data_25897
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Holo F2 TnC
;
_BMRB_accession_number 25897
_BMRB_flat_file_name bmr25897.str
_Entry_type original
_Submission_date 2015-11-12
_Accession_date 2015-11-12
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Sanfelice Domenico . .
2 Pastore Annalisa . .
3 Bullard Belinda . .
4 Adrover Miguel . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 318
"13C chemical shifts" 462
"15N chemical shifts" 153
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2016-10-19 update BMRB 'update entry citation'
2016-07-22 update BMRB 'update entry citation'
2016-01-29 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
25875 'Backbone assignment of Calcium loaded C-terminus of Troponin C isoform 2'
25878 'Holo N-terminal TnC F2 backbone assignment'
25879 'Backbone assignment of Apo C-terminal F2-TnC'
25880 'Backbone assignment of N-terminal fragment of F2-TnC from Lethocerus'
25896 'Backbone Assignment of Apo Troponin C from Lethocerus Indicus'
stop_
_Original_release_date 2016-01-29
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Towards Understanding the Molecular Bases of Stretch Activation: A Structural comparison of the Two Troponin C Isoforms of Lethocerus
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 27226601
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Sanfelice Domenico . .
2 Pastore Annalisa . .
3 Bullard Belinda . .
4 Adrover Miguel . .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_volume 291
_Journal_issue 31
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 16090
_Page_last 16099
_Year 2016
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Holo F2 TnC'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Holo F2 TnC' $Holo_F2_TnC
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Holo_F2_TnC
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Holo_F2_TnC
_Molecular_mass .
_Mol_thiol_state 'not present'
loop_
_Biological_function
'calcium binding'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 158
_Mol_residue_sequence
;
MVAMDDLDKDQIALLKRAFE
AFAQEKSYIEANMVGTILQM
LGHEVSDKQLTEIIVEVDAD
GSGQLEFEEFVTLAARFLTE
DNEEDSAAMMEELREAFRLY
DKDGNGYITTEVLREILKEL
DDKITPEDLDMMIQEIDSDG
SGTVDFDEFMEVMIGGDE
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 MET 2 2 VAL 3 3 ALA 4 4 MET 5 5 ASP
6 6 ASP 7 7 LEU 8 8 ASP 9 9 LYS 10 10 ASP
11 11 GLN 12 12 ILE 13 13 ALA 14 14 LEU 15 15 LEU
16 16 LYS 17 17 ARG 18 18 ALA 19 19 PHE 20 20 GLU
21 21 ALA 22 22 PHE 23 23 ALA 24 24 GLN 25 25 GLU
26 26 LYS 27 27 SER 28 28 TYR 29 29 ILE 30 30 GLU
31 31 ALA 32 32 ASN 33 33 MET 34 34 VAL 35 35 GLY
36 36 THR 37 37 ILE 38 38 LEU 39 39 GLN 40 40 MET
41 41 LEU 42 42 GLY 43 43 HIS 44 44 GLU 45 45 VAL
46 46 SER 47 47 ASP 48 48 LYS 49 49 GLN 50 50 LEU
51 51 THR 52 52 GLU 53 53 ILE 54 54 ILE 55 55 VAL
56 56 GLU 57 57 VAL 58 58 ASP 59 59 ALA 60 60 ASP
61 61 GLY 62 62 SER 63 63 GLY 64 64 GLN 65 65 LEU
66 66 GLU 67 67 PHE 68 68 GLU 69 69 GLU 70 70 PHE
71 71 VAL 72 72 THR 73 73 LEU 74 74 ALA 75 75 ALA
76 76 ARG 77 77 PHE 78 78 LEU 79 79 THR 80 80 GLU
81 81 ASP 82 82 ASN 83 83 GLU 84 84 GLU 85 85 ASP
86 86 SER 87 87 ALA 88 88 ALA 89 89 MET 90 90 MET
91 91 GLU 92 92 GLU 93 93 LEU 94 94 ARG 95 95 GLU
96 96 ALA 97 97 PHE 98 98 ARG 99 99 LEU 100 100 TYR
101 101 ASP 102 102 LYS 103 103 ASP 104 104 GLY 105 105 ASN
106 106 GLY 107 107 TYR 108 108 ILE 109 109 THR 110 110 THR
111 111 GLU 112 112 VAL 113 113 LEU 114 114 ARG 115 115 GLU
116 116 ILE 117 117 LEU 118 118 LYS 119 119 GLU 120 120 LEU
121 121 ASP 122 122 ASP 123 123 LYS 124 124 ILE 125 125 THR
126 126 PRO 127 127 GLU 128 128 ASP 129 129 LEU 130 130 ASP
131 131 MET 132 132 MET 133 133 ILE 134 134 GLN 135 135 GLU
136 136 ILE 137 137 ASP 138 138 SER 139 139 ASP 140 140 GLY
141 141 SER 142 142 GLY 143 143 THR 144 144 VAL 145 145 ASP
146 146 PHE 147 147 ASP 148 148 GLU 149 149 PHE 150 150 MET
151 151 GLU 152 152 VAL 153 153 MET 154 154 ILE 155 155 GLY
156 156 GLY 157 157 ASP 158 158 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Holo_F2_TnC 'Lethocerus Indicus' 212017 Eukaryota Metazoa Lethocerus Indicus
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
$Holo_F2_TnC 'recombinant technology' . Escherichia coli . pet11a
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$Holo_F2_TnC . mM 0.5 1.0 '[U-98% 13C; U-98% 15N]'
D2O 10 % . . [U-2H]
H2O 90 % . . 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_XEASY
_Saveframe_category software
_Name XEASY
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bartels et al.' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HN(CO)CA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.1 . M
pH 6.8 . pH
pressure 1 . atm
temperature 298.2 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
acetate C 13 'methyl carbon' ppm 54 internal direct . . . 1
water H 1 protons ppm 4.7 internal direct . . . 1
'[15N] ammonium sulfate' N 15 nitrogen ppm 118 internal direct . . . 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_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$XEASY
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D HNCO'
'3D HNCA'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D HN(CO)CA'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'Holo F2 TnC'
_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 C C 176.038 0.000 .
2 1 1 MET CA C 55.735 0.000 .
3 1 1 MET CB C 38.174 0.000 .
4 2 2 VAL H H 8.244 0.000 .
5 2 2 VAL HA H 4.12 0.000 .
6 2 2 VAL C C 175.334 0.000 .
7 2 2 VAL CA C 62.145 0.000 .
8 2 2 VAL CB C 33.02 0.000 .
9 2 2 VAL N N 122.234 0.000 .
10 3 3 ALA H H 8.576 0.000 .
11 3 3 ALA HA H 4.308 0.000 .
12 3 3 ALA C C 177.915 0.000 .
13 3 3 ALA CA C 52.553 0.000 .
14 3 3 ALA CB C 19.658 0.000 .
15 3 3 ALA N N 128.321 0.000 .
16 4 4 MET H H 8.369 0.000 .
17 4 4 MET HA H 4.12 0.000 .
18 4 4 MET C C 176.608 0.000 .
19 4 4 MET CA C 57.052 0.000 .
20 4 4 MET CB C 32.574 0.000 .
21 4 4 MET N N 118.812 0.000 .
22 5 5 ASP H H 8.082 0.000 .
