 100.00 2.26e-82
GB AGL50750 "hypothetical protein Tmari_1826 [Thermotoga maritima MSB8]" 100.00 124 100.00 100.00 2.26e-82
GB AHD18291 "Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga maritima MSB8]" 100.00 124 100.00 100.00 2.26e-82
REF NP_229613 "hypothetical protein TM1816 [Thermotoga maritima MSB8]" 100.00 124 100.00 100.00 2.26e-82
REF WP_004082362 "MULTISPECIES: Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga]" 100.00 124 100.00 100.00 2.26e-82
REF YP_003346513 "Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga naphthophila RKU-10]" 100.00 124 100.00 100.00 2.26e-82
REF YP_007978175 "hypothetical protein Tmari_1826 [Thermotoga maritima MSB8]" 100.00 124 100.00 100.00 2.26e-82
REF YP_008991085 "Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga maritima MSB8]" 100.00 124 100.00 100.00 2.26e-82
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$TM1816 'Thermotoga maritima' 2336 Bacteria . Thermotoga maritima
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
$TM1816 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$TM1816 4.0 mM [U-15N]
'Na phosphate' 20 mM .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$TM1816 2.1 mM '[U-13C; U-15N]'
'Na phosphate' 20 mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_AVANCE_600
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_HNCACB_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_HNCACB
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6 0.01 pH
temperature 313 1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0.00 external direct . . . 0.101329118 $entry_citation $entry_citation
DSS C 13 'methyl protons' ppm 0.00 external direct . . . 0.251449530 $entry_citation $entry_citation
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_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'TM1816 polypeptide'
_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 1 MET CA C 54.351 0.2 1
2 1 1 MET HA H 4.228 0.05 1
3 1 1 MET CB C 34.257 0.2 1
4 1 1 MET HB2 H 2.195 0.05 2
5 1 1 MET HB3 H 1.971 0.05 2
6 1 1 MET CG C 30.403 0.2 1
7 1 1 MET HG2 H 2.373 0.05 2
8 1 1 MET HG3 H 2.339 0.05 2
9 1 1 MET C C 171.760 0.2 1
10 2 2 ILE N N 126.962 0.05 1
11 2 2 ILE H H 8.791 0.05 1
12 2 2 ILE CA C 59.581 0.2 1
13 2 2 ILE HA H 5.111 0.05 1
14 2 2 ILE CB C 38.111 0.2 1
15 2 2 ILE HB H 1.866 0.05 1
16 2 2 ILE HG2 H 0.770 0.05 1
17 2 2 ILE CG2 C 16.535 0.2 1
18 2 2 ILE CG1 C 27.376 0.2 1
19 2 2 ILE HG12 H 1.619 0.05 2
20 2 2 ILE HG13 H 1.022 0.05 2
21 2 2 ILE HD1 H 0.832 0.05 1
22 2 2 ILE CD1 C 11.580 0.2 1
23 2 2 ILE C C 174.037 0.2 1
24 3 3 ILE N N 129.097 0.05 1
25 3 3 ILE H H 9.202 0.05 1
26 3 3 ILE CA C 58.755 0.2 1
27 3 3 ILE HA H 4.843 0.05 1
28 3 3 ILE CB C 40.483 0.2 1
29 3 3 ILE HB H 1.459 0.05 1
30 3 3 ILE HG2 H 0.556 0.05 1
31 3 3 ILE CG2 C 15.815 0.2 1
32 3 3 ILE CG1 C 26.720 0.2 1
33 3 3 ILE HG12 H 1.579 0.05 2
34 3 3 ILE HG13 H 0.719 0.05 2
35 3 3 ILE HD1 H 0.602 0.05 1
36 3 3 ILE CD1 C 13.782 0.2 1
37 3 3 ILE C C 174.065 0.2 1
38 4 4 ALA N N 128.988 0.05 1
39 4 4 ALA H H 8.804 0.05 1
40 4 4 ALA CA C 48.846 0.2 1
41 4 4 ALA HA H 5.553 0.05 1
42 4 4 ALA HB H 1.097 0.05 1
43 4 4 ALA CB C 23.247 0.2 1
44 4 4 ALA C C 175.691 0.2 1
45 5 5 ILE N N 120.029 0.05 1
46 5 5 ILE H H 8.677 0.05 1
47 5 5 ILE CA C 57.104 0.2 1
48 5 5 ILE HA H 5.320 0.05 1
49 5 5 ILE CB C 43.891 0.2 1
50 5 5 ILE HB H 1.530 0.05 1
51 5 5 ILE HG2 H 0.806 0.05 1
52 5 5 ILE CG2 C 16.365 0.2 1
53 5 5 ILE CG1 C 27.651 0.2 1
54 5 5 ILE HG12 H 1.411 0.05 2
55 5 5 ILE HG13 H 1.038 0.05 2
56 5 5 ILE HD1 H 0.609 0.05 1
57 5 5 ILE CD1 C 15.539 0.2 1
58 6 6 PRO CD C 50.222 0.2 1
59 6 6 PRO CA C 61.403 0.2 1
60 6 6 PRO HA H 4.052 0.05 1
61 6 6 PRO CB C 31.504 0.2 1
62 6 6 PRO HB2 H 1.855 0.05 2
63 6 6 PRO HB3 H 1.735 0.05 2
64 6 6 PRO CG C 27.376 0.2 1
65 6 6 PRO HG2 H 2.678 0.05 2
66 6 6 PRO HG3 H 2.270 0.05 2
67 6 6 PRO HD2 H 4.895 0.05 2
68 6 6 PRO HD3 H 3.550 0.05 2
69 6 6 PRO C C 175.897 0.2 1
70 7 7 VAL N N 116.072 0.05 1
71 7 7 VAL H H 8.430 0.05 1
72 7 7 VAL CA C 58.480 0.2 1
73 7 7 VAL HA H 5.212 0.05 1
74 7 7 VAL CB C 35.358 0.2 1
75 7 7 VAL HB H 2.056 0.05 1
76 7 7 VAL HG1 H 0.500 0.05 2
77 7 7 VAL HG2 H 0.507 0.05 2
78 7 7 VAL CG1 C 21.595 0.2 1
79 7 7 VAL CG2 C 19.393 0.2 1
80 7 7 VAL C C 175.150 0.2 1
81 8 8 SER N N 112.730 0.05 1
82 8 8 SER H H 8.219 0.05 1
83 8 8 SER CA C 58.480 0.2 1
84 8 8 SER HA H 4.393 0.05 1
85 8 8 SER HB2 H 4.011 0.05 2
86 8 8 SER HB3 H 3.776 0.05 2
87 8 8 SER C C 173.283 0.2 1
88 9 9 GLU N N 116.706 0.05 1
89 9 9 GLU H H 7.263 0.05 1
90 9 9 GLU CA C 54.076 0.2 1
91 9 9 GLU HA H 4.358 0.05 1
92 9 9 GLU CB C 33.156 0.2 1
93 9 9 GLU HB2 H 1.878 0.05 2
94 9 9 GLU HB3 H 1.637 0.05 2
95 9 9 GLU CG C 35.358 0.2 1
96 9 9 GLU HG2 H 2.106 0.05 2
97 9 9 GLU HG3 H 2.036 0.05 2
98 9 9 GLU C C 172.300 0.2 1
99 10 10 ASN N N 117.957 0.05 1
100 10 10 ASN H H 8.280 0.05 1
101 10 10 ASN CA C 50.498 0.2 1
102 10 10 ASN HA H 4.306 0.05 1
