data_19438
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
tgam
;
_BMRB_accession_number 19438
_BMRB_flat_file_name bmr19438.str
_Entry_type original
_Submission_date 2013-08-19
_Accession_date 2013-08-19
_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 Yang Yinshan . .
2 'Montet de Guillen' Karine . .
3 Roumestand Christian . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 295
"13C chemical shifts" 417
"15N chemical shifts" 136
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2014-09-02 original author .
stop_
_Original_release_date 2014-09-02
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR structure of Tgam'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Yang Yinshan . .
2 'Montet de Guillen' Karine . .
3 Roumestand Christian . .
stop_
_Journal_abbreviation 'Not known'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name Tgam
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Tgam $Tgam
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_Tgam
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Tgam
_Molecular_mass 16758.439
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 148
_Mol_residue_sequence
;
MKYDVVIIPESFHRFDKHNM
EHICPPMVIGDRSYDIAMEI
VNGVDRVIKASFNASVEELE
GEDCDVLYRKYTLEKEGKKG
IVHVKLRKITENCPPVDGNR
CSVLEFERDIECIVKAIEEC
LAKGELNSKLEGKPIPNPLL
GLDSTRTG
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 LYS 3 TYR 4 ASP 5 VAL
6 VAL 7 ILE 8 ILE 9 PRO 10 GLU
11 SER 12 PHE 13 HIS 14 ARG 15 PHE
16 ASP 17 LYS 18 HIS 19 ASN 20 MET
21 GLU 22 HIS 23 ILE 24 CYS 25 PRO
26 PRO 27 MET 28 VAL 29 ILE 30 GLY
31 ASP 32 ARG 33 SER 34 TYR 35 ASP
36 ILE 37 ALA 38 MET 39 GLU 40 ILE
41 VAL 42 ASN 43 GLY 44 VAL 45 ASP
46 ARG 47 VAL 48 ILE 49 LYS 50 ALA
51 SER 52 PHE 53 ASN 54 ALA 55 SER
56 VAL 57 GLU 58 GLU 59 LEU 60 GLU
61 GLY 62 GLU 63 ASP 64 CYS 65 ASP
66 VAL 67 LEU 68 TYR 69 ARG 70 LYS
71 TYR 72 THR 73 LEU 74 GLU 75 LYS
76 GLU 77 GLY 78 LYS 79 LYS 80 GLY
81 ILE 82 VAL 83 HIS 84 VAL 85 LYS
86 LEU 87 ARG 88 LYS 89 ILE 90 THR
91 GLU 92 ASN 93 CYS 94 PRO 95 PRO
96 VAL 97 ASP 98 GLY 99 ASN 100 ARG
101 CYS 102 SER 103 VAL 104 LEU 105 GLU
106 PHE 107 GLU 108 ARG 109 ASP 110 ILE
111 GLU 112 CYS 113 ILE 114 VAL 115 LYS
116 ALA 117 ILE 118 GLU 119 GLU 120 CYS
121 LEU 122 ALA 123 LYS 124 GLY 125 GLU
126 LEU 127 ASN 128 SER 129 LYS 130 LEU
131 GLU 132 GLY 133 LYS 134 PRO 135 ILE
136 PRO 137 ASN 138 PRO 139 LEU 140 LEU
141 GLY 142 LEU 143 ASP 144 SER 145 THR
146 ARG 147 THR 148 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-11-04
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 2MCF "Nmr Structure Of Tgam" 100.00 148 100.00 100.00 1.46e-101
GB ACS34436 "Hypothetical protein TGAM_1934 [Thermococcus gammatolerans EJ3]" 82.43 122 100.00 100.00 2.06e-81
REF WP_015859542 "hypothetical protein [Thermococcus gammatolerans]" 82.43 122 100.00 100.00 2.06e-81
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Tgam human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$Tgam 'recombinant technology' . Escherichia coli . Ecoli
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
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'geometry optimization'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_HNCA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_NMR_spectrometer_expt
_Saveframe_category NMR_applied_experiment
_Experiment_name .