23 5 5 ASP HA H 4.511 0.000 .
24 5 5 ASP C C 176.138 0.000 .
25 5 5 ASP CA C 55.158 0.000 .
26 5 5 ASP CB C 40.719 0.000 .
27 5 5 ASP N N 117.281 0.000 .
28 6 6 ASP H H 7.942 0.000 .
29 6 6 ASP HA H 4.62 0.000 .
30 6 6 ASP C C 176.138 0.000 .
31 6 6 ASP CA C 54.844 0.000 .
32 6 6 ASP CB C 41.546 0.000 .
33 6 6 ASP N N 118.313 0.000 .
34 7 7 LEU H H 7.59 0.000 .
35 7 7 LEU HA H 4.448 0.000 .
36 7 7 LEU C C 176.351 0.000 .
37 7 7 LEU CA C 54.208 0.000 .
38 7 7 LEU CB C 43.2 0.000 .
39 7 7 LEU N N 120.411 0.000 .
40 8 8 ASP H H 8.663 0.000 .
41 8 8 ASP HA H 4.699 0.000 .
42 8 8 ASP C C 177.032 0.000 .
43 8 8 ASP CA C 53.19 0.000 .
44 8 8 ASP CB C 42.182 0.000 .
45 8 8 ASP N N 121.064 0.000 .
46 9 9 LYS H H 8.568 0.000 .
47 9 9 LYS HA H 4.026 0.000 .
48 9 9 LYS C C 179.155 0.000 .
49 9 9 LYS CA C 59.716 0.000 .
50 9 9 LYS CB C 32.129 0.000 .
51 9 9 LYS N N 119.362 0.000 .
52 10 10 ASP H H 8.509 0.000 .
53 10 10 ASP HA H 4.558 0.000 .
54 10 10 ASP C C 179.077 0.000 .
55 10 10 ASP CA C 57.198 0.000 .
56 10 10 ASP CB C 40.146 0.000 .
57 10 10 ASP N N 121.099 0.000 .
58 11 11 GLN H H 8.32 0.000 .
59 11 11 GLN HA H 4.135 0.000 .
60 11 11 GLN C C 178.63 0.000 .
61 11 11 GLN CA C 58.98 0.000 .
62 11 11 GLN CB C 29.52 0.000 .
63 11 11 GLN N N 122.44 0.000 .
64 12 12 ILE H H 8.238 0.001 .
65 12 12 ILE HA H 3.713 0.000 .
66 12 12 ILE C C 177.502 0.000 .
67 12 12 ILE CA C 64.833 0.000 .
68 12 12 ILE CB C 37.219 0.000 .
69 12 12 ILE N N 119.035 0.000 .
70 13 13 ALA H H 7.877 0.000 .
71 13 13 ALA HA H 4.198 0.000 .
72 13 13 ALA C C 180.652 0.000 .
73 13 13 ALA CA C 55.416 0.000 .
74 13 13 ALA CB C 18.195 0.000 .
75 13 13 ALA N N 121.285 0.006 .
76 14 14 LEU H H 7.752 0.000 .
77 14 14 LEU HA H 4.151 0.000 .
78 14 14 LEU C C 179.49 0.000 .
79 14 14 LEU CA C 58.534 0.000 .
80 14 14 LEU CB C 41.991 0.000 .
81 14 14 LEU N N 120.325 0.000 .
82 15 15 LEU H H 8.27 0.000 .
83 15 15 LEU HA H 4.292 0.000 .
84 15 15 LEU C C 179.144 0.000 .
85 15 15 LEU CA C 58.152 0.000 .
86 15 15 LEU CB C 41.546 0.000 .
87 15 15 LEU N N 119.723 0.000 .
88 16 16 LYS H H 9.075 0.000 .
89 16 16 LYS HA H 3.995 0.000 .
90 16 16 LYS C C 178.172 0.000 .
91 16 16 LYS CA C 60.061 0.000 .
92 16 16 LYS CB C 32.32 0.000 .
93 16 16 LYS N N 121.322 0.000 .
94 17 17 ARG H H 7.975 0.002 .
95 17 17 ARG HA H 4.151 0.000 .
96 17 17 ARG C C 179.624 0.000 .
97 17 17 ARG CA C 59.425 0.000 .
98 17 17 ARG CB C 30.411 0.000 .
99 17 17 ARG N N 118.468 0.000 .
100 18 18 ALA H H 8.222 0.000 .
101 18 18 ALA HA H 4.23 0.000 .
102 18 18 ALA C C 178.116 0.000 .
103 18 18 ALA CA C 55.226 0.000 .
104 18 18 ALA CB C 18.386 0.000 .
105 18 18 ALA N N 121.924 0.000 .
106 19 19 PHE H H 8.837 0.000 .
107 19 19 PHE HA H 3.604 0.000 .
108 19 19 PHE HZ H 7.125 0.000 .
109 19 19 PHE C C 177.356 0.000 .
110 19 19 PHE CA C 62.161 0.000 .
111 19 19 PHE CB C 40.146 0.000 .
112 19 19 PHE N N 117.505 0.000 .
113 20 20 GLU H H 8.786 0.000 .
114 20 20 GLU HA H 3.885 0.000 .
115 20 20 GLU C C 179.334 0.000 .
116 20 20 GLU CA C 59.361 0.000 .
117 20 20 GLU CB C 29.393 0.000 .
118 20 20 GLU N N 116.783 0.000 .
119 21 21 ALA H H 7.784 0.000 .
120 21 21 ALA HA H 3.995 0.000 .
121 21 21 ALA C C 178.831 0.000 .
122 21 21 ALA CA C 54.78 0.000 .
123 21 21 ALA CB C 17.877 0.000 .
124 21 21 ALA N N 121.271 0.000 .
125 22 22 PHE H H 7.344 0.000 .
126 22 22 PHE HA H 4.354 0.000 .
127 22 22 PHE C C 176.731 0.000 .
128 22 22 PHE CA C 59.616 0.000 .
129 22 22 PHE CB C 40.528 0.000 .
130 22 22 PHE N N 114.326 0.000 .
131 23 23 ALA H H 8.628 0.000 .
132 23 23 ALA HA H 3.713 0.000 .
133 23 23 ALA C C 179.055 0.000 .
134 23 23 ALA CA C 54.208 0.000 .
135 23 23 ALA CB C 18.704 0.000 .
136 23 23 ALA N N 123.317 0.000 .
137 24 24 GLN H H 7.963 0.000 .
138 24 24 GLN HA H 3.744 0.000 .
139 24 24 GLN C C 176.585 0.000 .
140 24 24 GLN CA C 57.325 0.000 .
141 24 24 GLN CB C 26.53 0.000 .
142 24 24 GLN N N 113.302 0.000 .
143 25 25 GLU H H 9.068 0.000 .
144 25 25 GLU HA H 4.182 0.000 .
145 25 25 GLU C C 175.513 0.000 .
146 25 25 GLU CA C 57.58 0.000 .
147 25 25 GLU CB C 28.248 0.000 .
148 25 25 GLU N N 119.758 0.000 .
149 26 26 LYS H H 7.899 0.000 .
150 26 26 LYS HA H 4.354 0.000 .
151 26 26 LYS C C 175.758 0.000 .
152 26 26 LYS CA C 55.735 0.000 .