103 10 10 ASN CB C 35.358 0.2 1
104 10 10 ASN HB2 H 2.625 0.05 2
105 10 10 ASN HB3 H 0.992 0.05 2
106 10 10 ASN C C 174.451 0.2 1
107 11 11 ARG N N 126.818 0.05 1
108 11 11 ARG H H 8.955 0.05 1
109 11 11 ARG CA C 52.700 0.2 1
110 11 11 ARG HA H 4.541 0.05 1
111 11 11 ARG CB C 30.403 0.2 1
112 11 11 ARG HB2 H 1.981 0.05 2
113 11 11 ARG HB3 H 0.875 0.05 2
114 11 11 ARG CG C 26.550 0.2 1
115 11 11 ARG HG2 H 1.479 0.05 2
116 11 11 ARG HG3 H 1.275 0.05 2
117 11 11 ARG CD C 42.790 0.2 1
118 11 11 ARG HD2 H 3.092 0.05 2
119 11 11 ARG HD3 H 2.994 0.05 2
120 11 11 ARG C C 176.974 0.2 1
121 12 12 GLY N N 107.886 0.05 1
122 12 12 GLY H H 7.746 0.05 1
123 12 12 GLY CA C 46.369 0.2 1
124 12 12 GLY HA2 H 4.021 0.05 2
125 12 12 GLY HA3 H 3.569 0.05 2
126 13 13 LYS CA C 57.930 0.2 1
127 13 13 LYS HA H 3.857 0.05 1
128 13 13 LYS CB C 30.954 0.2 1
129 13 13 LYS HB2 H 1.722 0.05 1
130 13 13 LYS CG C 23.141 0.2 1
131 13 13 LYS HG2 H 1.316 0.05 1
132 13 13 LYS CD C 28.477 0.2 1
133 13 13 LYS HD2 H 1.591 0.05 2
134 13 13 LYS HD3 H 1.457 0.05 2
135 13 13 LYS CE C 41.414 0.2 1
136 13 13 LYS HE2 H 3.047 0.05 2
137 13 13 LYS HE3 H 2.916 0.05 2
138 13 13 LYS C C 172.861 0.2 1
139 14 14 ASP N N 117.117 0.05 1
140 14 14 ASP H H 7.495 0.05 1
141 14 14 ASP CA C 53.250 0.2 1
142 14 14 ASP HA H 4.877 0.05 1
143 14 14 ASP HB2 H 2.516 0.05 2
144 14 14 ASP HB3 H 2.970 0.05 2
145 14 14 ASP C C 174.330 0.2 1
146 15 15 SER N N 117.861 0.05 1
147 15 15 SER H H 7.348 0.05 1
148 15 15 SER CA C 58.205 0.2 1
149 15 15 SER HA H 4.118 0.05 1
150 15 15 SER CB C 62.334 0.2 1
151 15 15 SER HB3 H 1.492 0.05 2
152 15 15 SER HB2 H 3.691 0.05 2
153 16 16 PRO CD C 50.222 0.2 1
154 16 16 PRO CA C 61.233 0.2 1
155 16 16 PRO HA H 4.529 0.05 1
156 16 16 PRO CB C 30.849 0.2 1
157 16 16 PRO HB2 H 2.054 0.05 2
158 16 16 PRO HB3 H 1.928 0.05 2
159 16 16 PRO CG C 26.550 0.2 1
160 16 16 PRO HG2 H 2.291 0.05 2
161 16 16 PRO HG3 H 1.908 0.05 2
162 16 16 PRO HD2 H 3.786 0.05 2
163 16 16 PRO HD3 H 3.737 0.05 2
164 16 16 PRO C C 175.462 0.2 1
165 17 17 ILE N N 122.227 0.05 1
166 17 17 ILE H H 8.062 0.05 1
167 17 17 ILE CA C 61.508 0.2 1
168 17 17 ILE HA H 4.255 0.05 1
169 17 17 ILE CB C 38.937 0.2 1
170 17 17 ILE HB H 1.527 0.05 1
171 17 17 ILE HG2 H 0.872 0.05 1
172 17 17 ILE CG2 C 16.365 0.2 1
173 17 17 ILE CG1 C 27.651 0.2 1
174 17 17 ILE HG12 H 1.691 0.05 2
175 17 17 ILE HG13 H 1.090 0.05 2
176 17 17 ILE HD1 H 0.492 0.05 1
177 17 17 ILE CD1 C 14.438 0.2 1
178 17 17 ILE C C 175.340 0.2 1
179 18 18 SER N N 122.540 0.05 1
180 18 18 SER H H 8.223 0.05 1
181 18 18 SER CA C 56.829 0.2 1
182 18 18 SER HA H 4.258 0.05 1
183 18 18 SER CB C 63.435 0.2 1
184 18 18 SER HB2 H 3.513 0.05 2
185 18 18 SER HB3 H 3.306 0.05 2
186 18 18 SER C C 174.360 0.2 1
187 19 19 GLU N N 126.958 0.05 1
188 19 19 GLU H H 8.862 0.05 1
189 19 19 GLU CA C 59.031 0.2 1
190 19 19 GLU HA H 3.777 0.05 1
191 19 19 GLU CB C 29.027 0.2 1
192 19 19 GLU HB2 H 1.882 0.05 2
193 19 19 GLU HB3 H 1.745 0.05 2
194 19 19 GLU CG C 35.083 0.2 1
195 19 19 GLU HG2 H 1.984 0.05 1
196 19 19 GLU C C 175.476 0.2 1
197 20 20 HIS N N 114.621 0.05 1
198 20 20 HIS H H 7.793 0.05 1
199 20 20 HIS CA C 54.076 0.2 1
200 20 20 HIS HA H 4.799 0.05 1
201 20 20 HIS CB C 32.330 0.2 1
202 20 20 HIS HB2 H 3.172 0.05 2
203 20 20 HIS HB3 H 2.677 0.05 2
204 21 21 PHE CA C 60.682 0.2 1
205 21 21 PHE HA H 4.351 0.05 1
206 21 21 PHE CB C 39.212 0.2 1
207 21 21 PHE HB2 H 3.523 0.05 2
208 21 21 PHE HB3 H 3.355 0.05 2
209 21 21 PHE HD1 H 7.407 0.05 1
210 21 21 PHE HE1 H 7.257 0.05 1
211 21 21 PHE CD1 C 132.520 0.2 1
212 21 21 PHE CE1 C 130.214 0.2 1
213 21 21 PHE CZ C 132.072 0.2 1
214 21 21 PHE HZ H 7.095 0.05 1
215 21 21 PHE C C 174.141 0.2 1
216 22 22 GLY N N 107.005 0.05 1
217 22 22 GLY H H 9.084 0.05 1
218 22 22 GLY CA C 46.369 0.2 1
219 22 22 GLY HA2 H 3.717 0.05 2
220 22 22 GLY HA3 H 3.353 0.05 2
221 22 22 GLY C C 173.394 0.2 1
222 23 23 ARG N N 113.893 0.05 1
223 23 23 ARG H H 7.383 0.05 1
224 23 23 ARG CA C 53.145 0.2 1
225 23 23 ARG HA H 4.225 0.05 1
226 23 23 ARG CB C 29.197 0.2 1
227 23 23 ARG HB2 H 1.655 0.05 2
228 23 23 ARG HB3 H 1.415 0.05 2
229 23 23 ARG HG2 H 1.380 0.05 2
230 23 23 ARG HG3 H 1.344 0.05 2
231 23 23 ARG CD C 42.685 0.2 1
232 23 23 ARG HD2 H 2.883 0.05 1
233 23 23 ARG C C 174.780 0.2 1
234 24 24 ALA N N 125.699 0.05 1
235 24 24 ALA H H 7.023 0.05 1
236 24 24 ALA CA C 49.947 0.2 1
237 24 24 ALA HA H 4.112 0.05 1
238 24 24 ALA HB H 1.095 0.05 1
239 24 24 ALA CB C 18.292 0.2 1
240 25 25 PRO CD C 49.947 0.2 1
241 25 25 PRO CA C 63.160 0.2 1
242 25 25 PRO HA H 4.055 0.05 1
243 25 25 PRO CB C 30.573 0.2 1
244 25 25 PRO HB2 H 2.053 0.05 2
245 25 25 PRO HB3 H 1.492 0.05 2
246 25 25 PRO CG C 26.825 0.2 1
247 25 25 PRO HG2 H 2.188 0.05 2
248 25 25 PRO HG3 H 2.105 0.05 2
249 25 25 PRO HD2 H 3.929 0.05 2
250 25 25 PRO HD3 H 3.747 0.05 2
251 25 25 PRO C C 176.019 0.2 1
252 26 26 TYR N N 113.973 0.05 1