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.2 0.01 M
pH 6.60 0.01 pH
pressure 1 . atm
temperature 305 0.1 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
DSS C 13 'methyl protons' ppm 0.00 na indirect . other . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . other . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . other . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCA'
'3D CBCA(CO)NH'
'3D 1H-15N NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name Tgam
_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 HA H 4.103 0.01 1
2 1 1 MET C C 172.58 0.01 1
3 1 1 MET CA C 55.20 0.01 1
4 1 1 MET CB C 33.86 0.01 1
5 2 2 LYS H H 8.620 0.01 1
6 2 2 LYS HA H 4.81 0.01 1
7 2 2 LYS C C 173.64 0.01 1
8 2 2 LYS CA C 53.96 0.01 1
9 2 2 LYS CB C 34.85 0.01 1
10 2 2 LYS N N 124.74 0.01 1
11 3 3 TYR H H 8.927 0.01 1
12 3 3 TYR HA H 5.252 0.01 1
13 3 3 TYR C C 174.92 0.01 1
14 3 3 TYR CA C 57.36 0.01 1
15 3 3 TYR CB C 43.17 0.01 1
16 3 3 TYR N N 114.84 0.01 1
17 4 4 ASP H H 9.170 0.01 1
18 4 4 ASP HA H 5.479 0.01 1
19 4 4 ASP C C 175.78 0.01 1
20 4 4 ASP CA C 52.90 0.01 1
21 4 4 ASP CB C 43.97 0.01 1
22 4 4 ASP N N 119.79 0.01 1
23 5 5 VAL H H 8.733 0.01 1
24 5 5 VAL HA H 4.722 0.01 1
25 5 5 VAL C C 174.52 0.01 1
26 5 5 VAL CA C 62.10 0.01 1
27 5 5 VAL CB C 31.72 0.01 1
28 5 5 VAL N N 122.03 0.01 1
29 6 6 VAL H H 9.338 0.01 1
30 6 6 VAL HA H 4.646 0.01 1
31 6 6 VAL C C 174.33 0.01 1
32 6 6 VAL CA C 61.75 0.01 1
33 6 6 VAL CB C 34.06 0.01 1
34 6 6 VAL N N 128.38 0.01 1
35 7 7 ILE H H 9.295 0.01 1
36 7 7 ILE HA H 5.160 0.01 1
37 7 7 ILE C C 175.26 0.01 1
38 7 7 ILE CA C 60.21 0.01 1
39 7 7 ILE CB C 40.10 0.01 1
40 7 7 ILE N N 127.54 0.01 1
41 8 8 ILE H H 9.573 0.01 1
42 8 8 ILE HA H 4.762 0.01 1
43 8 8 ILE CA C 58.79 0.01 1
44 8 8 ILE CB C 41.10 0.01 1
45 8 8 ILE N N 126.5 0.01 1
46 9 9 PRO HA H 5.325 0.01 1
47 9 9 PRO C C 174.39 0.01 1
48 9 9 PRO CA C 61.07 0.01 1
49 9 9 PRO CB C 31.6 0.01 1
50 10 10 GLU H H 9.218 0.01 1
51 10 10 GLU HA H 4.773 0.01 1
52 10 10 GLU C C 174.95 0.01 1
53 10 10 GLU CA C 55.6 0.01 1
54 10 10 GLU CB C 33.98 0.01 1
55 10 10 GLU N N 120.48 0.01 1
56 11 11 SER H H 8.595 0.01 1
57 11 11 SER HA H 4.686 0.01 1
58 11 11 SER C C 174.46 0.01 1
59 11 11 SER CA C 57.49 0.01 1
60 11 11 SER CB C 64.82 0.01 1
61 11 11 SER N N 117.47 0.01 1
62 12 12 PHE H H 8.298 0.01 1
63 12 12 PHE HA H 4.671 0.01 1
64 12 12 PHE C C 175.44 0.01 1
65 12 12 PHE CA C 58.58 0.01 1
66 12 12 PHE CB C 39.94 0.01 1
67 12 12 PHE N N 122.76 0.01 1
68 13 13 HIS H H 8.243 0.01 1
69 13 13 HIS HA H 4.615 0.01 1
70 13 13 HIS C C 174.53 0.01 1
71 13 13 HIS CA C 55.61 0.01 1