153 26 26 LYS CB C 33.338 0.000 .
154 26 26 LYS N N 119.551 0.000 .
155 27 27 SER H H 8.293 0.000 .
156 27 27 SER HA H 4.605 0.000 .
157 27 27 SER C C 172.887 0.000 .
158 27 27 SER CA C 58.343 0.000 .
159 27 27 SER CB C 63.879 0.000 .
160 27 27 SER N N 110.856 0.000 .
161 28 28 TYR H H 6.835 0.000 .
162 28 28 TYR HA H 5.566 0.000 .
163 28 28 TYR C C 172.753 0.000 .
164 28 28 TYR CA C 55.388 0.000 .
165 28 28 TYR CB C 41.164 0.000 .
166 28 28 TYR N N 115.313 0.000 .
167 29 29 ILE H H 8.312 0.000 .
168 29 29 ILE HA H 4.495 0.000 .
169 29 29 ILE CA C 58.789 0.000 .
170 29 29 ILE CB C 41.419 0.000 .
171 29 29 ILE N N 111.832 0.000 .
172 30 30 GLU H H 8.361 0.000 .
173 30 30 GLU HA H 4.616 0.000 .
174 30 30 GLU C C 178.161 0.000 .
175 30 30 GLU CA C 56.116 0.000 .
176 30 30 GLU CB C 30.92 0.000 .
177 30 30 GLU N N 124.039 0.000 .
178 31 31 ALA H H 9.01 0.000 .
179 31 31 ALA HA H 3.859 0.000 .
180 31 31 ALA C C 179.222 0.000 .
181 31 31 ALA CA C 55.989 0.000 .
182 31 31 ALA CB C 18.322 0.000 .
183 31 31 ALA N N 124.847 0.000 .
184 32 32 ASN H H 8.565 0.001 .
185 32 32 ASN HA H 4.464 0.000 .
186 32 32 ASN C C 176.954 0.000 .
187 32 32 ASN CA C 55.162 0.000 .
188 32 32 ASN CB C 37.219 0.000 .
189 32 32 ASN N N 112.375 0.000 .
190 33 33 MET H H 7.739 0.000 .
191 33 33 MET HA H 4.386 0.000 .
192 33 33 MET C C 177.144 0.000 .
193 33 33 MET CA C 55.989 0.000 .
194 33 33 MET CB C 32.32 0.000 .
195 33 33 MET N N 118.657 0.000 .
196 34 34 VAL H H 7.532 0.000 .
197 34 34 VAL HA H 3.291 0.000 .
198 34 34 VAL C C 177.289 0.000 .
199 34 34 VAL CA C 67.251 0.000 .
200 34 34 VAL CB C 31.238 0.000 .
201 34 34 VAL N N 119.139 0.000 .
202 35 35 GLY H H 8.72 0.000 .
203 35 35 GLY HA2 H 3.979 0.000 .
204 35 35 GLY HA3 H 3.541 0.000 .
205 35 35 GLY C C 176.295 0.000 .
206 35 35 GLY CA C 47.845 0.000 .
207 35 35 GLY N N 106.851 0.000 .
208 36 36 THR H H 7.668 0.000 .
209 36 36 THR HA H 4.104 0.000 .
210 36 36 THR C C 176.116 0.000 .
211 36 36 THR CA C 66.551 0.000 .
212 36 36 THR CB C 68.587 0.000 .
213 36 36 THR N N 119.654 0.000 .
214 37 37 ILE H H 7.739 0.000 .
215 37 37 ILE HA H 3.432 0.000 .
216 37 37 ILE C C 177.691 0.000 .
217 37 37 ILE CA C 65.915 0.000 .
218 37 37 ILE CB C 37.919 0.000 .
219 37 37 ILE N N 122.302 0.000 .
220 38 38 LEU H H 8.33 0.000 .
221 38 38 LEU HA H 3.917 0.000 .
222 38 38 LEU C C 179.289 0.000 .
223 38 38 LEU CA C 58.598 0.000 .
224 38 38 LEU CB C 40.019 0.000 .
225 38 38 LEU N N 117.969 0.000 .
226 39 39 GLN H H 8.074 0.000 .
227 39 39 GLN HA H 3.938 0.000 .
228 39 39 GLN C C 180.686 0.000 .
229 39 39 GLN CA C 59.761 0.000 .
230 39 39 GLN CB C 28.184 0.000 .
231 39 39 GLN N N 119.225 0.000 .
232 40 40 MET H H 8.162 0.000 .
233 40 40 MET HA H 4.151 0.000 .
234 40 40 MET C C 177.524 0.000 .
235 40 40 MET CA C 59.107 0.000 .
236 40 40 MET CB C 32.384 0.000 .
237 40 40 MET N N 122.182 0.000 .
238 41 41 LEU H H 7.679 0.000 .
239 41 41 LEU HA H 4.401 0.000 .
240 41 41 LEU C C 176.407 0.000 .
241 41 41 LEU CA C 54.907 0.000 .
242 41 41 LEU CB C 42.246 0.000 .
243 41 41 LEU N N 117.178 0.000 .
244 42 42 GLY H H 7.787 0.000 .
245 42 42 GLY HA2 H 4.089 0.000 .
246 42 42 GLY HA3 H 3.682 0.000 .
247 42 42 GLY C C 173.982 0.000 .
248 42 42 GLY CA C 45.427 0.000 .
249 42 42 GLY N N 106.427 0.000 .
250 43 43 HIS H H 8.328 0.000 .
251 43 43 HIS HA H 4.683 0.000 .
252 43 43 HIS C C 172.529 0.000 .
253 43 43 HIS CA C 54.653 0.000 .
254 43 43 HIS CB C 30.856 0.000 .
255 43 43 HIS N N 120.342 0.000 .
256 44 44 GLU H H 8.471 0.000 .
257 44 44 GLU HA H 4.225 0.000 .
258 44 44 GLU C C 175.457 0.000 .
259 44 44 GLU CA C 56.18 0.000 .
260 44 44 GLU CB C 29.966 0.000 .
261 44 44 GLU N N 123.523 0.000 .
262 45 45 VAL H H 8.272 0.000 .
263 45 45 VAL HA H 4.417 0.000 .
264 45 45 VAL C C 174.932 0.000 .
265 45 45 VAL CA C 60.316 0.000 .
266 45 45 VAL CB C 34.61 0.000 .
267 45 45 VAL N N 123.764 0.000 .
268 46 46 SER H H 8.665 0.000 .
269 46 46 SER HA H 4.495 0.000 .
270 46 46 SER C C 174.641 0.000 .
271 46 46 SER CA C 57.707 0.000 .
272 46 46 SER CB C 64.642 0.000 .
273 46 46 SER N N 121.34 0.000 .
274 47 47 ASP H H 8.824 0.000 .
275 47 47 ASP HA H 4.33 0.000 .
276 47 47 ASP C C 178.652 0.000 .
277 47 47 ASP CA C 57.771 0.000 .
278 47 47 ASP CB C 40.337 0.000 .
279 47 47 ASP N N 122.698 0.000 .
280 48 48 LYS H H 8.33 0.000 .
281 48 48 LYS HA H 4.089 0.000 .
282 48 48 LYS C C 178.708 0.000 .