253 26 26 TYR H H 7.368 0.05 1
254 26 26 TYR CA C 54.902 0.2 1
255 26 26 TYR HA H 5.082 0.05 1
256 26 26 TYR CB C 42.515 0.2 1
257 26 26 TYR HB2 H 2.572 0.05 2
258 26 26 TYR HB3 H 2.329 0.05 2
259 26 26 TYR HD2 H 6.594 0.05 2
260 26 26 TYR HE2 H 6.812 0.05 2
261 26 26 TYR CD1 C 132.612 0.2 1
262 26 26 TYR HD1 H 6.577 0.05 1
263 26 26 TYR CE1 C 118.093 0.2 1
264 26 26 TYR C C 173.056 0.2 1
265 27 27 PHE N N 116.919 0.05 1
266 27 27 PHE H H 9.287 0.05 1
267 27 27 PHE CA C 56.829 0.2 1
268 27 27 PHE HA H 4.865 0.05 1
269 27 27 PHE CB C 43.891 0.2 1
270 27 27 PHE HB2 H 2.554 0.05 2
271 27 27 PHE HB3 H 2.030 0.05 2
272 27 27 PHE HD1 H 6.780 0.05 1
273 27 27 PHE HE1 H 6.969 0.05 1
274 27 27 PHE CD1 C 130.131 0.2 1
275 27 27 PHE CE1 C 130.720 0.2 1
276 27 27 PHE CZ C 132.610 0.2 1
277 27 27 PHE HZ H 6.516 0.05 1
278 27 27 PHE C C 173.187 0.2 1
279 28 28 ALA N N 123.453 0.05 1
280 28 28 ALA H H 9.370 0.05 1
281 28 28 ALA CA C 49.397 0.2 1
282 28 28 ALA HA H 5.064 0.05 1
283 28 28 ALA HB H 1.114 0.05 1
284 28 28 ALA CB C 20.219 0.2 1
285 28 28 ALA C C 174.629 0.2 1
286 29 29 PHE N N 121.408 0.05 1
287 29 29 PHE H H 9.316 0.05 1
288 29 29 PHE CA C 56.829 0.2 1
289 29 29 PHE HA H 5.160 0.05 1
290 29 29 PHE CB C 38.937 0.2 1
291 29 29 PHE HB2 H 2.997 0.05 2
292 29 29 PHE HB3 H 2.704 0.05 2
293 29 29 PHE HD1 H 7.013 0.05 1
294 29 29 PHE HE1 H 6.855 0.05 1
295 29 29 PHE CD1 C 131.709 0.2 1
296 29 29 PHE CE1 C 130.443 0.2 1
297 29 29 PHE HE2 H 6.830 0.05 1
298 29 29 PHE CZ C 131.341 0.2 1
299 29 29 PHE HZ H 6.910 0.05 1
300 29 29 PHE C C 174.998 0.2 1
301 30 30 VAL N N 127.619 0.05 1
302 30 30 VAL H H 9.858 0.05 1
303 30 30 VAL CA C 60.132 0.2 1
304 30 30 VAL HA H 4.610 0.05 1
305 30 30 VAL CB C 33.156 0.2 1
306 30 30 VAL HB H 2.019 0.05 1
307 30 30 VAL HG1 H 0.729 0.05 2
308 30 30 VAL HG2 H 0.885 0.05 2
309 30 30 VAL CG1 C 20.494 0.2 1
310 30 30 VAL CG2 C 21.320 0.2 1
311 30 30 VAL C C 173.956 0.2 1
312 31 31 LYS N N 128.207 0.05 1
313 31 31 LYS H H 8.861 0.05 1
314 31 31 LYS CA C 54.902 0.2 1
315 31 31 LYS HA H 4.980 0.05 1
316 31 31 LYS CB C 32.881 0.2 1
317 31 31 LYS HB2 H 1.754 0.05 1
318 31 31 LYS CG C 24.623 0.2 1
319 31 31 LYS HG2 H 1.420 0.05 2
320 31 31 LYS HG3 H 1.216 0.05 2
321 31 31 LYS CD C 28.477 0.2 1
322 31 31 LYS HD2 H 1.627 0.05 1
323 31 31 LYS CE C 41.139 0.2 1
324 31 31 LYS HE2 H 2.859 0.05 1
325 31 31 LYS C C 174.740 0.2 1
326 32 32 VAL N N 126.321 0.05 1
327 32 32 VAL H H 8.947 0.05 1
328 32 32 VAL CA C 60.132 0.2 1
329 32 32 VAL HA H 4.781 0.05 1
330 32 32 VAL CB C 33.156 0.2 1
331 32 32 VAL HB H 1.908 0.05 1
332 32 32 VAL CG1 C 20.769 0.2 1
333 32 32 VAL HG1 H 0.812 0.05 1
334 32 32 VAL C C 174.821 0.2 1
335 33 33 LYS N N 126.319 0.05 1
336 33 33 LYS H H 8.679 0.05 1
337 33 33 LYS CA C 54.627 0.2 1
338 33 33 LYS HA H 4.545 0.05 1
339 33 33 LYS CB C 34.978 0.2 1
340 33 33 LYS HB2 H 1.678 0.05 2
341 33 33 LYS HB3 H 1.541 0.05 2
342 33 33 LYS CG C 23.967 0.2 1
343 33 33 LYS HG2 H 1.293 0.05 1
344 33 33 LYS CD C 28.096 0.2 1
345 33 33 LYS HD2 H 1.637 0.05 2
346 33 33 LYS HD3 H 1.582 0.05 2
347 33 33 LYS CE C 41.033 0.2 1
348 33 33 LYS HE2 H 2.898 0.05 1
349 34 34 ASN CA C 53.801 0.2 1
350 34 34 ASN HA H 4.253 0.05 1
351 34 34 ASN CB C 36.184 0.2 1
352 34 34 ASN HB2 H 2.951 0.05 2
353 34 34 ASN HB3 H 2.731 0.05 2
354 34 34 ASN C C 173.609 0.2 1
355 35 35 ASN N N 111.480 0.05 1
356 35 35 ASN H H 8.719 0.05 1
357 35 35 ASN CA C 53.801 0.2 1
358 35 35 ASN HA H 3.967 0.05 1
359 35 35 ASN CB C 37.285 0.2 1
360 35 35 ASN HB2 H 3.047 0.05 2
361 35 35 ASN HB3 H 2.671 0.05 2
362 35 35 ASN C C 171.740 0.2 1
363 36 36 ALA N N 119.073 0.05 1
364 36 36 ALA H H 7.500 0.05 1
365 36 36 ALA CA C 49.947 0.2 1
366 36 36 ALA HA H 4.595 0.05 1
367 36 36 ALA HB H 1.296 0.05 1
368 36 36 ALA CB C 21.320 0.2 1
369 36 36 ALA C C 175.356 0.2 1
370 37 37 ILE N N 120.185 0.05 1
371 37 37 ILE H H 8.595 0.05 1
372 37 37 ILE CA C 63.435 0.2 1
373 37 37 ILE HA H 3.687 0.05 1
374 37 37 ILE CB C 37.285 0.2 1
375 37 37 ILE HB H 1.732 0.05 1
376 37 37 ILE HG2 H 0.719 0.05 1
377 37 37 ILE CG2 C 16.640 0.2 1
378 37 37 ILE CG1 C 28.201 0.2 1
379 37 37 ILE HG12 H 0.617 0.05 1
380 37 37 ILE HD1 H 0.836 0.05 1
381 37 37 ILE CD1 C 12.511 0.2 1
382 37 37 ILE C C 175.082 0.2 1
383 38 38 ALA N N 132.674 0.05 1
384 38 38 ALA H H 9.358 0.05 1
385 38 38 ALA CA C 51.874 0.2 1
386 38 38 ALA HA H 4.549 0.05 1
387 38 38 ALA HB H 1.283 0.05 1
388 38 38 ALA CB C 19.668 0.2 1
389 38 38 ALA C C 176.224 0.2 1
390 39 39 ASP N N 115.167 0.05 1
391 39 39 ASP H H 7.631 0.05 1
392 39 39 ASP CA C 53.525 0.2 1
393 39 39 ASP HA H 4.762 0.05 1
394 39 39 ASP CB C 43.616 0.2 1
395 39 39 ASP HB2 H 2.704 0.05 2
396 39 39 ASP HB3 H 2.457 0.05 2
397 39 39 ASP C C 173.380 0.2 1
398 40 40 ILE N N 121.319 0.05 1
399 40 40 ILE H H 8.271 0.05 1
400 40 40 ILE CA C 60.682 0.2 1
401 40 40 ILE HA H 4.679 0.05 1
402 40 40 ILE CB C 40.588 0.2 1
403 40 40 ILE HB H 1.640 0.05 1