283 48 48 LYS CA C 59.234 0.000 .
284 48 48 LYS CB C 32.638 0.000 .
285 48 48 LYS N N 119.826 0.000 .
286 49 49 GLN H H 7.636 0.000 .
287 49 49 GLN HA H 4.167 0.000 .
288 49 49 GLN C C 178.519 0.000 .
289 49 49 GLN CA C 58.343 0.000 .
290 49 49 GLN CB C 29.011 0.000 .
291 49 49 GLN N N 118.623 0.000 .
292 50 50 LEU H H 8.427 0.000 .
293 50 50 LEU HA H 4.026 0.000 .
294 50 50 LEU C C 178.15 0.000 .
295 50 50 LEU CA C 57.962 0.000 .
296 50 50 LEU CB C 41.737 0.000 .
297 50 50 LEU N N 119.672 0.000 .
298 51 51 THR H H 8.077 0.000 .
299 51 51 THR HA H 4.245 0.000 .
300 51 51 THR C C 176.116 0.000 .
301 51 51 THR CA C 66.869 0.000 .
302 51 51 THR CB C 68.905 0.000 .
303 51 51 THR N N 113.262 0.000 .
304 52 52 GLU H H 7.422 0.000 .
305 52 52 GLU HA H 4.073 0.000 .
306 52 52 GLU C C 179.024 0.000 .
307 52 52 GLU CA C 59.298 0.000 .
308 52 52 GLU CB C 29.584 0.000 .
309 52 52 GLU N N 118.691 0.000 .
310 53 53 ILE H H 8.015 0.000 .
311 53 53 ILE HA H 3.948 0.000 .
312 53 53 ILE C C 177.669 0.000 .
313 53 53 ILE CA C 64.453 0.000 .
314 53 53 ILE CB C 38.174 0.000 .
315 53 53 ILE N N 119.345 0.000 .
316 54 54 ILE H H 8.364 0.001 .
317 54 54 ILE HA H 3.572 0.000 .
318 54 54 ILE C C 177.055 0.000 .
319 54 54 ILE CA C 66.169 0.000 .
320 54 54 ILE CB C 37.601 0.000 .
321 54 54 ILE N N 120.892 0.000 .
322 55 55 VAL H H 7.321 0.000 .
323 55 55 VAL HA H 3.791 0.000 .
324 55 55 VAL C C 178.608 0.000 .
325 55 55 VAL CA C 65.699 0.000 .
326 55 55 VAL CB C 31.747 0.000 .
327 55 55 VAL N N 116.129 0.000 .
328 56 56 GLU H H 7.469 0.001 .
329 56 56 GLU HA H 4.01 0.000 .
330 56 56 GLU C C 178.731 0.000 .
331 56 56 GLU CA C 59.079 0.000 .
332 56 56 GLU CB C 30.093 0.000 .
333 56 56 GLU N N 118.502 0.000 .
334 57 57 VAL H H 7.853 0.000 .
335 57 57 VAL HA H 4.354 0.000 .
336 57 57 VAL C C 176.798 0.000 .
337 57 57 VAL CA C 62.288 0.000 .
338 57 57 VAL CB C 31.811 0.000 .
339 57 57 VAL N N 109.781 0.000 .
340 58 58 ASP H H 7.791 0.000 .
341 58 58 ASP HA H 4.996 0.000 .
342 58 58 ASP C C 177.669 0.000 .
343 58 58 ASP CA C 52.935 0.000 .
344 58 58 ASP CB C 38.873 0.000 .
345 58 58 ASP N N 122.062 0.000 .
346 59 59 ALA H H 8.279 0.000 .
347 59 59 ALA HA H 4.12 0.000 .
348 59 59 ALA C C 178.585 0.000 .
349 59 59 ALA CA C 54.907 0.000 .
350 59 59 ALA CB C 19.086 0.000 .
351 59 59 ALA N N 129.869 0.000 .
352 60 60 ASP H H 8.181 0.000 .
353 60 60 ASP HA H 4.652 0.000 .
354 60 60 ASP C C 177.781 0.000 .
355 60 60 ASP CA C 52.68 0.000 .
356 60 60 ASP CB C 40.146 0.000 .
357 60 60 ASP N N 113.45 0.000 .
358 61 61 GLY H H 7.951 0.000 .
359 61 61 GLY HA2 H 3.854 0.000 .
360 61 61 GLY HA3 H 3.854 0.000 .
361 61 61 GLY C C 175.177 0.000 .
362 61 61 GLY CA C 46.89 0.000 .
363 61 61 GLY N N 109.228 0.000 .
364 62 62 SER H H 8.384 0.000 .
365 62 62 SER HA H 4.198 0.000 .
366 62 62 SER C C 175.881 0.000 .
367 62 62 SER CA C 59.361 0.000 .
368 62 62 SER CB C 64.579 0.000 .
369 62 62 SER N N 116.404 0.000 .
370 63 63 GLY H H 10.497 0.000 .
371 63 63 GLY HA2 H 4.135 0.000 .
372 63 63 GLY HA3 H 3.469 0.000 .
373 63 63 GLY C C 172.775 0.000 .
374 63 63 GLY CA C 45.363 0.000 .
375 63 63 GLY N N 115.649 0.000 .
376 64 64 GLN H H 7.886 0.000 .
377 64 64 GLN HA H 4.605 0.000 .
378 64 64 GLN C C 174.027 0.000 .
379 64 64 GLN CA C 53.253 0.000 .
380 64 64 GLN CB C 30.475 0.000 .
381 64 64 GLN N N 116.783 0.000 .
382 65 65 LEU H H 9.116 0.000 .
383 65 65 LEU HA H 5.444 0.000 .
384 65 65 LEU C C 176.105 0.000 .
385 65 65 LEU CA C 53.891 0.000 .
386 65 65 LEU CB C 42.118 0.000 .
387 65 65 LEU N N 125.518 0.000 .
388 66 66 GLU H H 7.912 0.000 .
389 66 66 GLU HA H 5.152 0.000 .
390 66 66 GLU C C 177.502 0.000 .
391 66 66 GLU CA C 57.389 0.000 .
392 66 66 GLU CB C 29.838 0.000 .
393 66 66 GLU N N 124.59 0.000 .
394 67 67 PHE H H 9.262 0.000 .
395 67 67 PHE HA H 3.354 0.000 .
396 67 67 PHE HE1 H 7.2 0.000 .
397 67 67 PHE HE2 H 7.2 0.000 .
398 67 67 PHE HZ H 7.373 0.000 .
399 67 67 PHE C C 176.563 0.000 .
400 67 67 PHE CA C 62.844 0.000 .
401 67 67 PHE CB C 38.428 0.000 .
402 67 67 PHE N N 122.612 0.000 .
403 68 68 GLU H H 9.376 0.000 .
404 68 68 GLU HA H 3.525 0.000 .
405 68 68 GLU C C 179.177 0.000 .
406 68 68 GLU CA C 60.57 0.000 .
407 68 68 GLU CB C 28.439 0.000 .
408 68 68 GLU N N 115.582 0.000 .
409 69 69 GLU H H 6.945 0.000 .
410 69 69 GLU HA H 4.182 0.000 .
411 69 69 GLU C C 178.24 0.000 .
412 69 69 GLU CA C 58.314 0.000 .
413 69 69 GLU CB C 30.093 0.000 .
414 69 69 GLU N N 118.158 0.000 .
415 70 70 PHE H H 8.372 0.003 .
416 70 70 PHE HA H 4.208 0.000 .
417 70 70 PHE C C 176.753 0.000 .
418 70 70 PHE CA C 60.952 0.000 .
419 70 70 PHE CB C 38.873 0.000 .
420 70 70 PHE N N 119.518 0.003 .
421 71 71 VAL H H 8.373 0.000 .
422 71 71 VAL HA H 2.915 0.000 .
423 71 71 VAL C C 176.138 0.000 .
424 71 71 VAL CA C 67.251 0.000 .
425 71 71 VAL CB C 30.92 0.000 .
426 71 71 VAL N N 119.517 0.000 .
427 72 72 THR H H 7.321 0.000 .
428 72 72 THR HA H 4.354 0.000 .
429 72 72 THR C C 176.138 0.000 .
430 72 72 THR CA C 66.869 0.000 .
431 72 72 THR CB C 68.396 0.000 .
432 72 72 THR N N 115.335 0.000 .
433 73 73 LEU H H 7.8 0.000 .
434 73 73 LEU HA H 3.807 0.000 .
435 73 73 LEU C C 177.557 0.000 .
436 73 73 LEU CA C 59.043 0.000 .
437 73 73 LEU CB C 42.118 0.000 .
438 73 73 LEU N N 122.457 0.000 .
439 74 74 ALA H H 8.628 0.000 .
440 74 74 ALA HA H 3.713 0.000 .
441 74 74 ALA C C 179.557 0.000 .
442 74 74 ALA CA C 54.971 0.000 .
443 74 74 ALA CB C 18.386 0.000 .
444 74 74 ALA N N 119.844 0.000 .
445 75 75 ALA H H 8.542 0.000 .
446 75 75 ALA HA H 3.807 0.000 .
447 75 75 ALA C C 179.032 0.000 .
448 75 75 ALA CA C 55.289 0.000 .
449 75 75 ALA CB C 18.195 0.000 .
450 75 75 ALA N N 118.829 0.000 .
451 76 76 ARG H H 7.269 0.000 .
452 76 76 ARG HA H 3.917 0.000 .
453 76 76 ARG C C 176.887 0.000 .
454 76 76 ARG CA C 57.771 0.000 .
455 76 76 ARG CB C 29.075 0.000 .
456 76 76 ARG N N 114.862 0.000 .
457 77 77 PHE H H 7.398 0.000 .
458 77 77 PHE HA H 4.339 0.000 .
459 77 77 PHE C C 176.049 0.000 .
460 77 77 PHE CA C 58.916 0.000 .
461 77 77 PHE CB C 39.51 0.000 .
462 77 77 PHE N N 115.571 0.000 .
463 78 78 LEU H H 7.655 0.000 .
464 78 78 LEU HA H 4.245 0.000 .
465 78 78 LEU C C 177.446 0.000 .
466 78 78 LEU CA C 55.862 0.000 .
467 78 78 LEU CB C 42.118 0.000 .
468 78 78 LEU N N 118.176 0.000 .
469 79 79 THR H H 7.585 0.000 .
470 79 79 THR HA H 4.401 0.000 .
471 79 79 THR C C 174.429 0.000 .
472 79 79 THR CA C 61.779 0.000 .
473 79 79 THR CB C 69.86 0.000 .
474 79 79 THR N N 110.987 0.000 .
475 80 80 GLU H H 8.123 0.000 .
476 80 80 GLU HA H 4.339 0.000 .
477 80 80 GLU C C 176.094 0.000 .
478 80 80 GLU CA C 56.562 0.000 .
479 80 80 GLU CB C 30.284 0.000 .
480 80 80 GLU N N 122.836 0.000 .
481 81 81 ASP H H 8.408 0.001 .
482 81 81 ASP HA H 4.66 0.000 .
483 81 81 ASP C C 175.926 0.000 .
484 81 81 ASP CA C 54.335 0.000 .
485 81 81 ASP CB C 41.125 0.000 .
486 81 81 ASP N N 121.984 0.096 .
487 82 82 ASN H H 8.455 0.000 .
488 82 82 ASN HA H 4.777 0.000 .
489 82 82 ASN C C 175.367 0.000 .
490 82 82 ASN CA C 53.253 0.000 .
491 82 82 ASN CB C 39.064 0.000 .
492 82 82 ASN N N 119.93 0.000 .
493 83 83 GLU H H 8.479 0.000 .
494 83 83 GLU HA H 4.294 0.000 .
495 83 83 GLU C C 176.664 0.000 .
496 83 83 GLU CA C 56.816 0.000 .
497 83 83 GLU CB C 30.093 0.000 .
498 83 83 GLU N N 121.769 0.000 .
499 84 84 GLU H H 8.488 0.000 .
500 84 84 GLU HA H 4.276 0.000 .
501 84 84 GLU C C 176.429 0.000 .
502 84 84 GLU CA C 56.78 0.000 .
503 84 84 GLU CB C 30.208 0.000 .
504 84 84 GLU N N 122.062 0.000 .
505 85 85 ASP H H 8.405 0.001 .
506 85 85 ASP HA H 4.652 0.000 .
507 85 85 ASP C C 176.429 0.000 .
508 85 85 ASP CA C 54.481 0.000 .
509 85 85 ASP CB C 41.137 0.000 .
510 85 85 ASP N N 121.787 0.000 .
511 86 86 SER H H 8.257 0.000 .
512 86 86 SER HA H 4.417 0.000 .
513 86 86 SER C C 174.217 0.000 .
514 86 86 SER CA C 58.519 0.000 .
515 86 86 SER CB C 63.906 0.000 .
516 86 86 SER N N 116.576 0.000 .
517 87 87 ALA H H 8.3 0.000 .
518 87 87 ALA HA H 4.37 0.000 .
519 87 87 ALA C C 176.485 0.000 .
520 87 87 ALA CA C 52.553 0.000 .
521 87 87 ALA CB C 19.404 0.000 .
522 87 87 ALA N N 126.619 0.000 .
523 88 88 ALA H H 7.869 0.000 .
524 88 88 ALA HA H 4.104 0.000 .
525 88 88 ALA C C 172.697 0.000 .
526 88 88 ALA CA C 53.889 0.000 .
527 88 88 ALA CB C 20.167 0.000 .
528 88 88 ALA N N 129.112 0.000 .
529 89 89 MET H H 9.003 0.000 .
530 89 89 MET C C 177.833 0.000 .
531 89 89 MET CA C 58.679 0.000 .
532 89 89 MET CB C 32.637 0.000 .
533 89 89 MET N N 122.000 0.000 .
534 90 90 MET H H 8.909 0.000 .
535 90 90 MET HA H 4.204 0.000 .
536 90 90 MET C C 178.119 0.000 .
537 90 90 MET CA C 58.910 0.000 .
538 90 90 MET CB C 31.357 0.000 .
539 90 90 MET N N 117.929 0.000 .
540 91 91 GLU H H 8.272 0.000 .
541 91 91 GLU HA H 3.959 0.000 .
542 91 91 GLU C C 179.620 0.000 .
543 91 91 GLU CA C 61.031 0.000 .