404 40 40 ILE HG2 H 0.612 0.05 1
405 40 40 ILE CG2 C 15.815 0.2 1
406 40 40 ILE CG1 C 27.376 0.2 1
407 40 40 ILE HG12 H 1.550 0.05 1
408 40 40 ILE HG13 H 0.885 0.05 1
409 40 40 ILE HD1 H 0.747 0.05 1
410 40 40 ILE CD1 C 13.337 0.2 1
411 40 40 ILE C C 173.583 0.2 1
412 41 41 SER N N 123.069 0.05 1
413 41 41 SER H H 8.658 0.05 1
414 41 41 SER CA C 56.003 0.2 1
415 41 41 SER HA H 4.882 0.05 1
416 41 41 SER CB C 64.536 0.2 1
417 41 41 SER HB2 H 4.002 0.05 2
418 41 41 SER HB3 H 3.856 0.05 2
419 41 41 SER C C 172.727 0.2 1
420 42 42 VAL N N 126.961 0.05 1
421 42 42 VAL H H 8.772 0.05 1
422 42 42 VAL CA C 61.233 0.2 1
423 42 42 VAL HA H 4.996 0.05 1
424 42 42 VAL CB C 31.504 0.2 1
425 42 42 VAL HB H 1.829 0.05 1
426 42 42 VAL HG1 H 0.492 0.05 2
427 42 42 VAL HG2 H 0.722 0.05 2
428 42 42 VAL CG1 C 21.320 0.2 1
429 42 42 VAL CG2 C 20.219 0.2 1
430 42 42 VAL C C 174.684 0.2 1
431 43 43 GLU N N 126.219 0.05 1
432 43 43 GLU H H 9.284 0.05 1
433 43 43 GLU CA C 53.801 0.2 1
434 43 43 GLU HA H 4.998 0.05 1
435 43 43 GLU CB C 33.431 0.2 1
436 43 43 GLU HB2 H 2.484 0.05 2
437 43 43 GLU HB3 H 2.136 0.05 2
438 43 43 GLU CG C 35.253 0.2 1
439 43 43 GLU HG2 H 2.412 0.05 1
440 43 43 GLU C C 174.982 0.2 1
441 44 44 GLU N N 122.578 0.05 1
442 44 44 GLU H H 9.092 0.05 1
443 44 44 GLU CA C 56.553 0.2 1
444 44 44 GLU HA H 4.115 0.05 1
445 44 44 GLU CB C 29.578 0.2 1
446 44 44 GLU HB2 H 1.915 0.05 2
447 44 44 GLU HB3 H 1.826 0.05 2
448 44 44 GLU CG C 36.079 0.2 1
449 44 44 GLU HG2 H 2.237 0.05 2
450 44 44 GLU HG3 H 2.125 0.05 2
451 44 44 GLU C C 174.786 0.2 1
452 45 45 ASN N N 120.585 0.05 1
453 45 45 ASN H H 7.775 0.05 1
454 45 45 ASN CA C 48.571 0.2 1
455 45 45 ASN HA H 4.542 0.05 1
456 45 45 ASN CB C 38.111 0.2 1
457 45 45 ASN HB2 H 3.013 0.05 2
458 45 45 ASN HB3 H 2.248 0.05 2
459 46 46 PRO CD C 49.397 0.2 1
460 46 46 PRO CA C 62.884 0.2 1
461 46 46 PRO HA H 4.328 0.05 1
462 46 46 PRO CB C 30.954 0.2 1
463 46 46 PRO HB2 H 2.118 0.05 2
464 46 46 PRO HB3 H 1.804 0.05 2
465 46 46 PRO CG C 25.449 0.2 1
466 46 46 PRO HG2 H 1.688 0.05 2
467 46 46 PRO HG3 H 1.418 0.05 2
468 46 46 PRO HD2 H 3.691 0.05 2
469 46 46 PRO HD3 H 2.803 0.05 2
470 46 46 PRO C C 176.136 0.2 1
471 47 47 LEU N N 119.747 0.05 1
472 47 47 LEU H H 7.411 0.05 1
473 47 47 LEU CA C 53.525 0.2 1
474 47 47 LEU HA H 4.309 0.05 1
475 47 47 LEU CB C 41.139 0.2 1
476 47 47 LEU HB2 H 1.640 0.05 2
477 47 47 LEU HB3 H 1.493 0.05 2
478 47 47 LEU CG C 26.550 0.2 1
479 47 47 LEU HG H 1.265 0.05 1
480 47 47 LEU HD1 H 0.729 0.05 2
481 47 47 LEU HD2 H 0.699 0.05 2
482 47 47 LEU CD1 C 22.696 0.2 1
483 47 47 LEU CD2 C 24.898 0.2 1
484 47 47 LEU C C 176.021 0.2 1
485 48 48 ALA N N 122.088 0.05 1
486 48 48 ALA H H 6.887 0.05 1
487 48 48 ALA CA C 54.076 0.2 1
488 48 48 ALA HA H 3.985 0.05 1
489 48 48 ALA HB H 1.201 0.05 1
490 48 48 ALA CB C 18.017 0.2 1
491 48 48 ALA C C 177.998 0.2 1
492 49 49 GLN N N 114.029 0.05 1
493 49 49 GLN H H 7.904 0.05 1
494 49 49 GLN CA C 55.452 0.2 1
495 49 49 GLN HA H 4.220 0.05 1
496 49 49 GLN CB C 28.201 0.2 1
497 49 49 GLN HB2 H 2.135 0.05 2
498 49 49 GLN HB3 H 1.801 0.05 2
499 49 49 GLN CG C 33.156 0.2 1
500 49 49 GLN HG2 H 2.247 0.05 1
501 49 49 GLN C C 175.213 0.2 1
502 50 50 ASP N N 120.198 0.05 1
503 50 50 ASP H H 7.670 0.05 1
504 50 50 ASP CA C 53.525 0.2 1
505 50 50 ASP HA H 4.372 0.05 1
506 50 50 ASP CB C 40.863 0.2 1
507 50 50 ASP HB2 H 2.615 0.05 2
508 50 50 ASP HB3 H 2.455 0.05 2
509 51 51 HIS CA C 55.072 0.2 1
510 51 51 HIS HA H 4.549 0.05 1
511 51 51 HIS CB C 29.027 0.2 1
512 51 51 HIS HB2 H 3.086 0.05 2
513 51 51 HIS HB3 H 2.998 0.05 2
514 51 51 HIS C C 174.736 0.2 1
515 52 52 VAL N N 117.662 0.05 1
516 52 52 VAL H H 7.635 0.05 1
517 52 52 VAL CA C 61.508 0.2 1
518 52 52 VAL HA H 4.028 0.05 1
519 52 52 VAL CB C 31.780 0.2 1
520 52 52 VAL HB H 1.955 0.05 1
521 52 52 VAL CG1 C 20.219 0.2 1
522 52 52 VAL HG1 H 0.679 0.05 1
523 54 54 GLY C C 173.536 0.2 1
524 55 55 ALA N N 122.067 0.05 1
525 55 55 ALA H H 8.132 0.05 1
526 55 55 ALA CA C 51.874 0.2 1
527 55 55 ALA HA H 4.543 0.05 1
528 55 55 ALA HB H 1.391 0.05 1
529 55 55 ALA CB C 18.567 0.2 1
530 55 55 ALA C C 177.671 0.2 1
531 56 56 VAL N N 120.960 0.05 1
532 56 56 VAL H H 8.192 0.05 1
533 56 56 VAL CA C 66.463 0.2 1
534 56 56 VAL HA H 3.845 0.05 1
535 56 56 VAL CB C 29.027 0.2 1
536 56 56 VAL HB H 2.214 0.05 1
537 56 56 VAL HG1 H 0.804 0.05 2
538 56 56 VAL HG2 H 1.128 0.05 2
539 56 56 VAL CG1 C 22.696 0.2 1
540 56 56 VAL CG2 C 23.247 0.2 1
541 57 57 PRO CD C 48.846 0.2 1
542 57 57 PRO CA C 65.637 0.2 1
543 57 57 PRO HA H 4.054 0.05 1
544 57 57 PRO CB C 29.302 0.2 1
545 57 57 PRO HB2 H 1.312 0.05 2
546 57 57 PRO HB3 H 0.775 0.05 2
547 57 57 PRO CG C 27.651 0.2 1
548 57 57 PRO HG2 H 1.817 0.05 2
549 57 57 PRO HG3 H 1.240 0.05 2
550 57 57 PRO HD2 H 3.799 0.05 2
551 57 57 PRO HD3 H 3.506 0.05 2
552 57 57 PRO C C 176.122 0.2 1
553 58 58 ASN N N 114.094 0.05 1
554 58 58 ASN H H 7.391 0.05 1