544 91 91 GLU CB C 28.400 0.000 .
545 91 91 GLU N N 118.595 0.000 .
546 92 92 GLU H H 8.097 0.000 .
547 92 92 GLU HA H 4.126 0.000 .
548 92 92 GLU C C 180.246 0.000 .
549 92 92 GLU CA C 59.408 0.000 .
550 92 92 GLU CB C 29.199 0.000 .
551 92 92 GLU N N 119.892 0.000 .
552 93 93 LEU H H 8.585 0.000 .
553 93 93 LEU HA H 4.333 0.000 .
554 93 93 LEU C C 178.941 0.000 .
555 93 93 LEU CA C 58.209 0.000 .
556 93 93 LEU CB C 41.826 0.000 .
557 93 93 LEU N N 121.578 0.000 .
558 94 94 ARG H H 8.428 0.000 .
559 94 94 ARG HA H 3.934 0.000 .
560 94 94 ARG C C 178.941 0.000 .
561 94 94 ARG CA C 60.127 0.000 .
562 94 94 ARG CB C 29.918 0.000 .
563 94 94 ARG N N 120.199 0.000 .
564 95 95 GLU H H 7.912 0.000 .
565 95 95 GLU HA H 4.125 0.000 .
566 95 95 GLU C C 178.476 0.000 .
567 95 95 GLU CA C 58.849 0.000 .
568 95 95 GLU CB C 29.199 0.000 .
569 95 95 GLU N N 118.688 0.000 .
570 96 96 ALA H H 7.977 0.000 .
571 96 96 ALA HA H 4.125 0.000 .
572 96 96 ALA C C 179.030 0.000 .
573 96 96 ALA CA C 55.252 0.000 .
574 96 96 ALA CB C 18.010 0.000 .
575 96 96 ALA N N 122.021 0.000 .
576 97 97 PHE H H 8.432 0.000 .
577 97 97 PHE HA H 3.619 0.000 .
578 97 97 PHE C C 177.082 0.000 .
579 97 97 PHE CA C 62.365 0.000 .
580 97 97 PHE CB C 39.828 0.000 .
581 97 97 PHE N N 117.427 0.000 .
582 98 98 ARG H H 7.973 0.000 .
583 98 98 ARG HA H 3.946 0.000 .
584 98 98 ARG C C 178.565 0.000 .
585 98 98 ARG CA C 59.089 0.000 .
586 98 98 ARG CB C 30.238 0.000 .
587 98 98 ARG N N 116.107 0.000 .
588 99 99 LEU H H 7.679 0.000 .
589 99 99 LEU HA H 3.916 0.000 .
590 99 99 LEU C C 178.816 0.000 .
591 99 99 LEU CA C 57.170 0.000 .
592 99 99 LEU CB C 41.746 0.000 .
593 99 99 LEU N N 118.560 0.000 .
594 100 100 TYR H H 7.486 0.000 .
595 100 100 TYR HA H 4.303 0.000 .
596 100 100 TYR C C 176.635 0.000 .
597 100 100 TYR CA C 59.808 0.000 .
598 100 100 TYR CB C 38.789 0.000 .
599 100 100 TYR N N 115.581 0.000 .
600 101 101 ASP H H 7.912 0.000 .
601 101 101 ASP HA H 4.809 0.000 .
602 101 101 ASP C C 177.368 0.000 .
603 101 101 ASP CA C 52.535 0.000 .
604 101 101 ASP CB C 39.029 0.000 .
605 101 101 ASP N N 121.998 0.000 .
606 102 102 LYS H H 7.715 0.000 .
607 102 102 LYS HA H 3.961 0.000 .
608 102 102 LYS C C 177.904 0.000 .
609 102 102 LYS CA C 59.168 0.000 .
610 102 102 LYS CB C 32.316 0.000 .
611 102 102 LYS N N 122.325 0.000 .
612 103 103 ASP H H 8.296 0.000 .
613 103 103 ASP C C 176.921 0.000 .
614 103 103 ASP CA C 53.654 0.000 .
615 103 103 ASP CB C 40.176 0.000 .
616 103 103 ASP N N 114.280 0.000 .
617 104 104 GLY H H 7.685 0.000 .
618 104 104 GLY HA2 H 3.876 0.000 .
619 104 104 GLY HA3 H 3.787 0.000 .
620 104 104 GLY C C 175.283 0.000 .
621 104 104 GLY CA C 47.022 0.000 .
622 104 104 GLY N N 108.737 0.000 .
623 105 105 ASN C C 176.313 0.000 .
624 105 105 ASN CA C 53.254 0.000 .
625 105 105 ASN CB C 38.469 0.000 .
626 106 106 GLY H H 10.518 0.000 .
627 106 106 GLY HA2 H 4.259 0.000 .
628 106 106 GLY HA3 H 3.604 0.000 .
629 106 106 GLY C C 173.327 0.000 .
630 106 106 GLY CA C 45.342 0.000 .
631 106 106 GLY N N 112.018 0.000 .
632 107 107 TYR H H 7.393 0.000 .
633 107 107 TYR HA H 5.566 0.000 .
634 107 107 TYR CA C 56.531 0.000 .
635 107 107 TYR CB C 41.586 0.000 .
636 107 107 TYR N N 114.369 0.000 .
637 108 108 ILE C C 175.902 0.000 .
638 108 108 ILE CA C 59.089 0.000 .
639 108 108 ILE CB C 41.267 0.000 .
640 109 109 THR H H 8.245 0.000 .
641 109 109 THR HA H 4.987 0.000 .
642 109 109 THR C C 176.152 0.000 .
643 109 109 THR CA C 61.806 0.000 .
644 109 109 THR CB C 70.597 0.000 .
645 109 109 THR N N 112.869 0.000 .
646 110 110 THR H H 8.102 0.000 .
647 110 110 THR HA H 3.844 0.000 .
648 110 110 THR C C 177.028 0.000 .
649 110 110 THR CA C 65.402 0.000 .
650 110 110 THR CB C 67.480 0.000 .
651 110 110 THR N N 110.707 0.000 .
652 111 111 GLU H H 8.279 0.000 .
653 111 111 GLU C C 179.048 0.000 .
654 111 111 GLU CA C 60.527 0.000 .
655 111 111 GLU CB C 29.119 0.000 .
656 111 111 GLU N N 121.649 0.029 .
657 112 112 VAL H H 7.435 0.000 .
658 112 112 VAL HA H 3.755 0.000 .
659 112 112 VAL C C 178.083 0.000 .
660 112 112 VAL CA C 66.041 0.000 .
661 112 112 VAL CB C 31.437 0.000 .
662 112 112 VAL N N 121.251 0.000 .
663 113 113 LEU H H 7.966 0.000 .
664 113 113 LEU HA H 3.859 0.000 .
665 113 113 LEU C C 177.475 0.000 .
666 113 113 LEU CA C 57.730 0.000 .
667 113 113 LEU CB C 41.187 0.000 .
668 113 113 LEU N N 120.374 0.000 .
669 114 114 ARG C C 177.314 0.000 .
670 114 114 ARG CA C 60.447 0.000 .
671 114 114 ARG CB C 30.637 0.000 .
672 115 115 GLU H H 7.108 0.000 .
673 115 115 GLU HA H 3.948 0.000 .
674 115 115 GLU C C 179.281 0.000 .
675 115 115 GLU CA C 59.009 0.000 .
676 115 115 GLU CB C 29.119 0.000 .
677 115 115 GLU N N 116.189 0.000 .
678 116 116 ILE H H 7.799 0.000 .
679 116 116 ILE HA H 3.443 0.000 .
680 116 116 ILE C C 178.458 0.000 .
681 116 116 ILE CA C 65.482 0.000 .
682 116 116 ILE CB C 38.310 0.000 .
683 116 116 ILE N N 120.550 0.000 .
684 117 117 LEU H H 8.323 0.000 .
685 117 117 LEU HA H 3.936 0.000 .
686 117 117 LEU C C 179.066 0.000 .
687 117 117 LEU CA C 58.369 0.000 .
688 117 117 LEU CB C 41.347 0.000 .
689 117 117 LEU N N 118.303 0.000 .
690 118 118 LYS H H 7.701 0.000 .
691 118 118 LYS HA H 4.070 0.000 .
692 118 118 LYS C C 178.208 0.000 .
693 118 118 LYS CA C 58.449 0.000 .
694 118 118 LYS CB C 32.476 0.000 .
695 118 118 LYS N N 117.228 0.000 .
696 119 119 GLU H H 7.526 0.000 .
697 119 119 GLU HA H 4.085 0.000 .
698 119 119 GLU C C 178.673 0.000 .
699 119 119 GLU CA C 58.369 0.000 .
700 119 119 GLU CB C 29.279 0.000 .
701 119 119 GLU N N 118.034 0.000 .
702 120 120 LEU H H 7.744 0.000 .
703 120 120 LEU HA H 4.160 0.000 .
704 120 120 LEU C C 177.725 0.000 .
705 120 120 LEU CA C 56.691 0.000 .
706 120 120 LEU CB C 42.545 0.000 .
707 120 120 LEU N N 118.980 0.000 .
708 121 121 ASP H H 7.719 0.000 .
709 121 121 ASP HA H 4.652 0.000 .
710 121 121 ASP C C 174.722 0.000 .
711 121 121 ASP CA C 53.654 0.000 .
712 121 121 ASP CB C 41.187 0.000 .
713 121 121 ASP N N 118.291 0.000 .
714 122 122 ASP H H 8.396 0.000 .
715 122 122 ASP HA H 4.563 0.000 .
716 122 122 ASP C C 177.332 0.000 .
717 122 122 ASP CA C 55.492 0.000 .
718 122 122 ASP CB C 40.388 0.000 .
719 122 122 ASP N N 122.804 0.000 .
720 123 123 LYS H H 8.232 0.000 .
721 123 123 LYS HA H 4.354 0.000 .
722 123 123 LYS C C 177.296 0.000 .
723 123 123 LYS CA C 55.572 0.000 .
724 123 123 LYS CB C 32.156 0.000 .
725 123 123 LYS N N 118.139 0.000 .
726 124 124 ILE H H 7.286 0.000 .
727 124 124 ILE HA H 4.190 0.000 .
728 124 124 ILE C C 175.902 0.000 .
729 124 124 ILE CA C 62.285 0.000 .
730 124 124 ILE CB C 38.869 0.000 .
731 124 124 ILE N N 122.372 0.000 .
732 125 125 THR H H 8.588 0.000 .
733 125 125 THR HA H 4.622 0.000 .
734 125 125 THR C C 173.524 0.000 .
735 125 125 THR CA C 60.447 0.000 .
736 125 125 THR CB C 68.919 0.000 .
737 125 125 THR N N 120.008 0.000 .
738 126 126 PRO HA H 3.902 0.000 .
739 126 126 PRO C C 178.798 0.000 .
740 126 126 PRO CA C 66.041 0.000 .
741 126 126 PRO CB C 31.836 0.000 .
742 127 127 GLU H H 8.708 0.000 .
743 127 127 GLU HA H 4.105 0.000 .
744 127 127 GLU C C 179.298 0.000 .
745 127 127 GLU CA C 60.127 0.000 .
746 127 127 GLU CB C 28.799 0.000 .
747 127 127 GLU N N 116.107 0.000 .
748 128 128 ASP H H 7.737 0.000 .
749 128 128 ASP HA H 4.467 0.000 .
750 128 128 ASP C C 179.120 0.000 .
751 128 128 ASP CA C 57.170 0.000 .
752 128 128 ASP CB C 39.908 0.000 .
753 128 128 ASP N N 121.776 0.000 .
754 129 129 LEU H H 8.499 0.000 .
755 129 129 LEU C C 178.136 0.000 .
756 129 129 LEU CA C 58.529 0.000 .
757 129 129 LEU CB C 41.906 0.000 .
758 129 129 LEU N N 123.190 0.000 .
759 130 130 ASP H H 8.057 0.000 .
760 130 130 ASP HA H 4.276 0.000 .
761 130 130 ASP C C 179.424 0.000 .
762 130 130 ASP CA C 58.050 0.000 .
763 130 130 ASP CB C 40.228 0.000 .
764 130 130 ASP N N 118.104 0.000 .
765 131 131 MET H H 7.639 0.000 .
766 131 131 MET HA H 4.200 0.000 .
767 131 131 MET C C 178.548 0.000 .
768 131 131 MET CA C 58.449 0.000 .
769 131 131 MET CB C 32.396 0.000 .
770 131 131 MET N N 118.618 0.000 .
771 132 132 MET H H 8.370 0.000 .
772 132 132 MET HA H 4.154 0.000 .
773 132 132 MET C C 178.655 0.000 .
774 132 132 MET CA C 59.248 0.000 .
775 132 132 MET CB C 32.955 0.000 .
776 132 132 MET N N 120.339 0.000 .
777 133 133 ILE H H 8.283 0.000 .
778 133 133 ILE HA H 3.532 0.000 .
779 133 133 ILE C C 177.135 0.000 .
780 133 133 ILE CA C 64.523 0.000 .
781 133 133 ILE CB C 36.392 0.000 .
782 133 133 ILE N N 118.563 0.000 .
783 134 134 GLN H H 7.482 0.000 .
784 134 134 GLN HA H 4.027 0.000 .
785 134 134 GLN C C 177.779 0.000 .
786 134 134 GLN CA C 58.529 0.000 .
787 134 134 GLN CB C 28.480 0.000 .
788 134 134 GLN N N 117.228 0.000 .
789 135 135 GLU H H 7.650 0.000 .
790 135 135 GLU HA H 4.011 0.000 .
791 135 135 GLU C C 178.136 0.000 .
792 135 135 GLU CA C 58.449 0.000 .
793 135 135 GLU CB C 29.758 0.000 .
794 135 135 GLU N N 117.333 0.000 .
795 136 136 ILE H H 8.144 0.000 .
796 136 136 ILE HA H 3.861 0.000 .
797 136 136 ILE C C 177.582 0.000 .
798 136 136 ILE CA C 63.884 0.000 .
799 136 136 ILE CB C 38.629 0.000 .
800 136 136 ILE N N 117.777 0.000 .
801 137 137 ASP H H 8.188 0.000 .
802 137 137 ASP HA H 5.011 0.000 .
803 137 137 ASP C C 178.297 0.000 .