555 58 58 ASN CA C 56.003 0.2 1
556 58 58 ASN HA H 4.167 0.05 1
557 58 58 ASN CB C 37.560 0.2 1
558 58 58 ASN HB2 H 2.779 0.05 2
559 58 58 ASN HB3 H 2.753 0.05 2
560 58 58 ASN C C 175.877 0.2 1
561 59 59 PHE N N 121.572 0.05 1
562 59 59 PHE H H 7.685 0.05 1
563 59 59 PHE CA C 59.306 0.2 1
564 59 59 PHE HA H 4.311 0.05 1
565 59 59 PHE CB C 38.006 0.2 1
566 59 59 PHE HB2 H 3.237 0.05 1
567 59 59 PHE HD1 H 7.062 0.05 1
568 59 59 PHE HE1 H 7.192 0.05 1
569 59 59 PHE CD1 C 132.086 0.2 1
570 59 59 PHE CE1 C 130.780 0.2 1
571 59 59 PHE CZ C 132.521 0.2 1
572 59 59 PHE HZ H 7.368 0.05 1
573 59 59 PHE C C 175.396 0.2 1
574 60 60 VAL N N 117.245 0.05 1
575 60 60 VAL H H 7.644 0.05 1
576 60 60 VAL CA C 65.637 0.2 1
577 60 60 VAL HA H 3.145 0.05 1
578 60 60 VAL CB C 30.954 0.2 1
579 60 60 VAL HB H 2.247 0.05 1
580 60 60 VAL HG1 H 0.689 0.05 2
581 60 60 VAL HG2 H 0.650 0.05 2
582 60 60 VAL CG1 C 21.870 0.2 1
583 60 60 VAL CG2 C 22.696 0.2 1
584 60 60 VAL C C 176.744 0.2 1
585 61 61 LYS N N 119.763 0.05 1
586 61 61 LYS H H 8.070 0.05 1
587 61 61 LYS CA C 57.930 0.2 1
588 61 61 LYS HA H 4.088 0.05 1
589 61 61 LYS CB C 32.055 0.2 1
590 61 61 LYS HB2 H 2.050 0.05 2
591 61 61 LYS HB3 H 1.892 0.05 2
592 61 61 LYS CG C 23.797 0.2 1
593 61 61 LYS HG2 H 1.625 0.05 2
594 61 61 LYS HG3 H 1.414 0.05 2
595 61 61 LYS CD C 28.153 0.2 1
596 61 61 LYS HD2 H 1.804 0.05 2
597 61 61 LYS HD3 H 1.558 0.05 2
598 61 61 LYS CE C 41.964 0.2 1
599 61 61 LYS HE2 H 2.996 0.05 1
600 61 61 LYS C C 180.004 0.2 1
601 62 62 GLU N N 121.768 0.05 1
602 62 62 GLU H H 8.422 0.05 1
603 62 62 GLU CA C 58.480 0.2 1
604 62 62 GLU HA H 3.933 0.05 1
605 62 62 GLU CB C 28.477 0.2 1
606 62 62 GLU HB2 H 2.069 0.05 2
607 62 62 GLU HB3 H 2.001 0.05 2
608 62 62 GLU CG C 35.909 0.2 1
609 62 62 GLU HG2 H 2.326 0.05 2
610 62 62 GLU HG3 H 2.224 0.05 2
611 62 62 GLU C C 177.779 0.2 1
612 63 63 LYS N N 117.510 0.05 1
613 63 63 LYS H H 7.022 0.05 1
614 63 63 LYS CA C 54.627 0.2 1
615 63 63 LYS HA H 3.800 0.05 1
616 63 63 LYS CB C 30.954 0.2 1
617 63 63 LYS HB2 H 1.224 0.05 2
618 63 63 LYS HB3 H 0.740 0.05 2
619 63 63 LYS CG C 22.971 0.2 1
620 63 63 LYS HG2 H 0.594 0.05 2
621 63 63 LYS HG3 H 0.291 0.05 2
622 63 63 LYS CD C 26.825 0.2 1
623 63 63 LYS HD2 H 1.051 0.05 2
624 63 63 LYS HD3 H 0.880 0.05 2
625 63 63 LYS CE C 41.139 0.2 1
626 63 63 LYS HE2 H 2.414 0.05 2
627 63 63 LYS HE3 H 2.368 0.05 2
628 63 63 LYS C C 175.791 0.2 1
629 64 64 GLY N N 104.928 0.05 1
630 64 64 GLY H H 7.777 0.05 1
631 64 64 GLY CA C 44.167 0.2 1
632 64 64 GLY HA2 H 4.088 0.05 2
633 64 64 GLY HA3 H 3.589 0.05 2
634 64 64 GLY C C 173.674 0.2 1
635 65 65 ALA N N 119.871 0.05 1
636 65 65 ALA H H 7.035 0.05 1
637 65 65 ALA CA C 52.424 0.2 1
638 65 65 ALA HA H 4.049 0.05 1
639 65 65 ALA HB H 1.142 0.05 1
640 65 65 ALA CB C 19.668 0.2 1
641 65 65 ALA C C 176.055 0.2 1
642 66 66 GLU N N 118.243 0.05 1
643 66 66 GLU H H 8.350 0.05 1
644 66 66 GLU CA C 55.177 0.2 1
645 66 66 GLU HA H 4.497 0.05 1
646 66 66 GLU CB C 31.780 0.2 1
647 66 66 GLU HB2 H 2.197 0.05 2
648 66 66 GLU HB3 H 1.993 0.05 2
649 66 66 GLU CG C 36.459 0.2 1
650 66 66 GLU HG2 H 2.306 0.05 1
651 66 66 GLU C C 174.102 0.2 1
652 67 67 LEU N N 123.632 0.05 1
653 67 67 LEU H H 7.528 0.05 1
654 67 67 LEU CA C 52.954 0.2 1
655 67 67 LEU HA H 4.910 0.05 1
656 67 67 LEU CB C 45.543 0.2 1
657 67 67 LEU HB2 H 1.294 0.05 1
658 67 67 LEU CG C 26.550 0.2 1
659 67 67 LEU HG H 1.058 0.05 1
660 67 67 LEU HD1 H 0.553 0.05 2
661 67 67 LEU HD2 H 0.144 0.05 2
662 67 67 LEU CD1 C 23.247 0.2 1
663 67 67 LEU CD2 C 24.623 0.2 1
664 67 67 LEU C C 172.879 0.2 1
665 68 68 VAL N N 126.036 0.05 1
666 68 68 VAL H H 8.617 0.05 1
667 68 68 VAL CA C 58.480 0.2 1
668 68 68 VAL HA H 5.152 0.05 1
669 68 68 VAL CB C 33.431 0.2 1
670 68 68 VAL HB H 1.322 0.05 1
671 68 68 VAL HG1 H 0.499 0.05 2
672 68 68 VAL HG2 H 0.188 0.05 2
673 68 68 VAL CG1 C 20.219 0.2 1
674 68 68 VAL CG2 C 20.494 0.2 1
675 68 68 VAL C C 173.047 0.2 1
676 69 69 ILE N N 126.383 0.05 1
677 69 69 ILE H H 7.934 0.05 1
678 69 69 ILE CA C 59.857 0.2 1
679 69 69 ILE HA H 4.736 0.05 1
680 69 69 ILE CB C 38.661 0.2 1
681 69 69 ILE HB H 1.316 0.05 1
682 69 69 ILE HG2 H 0.533 0.05 1
683 69 69 ILE CG2 C 17.466 0.2 1
684 69 69 ILE CG1 C 26.275 0.2 1
685 69 69 ILE HG12 H 1.169 0.05 1
686 69 69 ILE HG13 H 0.468 0.05 1
687 69 69 ILE HD1 H 0.371 0.05 1
688 69 69 ILE CD1 C 12.787 0.2 1
689 69 69 ILE C C 173.129 0.2 1
690 70 70 VAL N N 113.804 0.05 1
691 70 70 VAL H H 8.589 0.05 1
692 70 70 VAL CA C 57.104 0.2 1
693 70 70 VAL HA H 4.687 0.05 1
694 70 70 VAL CB C 33.982 0.2 1
695 70 70 VAL HB H 2.373 0.05 1
696 70 70 VAL HG1 H 0.765 0.05 2
697 70 70 VAL HG2 H 0.499 0.05 2
698 70 70 VAL CG1 C 22.696 0.2 1
699 70 70 VAL CG2 C 18.292 0.2 1
700 70 70 VAL C C 173.899 0.2 1
701 71 71 ARG N N 121.790 0.05 1
702 71 71 ARG H H 8.913 0.05 1
703 71 71 ARG CA C 57.654 0.2 1
704 71 71 ARG HA H 4.519 0.05 1
705 71 71 ARG CB C 28.477 0.2 1
706 71 71 ARG HB2 H 2.053 0.05 2
707 71 71 ARG HB3 H 1.658 0.05 2
708 71 71 ARG CG C 26.550 0.2 1
709 71 71 ARG HG2 H 1.561 0.05 2
710 71 71 ARG HG3 H 1.359 0.05 2
711 71 71 ARG CD C 42.515 0.2 1
712 71 71 ARG HD2 H 3.102 0.05 2
713 71 71 ARG HD3 H 2.892 0.05 2
714 71 71 ARG C C 175.009 0.2 1
715 72 72 GLY N N 106.935 0.05 1
716 72 72 GLY H H 7.803 0.05 1
717 72 72 GLY CA C 43.616 0.2 1
718 72 72 GLY HA2 H 4.452 0.05 2
719 72 72 GLY HA3 H 3.764 0.05 2
720 72 72 GLY C C 171.411 0.2 1
721 73 73 ILE N N 118.079 0.05 1
722 73 73 ILE H H 7.864 0.05 1
723 73 73 ILE CA C 60.577 0.2 1
724 73 73 ILE HA H 4.553 0.05 1
725 73 73 ILE CB C 38.281 0.2 1
726 73 73 ILE HB H 1.905 0.05 1
727 73 73 ILE HG2 H 0.625 0.05 1
728 73 73 ILE CG2 C 14.333 0.2 1
729 73 73 ILE CG1 C 28.096 0.2 1
730 73 73 ILE HG12 H 1.590 0.05 1
731 73 73 ILE HG13 H 1.326 0.05 1
732 73 73 ILE HD1 H 0.220 0.05 1
733 73 73 ILE CD1 C 12.681 0.2 1
734 73 73 ILE C C 171.927 0.2 1
735 74 74 GLY N N 114.723 0.05 1
736 74 74 GLY H H 8.656 0.05 1
737 74 74 GLY CA C 44.167 0.2 1
738 74 74 GLY HA2 H 4.391 0.05 2
739 74 74 GLY HA3 H 4.060 0.05 2
740 74 74 GLY C C 174.031 0.2 1
741 75 75 ARG N N 120.382 0.05 1
742 75 75 ARG H H 8.635 0.05 1
743 75 75 ARG CA C 58.650 0.2 1
744 75 75 ARG HA H 3.907 0.05 1
745 75 75 ARG CB C 29.197 0.2 1
746 75 75 ARG HB2 H 1.872 0.05 2
747 75 75 ARG HB3 H 1.806 0.05 2
748 75 75 ARG CG C 26.444 0.2 1
749 75 75 ARG HG2 H 1.730 0.05 2
750 75 75 ARG CD C 42.410 0.2 1
751 75 75 ARG HD2 H 3.191 0.05 2
752 76 76 ARG CA C 58.375 0.2 1
753 76 76 ARG HA H 4.044 0.05 1
754 76 76 ARG CB C 28.371 0.2 1
755 76 76 ARG HB2 H 1.881 0.05 2
756 76 76 ARG HB3 H 1.804 0.05 2
757 76 76 ARG CG C 26.720 0.2 1
758 76 76 ARG HG2 H 1.722 0.05 2
759 76 76 ARG HG3 H 1.604 0.05 2
760 76 76 ARG CD C 42.410 0.2 1
761 76 76 ARG HD2 H 3.141 0.05 2
762 76 76 ARG C C 178.404 0.2 1
763 77 77 ALA N N 123.342 0.05 1
764 77 77 ALA H H 7.675 0.05 1
765 77 77 ALA CA C 54.076 0.2 1
766 77 77 ALA HA H 3.987 0.05 1
767 77 77 ALA HB H 1.351 0.05 1
768 77 77 ALA CB C 17.191 0.2 1
769 77 77 ALA C C 178.268 0.2 1
770 78 78 ILE N N 117.581 0.05 1
771 78 78 ILE H H 7.709 0.05 1
772 78 78 ILE CA C 65.637 0.2 1
773 78 78 ILE HA H 3.576 0.05 1
774 78 78 ILE CB C 37.285 0.2 1
775 78 78 ILE HB H 1.839 0.05 1
776 78 78 ILE HG2 H 0.885 0.05 1
777 78 78 ILE CG2 C 16.916 0.2 1
778 78 78 ILE CG1 C 29.027 0.2 1
779 78 78 ILE HG12 H 1.715 0.05 1
780 78 78 ILE HG13 H 0.780 0.05 1
781 78 78 ILE HD1 H 0.758 0.05 1
782 78 78 ILE C C 177.131 0.2 1
783 79 79 ALA N N 120.737 0.05 1
784 79 79 ALA H H 7.771 0.05 1
785 79 79 ALA CA C 54.076 0.2 1
786 79 79 ALA HA H 4.159 0.05 1
787 79 79 ALA HB H 1.446 0.05 1
788 79 79 ALA CB C 17.191 0.2 1
789 79 79 ALA C C 179.961 0.2 1
790 80 80 ALA N N 121.790 0.05 1
791 80 80 ALA H H 7.735 0.05 1
792 80 80 ALA CA C 54.076 0.2 1
793 80 80 ALA HA H 4.086 0.05 1
794 80 80 ALA HB H 1.265 0.05 1
795 80 80 ALA CB C 16.916 0.2 1
796 80 80 ALA C C 179.739 0.2 1
797 81 81 PHE N N 117.228 0.05 1
798 81 81 PHE H H 8.068 0.05 1
799 81 81 PHE CA C 60.682 0.2 1
800 81 81 PHE HA H 4.343 0.05 1
801 81 81 PHE CB C 36.459 0.2 1
802 81 81 PHE HB2 H 3.197 0.05 2
803 81 81 PHE HB3 H 2.868 0.05 2
804 81 81 PHE C C 178.292 0.2 1
805 82 82 GLU N N 120.889 0.05 1
806 82 82 GLU H H 8.726 0.05 1
807 82 82 GLU CA C 59.031 0.2 1
808 82 82 GLU HA H 4.078 0.05 1
809 82 82 GLU CB C 28.477 0.2 1
810 82 82 GLU HB2 H 2.149 0.05 2
811 82 82 GLU HB3 H 2.016 0.05 2
812 82 82 GLU CG C 35.909 0.2 1
813 82 82 GLU HG2 H 2.493 0.05 2
814 82 82 GLU HG3 H 2.225 0.05 2
815 82 82 GLU C C 179.981 0.2 1
816 83 83 ALA N N 121.626 0.05 1
817 83 83 ALA H H 7.823 0.05 1
818 83 83 ALA CA C 53.801 0.2 1
819 83 83 ALA HA H 4.189 0.05 1
820 83 83 ALA HB H 1.508 0.05 1
821 83 83 ALA CB C 17.466 0.2 1
822 83 83 ALA C C 178.361 0.2 1
823 84 84 MET N N 114.416 0.05 1
824 84 84 MET H H 7.554 0.05 1
825 84 84 MET CA C 55.072 0.2 1
826 84 84 MET HA H 4.497 0.05 1
827 84 84 MET CB C 33.982 0.2 1
828 84 84 MET HB2 H 2.168 0.05 2
829 84 84 MET CG C 30.849 0.2 1
830 84 84 MET HG2 H 2.743 0.05 2
831 84 84 MET HG3 H 2.671 0.05 2
832 84 84 MET C C 175.286 0.2 1
833 85 85 GLY N N 108.427 0.05 1
834 85 85 GLY H H 7.811 0.05 1
835 85 85 GLY CA C 45.268 0.2 1
836 85 85 GLY HA2 H 4.034 0.05 2
837 85 85 GLY HA3 H 3.800 0.05 2
838 85 85 GLY C C 173.541 0.2 1
839 86 86 VAL N N 122.733 0.05 1
840 86 86 VAL H H 7.939 0.05 1
841 86 86 VAL CA C 60.958 0.2 1
842 86 86 VAL HA H 3.855 0.05 1
843 86 86 VAL CB C 32.606 0.2 1
844 86 86 VAL HB H 1.742 0.05 1
845 86 86 VAL HG1 H 0.211 0.05 2
846 86 86 VAL HG2 H 0.840 0.05 2
847 86 86 VAL CG1 C 20.219 0.2 1
848 86 86 VAL CG2 C 21.045 0.2 1
849 86 86 VAL C C 173.946 0.2 1
850 87 87 LYS N N 127.679 0.05 1
851 87 87 LYS H H 7.347 0.05 1
852 87 87 LYS CA C 55.452 0.2 1
853 87 87 LYS HA H 4.196 0.05 1
854 87 87 LYS CB C 32.881 0.2 1
855 87 87 LYS HB2 H 1.701 0.05 2
856 87 87 LYS CG C 24.348 0.2 1