804 137 137 ASP CA C 52.375 0.000 .
805 137 137 ASP CB C 38.629 0.000 .
806 137 137 ASP N N 118.373 0.000 .
807 138 138 SER H H 8.152 0.000 .
808 138 138 SER C C 177.493 0.000 .
809 138 138 SER CA C 60.847 0.000 .
810 138 138 SER CB C 63.324 0.000 .
811 138 138 SER N N 119.763 0.000 .
812 139 139 ASP H H 8.035 0.000 .
813 139 139 ASP HA H 4.742 0.000 .
814 139 139 ASP C C 177.672 0.000 .
815 139 139 ASP CA C 52.695 0.000 .
816 139 139 ASP CB C 39.988 0.000 .
817 139 139 ASP N N 117.532 0.000 .
818 140 140 GLY H H 8.096 0.000 .
819 140 140 GLY HA2 H 3.827 0.000 .
820 140 140 GLY HA3 H 3.827 0.000 .
821 140 140 GLY C C 175.348 0.000 .
822 140 140 GLY CA C 47.101 0.000 .
823 140 140 GLY N N 109.597 0.000 .
824 141 141 SER H H 8.385 0.000 .
825 141 141 SER HA H 4.164 0.000 .
826 141 141 SER C C 176.331 0.000 .
827 141 141 SER CA C 60.447 0.000 .
828 141 141 SER CB C 65.003 0.000 .
829 141 141 SER N N 115.675 0.000 .
830 142 142 GLY H H 10.868 0.002 .
831 142 142 GLY HA2 H 4.224 0.000 .
832 142 142 GLY HA3 H 3.599 0.000 .
833 142 142 GLY C C 173.578 0.000 .
834 142 142 GLY CA C 45.422 0.000 .
835 142 142 GLY N N 116.736 0.000 .
836 143 143 THR H H 7.905 0.000 .
837 143 143 THR HA H 4.764 0.000 .
838 143 143 THR C C 172.362 0.000 .
839 143 143 THR CA C 58.449 0.000 .
840 143 143 THR CB C 72.835 0.000 .
841 143 143 THR N N 110.164 0.000 .
842 144 144 VAL H H 9.852 0.001 .
843 144 144 VAL HA H 5.269 0.000 .
844 144 144 VAL C C 174.740 0.000 .
845 144 144 VAL CA C 60.847 0.000 .
846 144 144 VAL CB C 34.074 0.000 .
847 144 144 VAL N N 126.835 0.000 .
848 145 145 ASP H H 8.286 0.000 .
849 145 145 ASP HA H 5.462 0.000 .
850 145 145 ASP C C 175.777 0.000 .
851 145 145 ASP CA C 51.976 0.000 .
852 145 145 ASP CB C 42.306 0.000 .
853 145 145 ASP N N 126.306 0.000 .
854 146 146 PHE H H 8.556 0.000 .
855 146 146 PHE HA H 5.428 0.000 .
856 146 146 PHE C C 176.436 0.000 .
857 146 146 PHE CA C 62.205 0.000 .
858 146 146 PHE CB C 39.029 0.000 .
859 146 146 PHE N N 119.378 0.000 .
860 147 147 ASP H H 8.003 0.000 .
861 147 147 ASP HA H 4.757 0.000 .
862 147 147 ASP C C 179.233 0.000 .
863 147 147 ASP CA C 57.970 0.000 .
864 147 147 ASP CB C 40.068 0.000 .
865 147 147 ASP N N 117.263 0.000 .
866 148 148 GLU H H 8.283 0.000 .
867 148 148 GLU HA H 4.040 0.000 .
868 148 148 GLU HB2 H 2.414 0.000 .
869 148 148 GLU HB3 H 2.414 0.000 .
870 148 148 GLU C C 179.227 0.000 .
871 148 148 GLU CA C 59.089 0.000 .
872 148 148 GLU CB C 30.078 0.000 .
873 148 148 GLU N N 121.632 0.000 .
874 149 149 PHE H H 8.126 0.000 .
875 149 149 PHE HA H 4.022 0.000 .
876 149 149 PHE C C 176.492 0.000 .
877 149 149 PHE CA C 60.527 0.000 .
878 149 149 PHE CB C 40.068 0.000 .
879 149 149 PHE N N 118.992 0.000 .
880 150 150 MET H H 8.436 0.000 .
881 150 150 MET HA H 3.652 0.000 .
882 150 150 MET C C 177.743 0.000 .
883 150 150 MET CA C 57.810 0.000 .
884 150 150 MET CB C 31.357 0.000 .
885 150 150 MET N N 117.030 0.000 .
886 151 151 GLU H H 7.669 0.001 .
887 151 151 GLU HA H 3.936 0.000 .
888 151 151 GLU C C 178.297 0.000 .
889 151 151 GLU CA C 58.929 0.000 .
890 151 151 GLU CB C 29.119 0.000 .
891 151 151 GLU N N 117.743 0.000 .
892 152 152 VAL H H 7.097 0.000 .
893 152 152 VAL HA H 3.844 0.000 .
894 152 152 VAL C C 176.903 0.000 .
895 152 152 VAL CA C 64.044 0.000 .
896 152 152 VAL CB C 32.396 0.000 .
897 152 152 VAL N N 115.967 0.000 .
898 153 153 MET H H 7.642 0.000 .
899 153 153 MET HA H 4.288 0.000 .
900 153 153 MET C C 177.350 0.000 .
901 153 153 MET CA C 55.732 0.000 .
902 153 153 MET CB C 31.996 0.000 .
903 153 153 MET N N 117.789 0.000 .
904 154 154 ILE H H 7.941 0.000 .
905 154 154 ILE HA H 4.187 0.000 .
906 154 154 ILE HD1 H 0.795 0.000 .
907 154 154 ILE C C 176.537 0.000 .
908 154 154 ILE CA C 61.566 0.000 .
909 154 154 ILE CB C 38.789 0.000 .
910 154 154 ILE N N 117.263 0.000 .
911 155 155 GLY H H 7.876 0.000 .
912 155 155 GLY HA2 H 3.974 0.000 .
913 155 155 GLY HA3 H 3.974 0.000 .
914 155 155 GLY C C 174.618 0.000 .
915 155 155 GLY CA C 45.662 0.000 .
916 155 155 GLY N N 111.048 0.000 .
917 156 156 GLY H H 8.234 0.000 .
918 156 156 GLY HA2 H 3.989 0.000 .
919 156 156 GLY HA3 H 3.989 0.000 .
920 156 156 GLY C C 173.876 0.000 .
921 156 156 GLY CA C 45.342 0.000 .
922 156 156 GLY N N 109.062 0.000 .
923 157 157 ASP H H 8.345 0.000 .
924 157 157 ASP HA H 4.645 0.000 .
925 157 157 ASP C C 175.344 0.000 .
926 157 157 ASP CA C 54.373 0.000 .
927 157 157 ASP CB C 41.267 0.000 .
928 157 157 ASP N N 120.935 0.000 .
929 158 158 GLU H H 7.973 0.000 .
930 158 158 GLU C C 181.212 0.000 .
931 158 158 GLU CA C 58.050 0.000 .
932 158 158 GLU CB C 30.877 0.000 .
933 158 158 GLU N N 125.927 0.000 .
stop_
save_