857 87 87 LYS HG2 H 1.449 0.05 2
858 87 87 LYS HG3 H 1.288 0.05 2
859 87 87 LYS CD C 28.201 0.2 1
860 87 87 LYS HD2 H 1.645 0.05 2
861 87 87 LYS CE C 41.414 0.2 1
862 87 87 LYS HE2 H 2.968 0.05 2
863 87 87 LYS HE3 H 2.935 0.05 2
864 87 87 LYS C C 173.742 0.2 1
865 88 88 VAL N N 122.607 0.05 1
866 88 88 VAL H H 8.119 0.05 1
867 88 88 VAL CA C 59.857 0.2 1
868 88 88 VAL HA H 4.697 0.05 1
869 88 88 VAL CB C 33.707 0.2 1
870 88 88 VAL HB H 1.753 0.05 1
871 88 88 VAL CG1 C 21.045 0.2 1
872 88 88 VAL HG1 H 0.549 0.05 1
873 88 88 VAL C C 175.070 0.2 1
874 89 89 ILE N N 129.266 0.05 1
875 89 89 ILE H H 8.608 0.05 1
876 89 89 ILE CA C 60.132 0.2 1
877 89 89 ILE HA H 4.233 0.05 1
878 89 89 ILE CB C 39.212 0.2 1
879 89 89 ILE HB H 1.553 0.05 1
880 89 89 ILE HG2 H 0.783 0.05 1
881 89 89 ILE CG2 C 16.365 0.2 1
882 89 89 ILE CG1 C 26.825 0.2 1
883 89 89 ILE HG12 H 1.339 0.05 1
884 89 89 ILE HG13 H 0.975 0.05 1
885 89 89 ILE HD1 H 0.762 0.05 1
886 89 89 ILE CD1 C 13.062 0.2 1
887 89 89 ILE C C 172.898 0.2 1
888 90 90 LYS N N 124.279 0.05 1
889 90 90 LYS H H 8.673 0.05 1
890 90 90 LYS CA C 53.525 0.2 1
891 90 90 LYS HA H 4.994 0.05 1
892 90 90 LYS CB C 33.431 0.2 1
893 90 90 LYS HB2 H 1.879 0.05 2
894 90 90 LYS HB3 H 1.471 0.05 2
895 90 90 LYS CG C 22.696 0.2 1
896 90 90 LYS HG2 H 1.303 0.05 2
897 90 90 LYS CD C 28.477 0.2 1
898 90 90 LYS HD2 H 1.619 0.05 2
899 90 90 LYS HD3 H 1.540 0.05 2
900 90 90 LYS CE C 40.313 0.2 1
901 90 90 LYS HE2 H 2.974 0.05 2
902 90 90 LYS HE3 H 2.911 0.05 2
903 90 90 LYS C C 176.140 0.2 1
904 91 91 GLY N N 107.462 0.05 1
905 91 91 GLY H H 8.419 0.05 1
906 91 91 GLY CA C 44.717 0.2 1
907 91 91 GLY HA2 H 4.068 0.05 2
908 91 91 GLY HA3 H 3.570 0.05 2
909 91 91 GLY C C 173.348 0.2 1
910 92 92 ALA N N 124.562 0.05 1
911 92 92 ALA H H 8.264 0.05 1
912 92 92 ALA CA C 51.323 0.2 1
913 92 92 ALA HA H 4.261 0.05 1
914 92 92 ALA HB H 1.071 0.05 1
915 92 92 ALA CB C 19.943 0.2 1
916 92 92 ALA C C 174.330 0.2 1
917 93 93 SER N N 109.940 0.05 1
918 93 93 SER H H 7.790 0.05 1
919 93 93 SER CA C 56.829 0.2 1
920 93 93 SER HA H 4.369 0.05 1
921 93 93 SER CB C 64.811 0.2 1
922 93 93 SER HB2 H 3.609 0.05 2
923 93 93 SER C C 171.577 0.2 1
924 94 94 GLY N N 110.137 0.05 1
925 94 94 GLY H H 7.740 0.05 1
926 94 94 GLY CA C 43.341 0.2 1
927 94 94 GLY HA2 H 4.536 0.05 2
928 94 94 GLY HA3 H 3.763 0.05 2
929 94 94 GLY C C 172.435 0.2 1
930 95 95 THR N N 109.737 0.05 1
931 95 95 THR H H 8.136 0.05 1
932 95 95 THR CA C 59.306 0.2 1
933 95 95 THR HA H 4.902 0.05 1
934 95 95 THR CB C 71.142 0.2 1
935 95 95 THR HB H 4.331 0.05 1
936 95 95 THR HG2 H 1.056 0.05 1
937 95 95 THR CG2 C 21.595 0.2 1
938 95 95 THR C C 174.999 0.2 1
939 96 96 VAL N N 118.069 0.05 1
940 96 96 VAL H H 8.031 0.05 1
941 96 96 VAL CA C 66.463 0.2 1
942 96 96 VAL HA H 3.256 0.05 1
943 96 96 VAL CB C 30.954 0.2 1
944 96 96 VAL HB H 1.983 0.05 1
945 96 96 VAL HG1 H 0.681 0.05 2
946 96 96 VAL HG2 H 0.859 0.05 2
947 96 96 VAL CG1 C 21.045 0.2 1
948 96 96 VAL CG2 C 24.072 0.2 1
949 96 96 VAL C C 175.496 0.2 1
950 97 97 GLU N N 116.881 0.05 1
951 97 97 GLU H H 8.194 0.05 1
952 97 97 GLU CA C 59.031 0.2 1
953 97 97 GLU HA H 3.589 0.05 1
954 97 97 GLU CB C 29.472 0.2 1
955 97 97 GLU HB2 H 1.878 0.05 2
956 97 97 GLU CG C 35.253 0.2 1
957 97 97 GLU HG2 H 2.090 0.05 2
958 97 97 GLU HG3 H 1.991 0.05 2
959 97 97 GLU C C 176.875 0.2 1
960 98 98 GLU N N 117.462 0.05 1
961 98 98 GLU H H 7.386 0.05 1
962 98 98 GLU C C 179.327 0.2 1
963 99 99 VAL N N 117.207 0.05 1
964 99 99 VAL H H 8.741 0.05 1
965 99 99 VAL CA C 64.811 0.2 1
966 99 99 VAL HA H 3.832 0.05 1
967 99 99 VAL CB C 30.679 0.2 1
968 99 99 VAL HB H 1.954 0.05 1
969 99 99 VAL HG1 H 0.849 0.05 2
970 99 99 VAL HG2 H 0.753 0.05 2
971 99 99 VAL CG1 C 21.320 0.2 1
972 99 99 VAL CG2 C 21.870 0.2 1
973 99 99 VAL C C 177.756 0.2 1
974 100 100 VAL N N 120.530 0.05 1
975 100 100 VAL H H 8.364 0.05 1
976 100 100 VAL CA C 66.738 0.2 1
977 100 100 VAL HA H 3.480 0.05 1
978 100 100 VAL CB C 30.128 0.2 1
979 100 100 VAL HB H 2.029 0.05 1
980 100 100 VAL HG1 H 0.773 0.05 2
981 100 100 VAL HG2 H 0.908 0.05 2
982 100 100 VAL CG1 C 21.595 0.2 1
983 100 100 VAL CG2 C 24.072 0.2 1
984 100 100 VAL C C 177.240 0.2 1
985 101 101 ASN N N 119.093 0.05 1
986 101 101 ASN H H 8.251 0.05 1
987 101 101 ASN CA C 56.003 0.2 1
988 101 101 ASN HA H 4.503 0.05 1
989 101 101 ASN CB C 36.459 0.2 1
990 101 101 ASN HB2 H 2.964 0.05 2
991 101 101 ASN HB3 H 2.679 0.05 2
992 101 101 ASN C C 178.727 0.2 1
993 102 102 GLN N N 121.464 0.05 1
994 102 102 GLN H H 8.323 0.05 1
995 102 102 GLN CA C 58.755 0.2 1
996 102 102 GLN HA H 3.967 0.05 1
997 102 102 GLN CB C 27.926 0.2 1
998 102 102 GLN HB2 H 2.340 0.05 2
999 102 102 GLN HB3 H 1.885 0.05 2
1000 102 102 GLN CG C 33.431 0.2 1
1001 102 102 GLN HG2 H 2.603 0.05 2
1002 102 102 GLN HG3 H 2.231 0.05 2
1003 102 102 GLN C C 177.909 0.2 1
1004 103 103 TYR N N 121.876 0.05 1
1005 103 103 TYR H H 8.377 0.05 1
1006 103 103 TYR CA C 60.682 0.2 1
1007 103 103 TYR HA H 4.250 0.05 1
1008 103 103 TYR CB C 37.010 0.2 1
1009 103 103 TYR HB2 H 3.172 0.05 2
1010 103 103 TYR HB3 H 3.046 0.05 2
1011 103 103 TYR HD2 H 6.788 0.05 2
1012 103 103 TYR HE2 H 6.598 0.05 2
1013 103 103 TYR CD1 C 132.099 0.2 1
1014 103 103 TYR CE1 C 118.611 0.2 1
1015 103 103 TYR C C 178.683 0.2 1
1016 104 104 LEU N N 121.115 0.05 1
1017 104 104 LEU H H 8.950 0.05 1
1018 104 104 LEU CA C 56.553 0.2 1
1019 104 104 LEU HA H 3.678 0.05 1
1020 104 104 LEU CB C 40.588 0.2 1
1021 104 104 LEU HB2 H 1.855 0.05 2
1022 104 104 LEU HB3 H 1.357 0.05 2
1023 104 104 LEU CG C 25.724 0.2 1
1024 104 104 LEU HG H 1.945 0.05 1
1025 104 104 LEU HD1 H 0.757 0.05 2
1026 104 104 LEU HD2 H 0.671 0.05 2
1027 104 104 LEU CD1 C 21.595 0.2 1
1028 104 104 LEU CD2 C 24.623 0.2 1
1029 104 104 LEU C C 177.736 0.2 1
1030 105 105 SER N N 111.405 0.05 1
1031 105 105 SER H H 7.723 0.05 1
1032 105 105 SER CA C 57.930 0.2 1
1033 105 105 SER HA H 4.399 0.05 1
1034 105 105 SER CB C 63.160 0.2 1
1035 105 105 SER HB2 H 4.015 0.05 2
1036 105 105 SER HB3 H 3.919 0.05 2
1037 105 105 SER C C 174.468 0.2 1
1038 106 106 GLY N N 109.818 0.05 1
1039 106 106 GLY H H 7.563 0.05 1
1040 106 106 GLY CA C 45.162 0.2 1
1041 106 106 GLY HA2 H 4.009 0.05 2
1042 106 106 GLY HA3 H 3.783 0.05 2
1043 106 106 GLY C C 174.313 0.2 1
1044 107 107 GLN N N 117.096 0.05 1
1045 107 107 GLN H H 7.922 0.05 1
1046 107 107 GLN CA C 55.347 0.2 1
1047 107 107 GLN HA H 4.213 0.05 1
1048 107 107 GLN CB C 29.197 0.2 1
1049 107 107 GLN HB2 H 2.187 0.05 2
1050 107 107 GLN HB3 H 1.729 0.05 2
1051 107 107 GLN CG C 33.326 0.2 1
1052 107 107 GLN HG2 H 2.261 0.05 2
1053 107 107 GLN HG3 H 2.198 0.05 2
1054 107 107 GLN C C 175.000 0.2 1
1055 108 108 LEU N N 121.024 0.05 1
1056 108 108 LEU H H 7.493 0.05 1
1057 108 108 LEU CA C 53.695 0.2 1
1058 108 108 LEU HA H 4.508 0.05 1
1059 108 108 LEU CB C 42.240 0.2 1
1060 108 108 LEU HB2 H 1.688 0.05 2
1061 108 108 LEU HB3 H 1.294 0.05 2
1062 108 108 LEU CG C 26.444 0.2 1
1063 108 108 LEU HG H 1.416 0.05 1
1064 108 108 LEU HD1 H 0.923 0.05 2
1065 108 108 LEU HD2 H 0.877 0.05 2
1066 108 108 LEU CD1 C 23.797 0.2 1
1067 108 108 LEU CD2 C 25.173 0.2 1
1068 108 108 LEU C C 174.428 0.2 1
1069 109 109 LYS N N 125.114 0.05 1
1070 109 109 LYS H H 8.310 0.05 1
1071 109 109 LYS CA C 53.971 0.2 1
1072 109 109 LYS HA H 4.455 0.05 1
1073 109 109 LYS CB C 33.707 0.2 1
1074 109 109 LYS HB2 H 1.789 0.05 2
1075 109 109 LYS HB3 H 1.676 0.05 2
1076 109 109 LYS CG C 23.522 0.2 1
1077 109 109 LYS HG2 H 1.316 0.05 2
1078 109 109 LYS CD C 27.926 0.2 1
1079 109 109 LYS HD2 H 1.576 0.05 2
1080 109 109 LYS CE C 41.414 0.2 1
1081 109 109 LYS HE2 H 2.927 0.05 2
1082 109 109 LYS C C 174.782 0.2 1
1083 110 110 ASP N N 121.013 0.05 1
1084 110 110 ASP H H 8.454 0.05 1
1085 110 110 ASP CA C 54.076 0.2 1
1086 110 110 ASP HA H 4.650 0.05 1
1087 110 110 ASP CB C 41.414 0.2 1
1088 110 110 ASP HB2 H 2.661 0.05 2
1089 110 110 ASP C C 175.374 0.2 1
1090 111 111 SER N N 117.586 0.05 1
1091 111 111 SER H H 7.995 0.05 1
1092 111 111 SER CA C 57.379 0.2 1
1093 111 111 SER HA H 4.465 0.05 1
1094 111 111 SER CB C 63.880 0.2 1
1095 111 111 SER HB2 H 3.820 0.05 2
1096 111 111 SER HB3 H 3.777 0.05 2
1097 111 111 SER C C 175.260 0.2 1
1098 112 112 ASP N N 121.941 0.05 1
1099 112 112 ASP H H 8.291 0.05 1
1100 112 112 ASP CA C 53.695 0.2 1
1101 112 112 ASP HA H 4.562 0.05 1
1102 112 112 ASP CB C 40.313 0.2 1
1103 112 112 ASP HB2 H 2.612 0.05 2
1104 112 112 ASP HB3 H 2.513 0.05 2
1105 112 112 ASP C C 175.286 0.2 1
1106 113 113 TYR N N 120.878 0.05 1
1107 113 113 TYR H H 7.906 0.05 1
1108 113 113 TYR CA C 57.654 0.2 1
1109 113 113 TYR HA H 4.419 0.05 1
1110 113 113 TYR CB C 38.386 0.2 1
1111 113 113 TYR HB2 H 2.908 0.05 2
1112 113 113 TYR HD2 H 7.025 0.05 2
1113 113 113 TYR HE2 H 6.746 0.05 2
1114 113 113 TYR CD1 C 133.045 0.2 1
1115 113 113 TYR CE1 C 118.164 0.2 1
1116 113 113 TYR HE1 H 6.734 0.05 2
1117 113 113 TYR C C 174.660 0.2 1
1118 114 114 GLU N N 123.037 0.05 1
1119 114 114 GLU H H 8.018 0.05 1
1120 114 114 GLU CA C 55.347 0.2 1
1121 114 114 GLU HA H 4.195 0.05 1
1122 114 114 GLU CB C 29.853 0.2 1
1123 114 114 GLU HB2 H 1.876 0.05 2
1124 114 114 GLU HB3 H 1.806 0.05 2
1125 114 114 GLU CG C 35.633 0.2 1
1126 114 114 GLU HG2 H 2.110 0.05 2
1127 114 114 GLU C C 175.003 0.2 1
1128 115 115 VAL N N 120.710 0.05 1
1129 115 115 VAL H H 7.887 0.05 1
1130 115 115 VAL CA C 61.783 0.2 1
1131 115 115 VAL HA H 3.946 0.05 1
1132 115 115 VAL CB C 31.780 0.2 1
1133 115 115 VAL HB H 1.922 0.05 1
1134 115 115 VAL HG1 H 0.776 0.05 2
1135 115 115 VAL HG2 H 0.811 0.05 2
1136 115 115 VAL CG1 C 20.494 0.2 1
1137 115 115 VAL CG2 C 20.494 0.2 1
1138 115 115 VAL C C 173.170 0.2 1
1139 116 116 HIS N N 121.941 0.05 1
1140 116 116 HIS H H 8.300 0.05 1
1141 116 116 HIS C C 173.056 0.2 1
1142 117 117 ASP N N 125.495 0.05 1
1143 117 117 ASP H H 8.018 0.05 1
stop_
save_