72 13 13 HIS CB C 31.00 0.01 1
73 13 13 HIS N N 120.60 0.01 1
74 14 14 ARG H H 8.320 0.01 1
75 14 14 ARG HA H 4.219 0.01 1
76 14 14 ARG C C 176.07 0.01 1
77 14 14 ARG CA C 56.58 0.01 1
78 14 14 ARG CB C 30.79 0.01 1
79 14 14 ARG N N 122.29 0.01 1
80 15 15 PHE H H 8.409 0.01 1
81 15 15 PHE HA H 4.696 0.01 1
82 15 15 PHE C C 175.55 0.01 1
83 15 15 PHE CA C 57.63 0.01 1
84 15 15 PHE CB C 39.92 0.01 1
85 15 15 PHE N N 120.22 0.01 1
86 16 16 ASP H H 8.397 0.01 1
87 16 16 ASP HA H 4.551 0.01 1
88 16 16 ASP C C 176.59 0.01 1
89 16 16 ASP CA C 54.18 0.01 1
90 16 16 ASP CB C 41.41 0.01 1
91 16 16 ASP N N 121.37 0.01 1
92 17 17 LYS H H 8.188 0.01 1
93 17 17 LYS HA H 4.167 0.01 1
94 17 17 LYS C C 176.55 0.01 1
95 17 17 LYS CA C 57.11 0.01 1
96 17 17 LYS CB C 32.42 0.01 1
97 17 17 LYS N N 119.88 0.01 1
98 18 18 HIS H H 8.339 0.01 1
99 18 18 HIS HA H 4.650 0.01 1
100 18 18 HIS C C 175.02 0.01 1
101 18 18 HIS CA C 56.26 0.01 1
102 18 18 HIS CB C 30.01 0.01 1
103 18 18 HIS N N 118.39 0.01 1
104 19 19 ASN H H 8.287 0.01 1
105 19 19 ASN HA H 4.672 0.01 1
106 19 19 ASN C C 175.17 0.01 1
107 19 19 ASN CA C 53.80 0.01 1
108 19 19 ASN CB C 38.73 0.01 1
109 19 19 ASN N N 118.70 0.01 1
110 20 20 MET H H 8.495 0.01 1
111 20 20 MET HA H 4.475 0.01 1
112 20 20 MET C C 176.47 0.01 1
113 20 20 MET CA C 55.64 0.01 1
114 20 20 MET CB C 33.50 0.01 1
115 20 20 MET N N 120.14 0.01 1
116 21 21 GLU H H 8.450 0.01 1
117 21 21 GLU HA H 4.201 0.01 1
118 21 21 GLU C C 176.38 0.01 1
119 21 21 GLU CA C 57.33 0.01 1
120 21 21 GLU CB C 30.08 0.01 1
121 21 21 GLU N N 120.92 0.01 1
122 22 22 HIS H H 8.334 0.01 1
123 22 22 HIS HA H 4.687 0.01 1
124 22 22 HIS C C 174.47 0.01 1
125 22 22 HIS CA C 55.98 0.01 1
126 22 22 HIS CB C 30.53 0.01 1
127 22 22 HIS N N 119.65 0.01 1
128 23 23 ILE H H 7.782 0.01 1
129 23 23 ILE HA H 4.151 0.01 1
130 23 23 ILE C C 175.87 0.01 1
131 23 23 ILE CA C 61.17 0.01 1
132 23 23 ILE CB C 38.85 0.01 1
133 23 23 ILE N N 121.91 0.01 1
134 24 24 CYS H H 8.697 0.01 1
135 24 24 CYS HA H 4.794 0.01 1
136 24 24 CYS CA C 53.13 0.01 1
137 24 24 CYS CB C 42.47 0.01 1
138 24 24 CYS N N 124.92 0.01 1
139 25 25 PRO HA H 4.730 0.01 1
140 26 26 PRO HA H 4.754 0.01 1
141 26 26 PRO C C 175.82 0.01 1
142 26 26 PRO CA C 62.58 0.01 1
143 26 26 PRO CB C 32.59 0.01 1
144 27 27 MET H H 9.055 0.01 1
145 27 27 MET HA H 5.180 0.01 1
146 27 27 MET C C 174.81 0.01 1
147 27 27 MET CA C 53.27 0.01 1
148 27 27 MET CB C 34.58 0.01 1
149 27 27 MET N N 120.58 0.01 1
150 28 28 VAL H H 8.575 0.01 1
151 28 28 VAL HA H 5.093 0.01 1
152 28 28 VAL C C 175.71 0.01 1
153 28 28 VAL CA C 60.65 0.01 1
154 28 28 VAL CB C 35.47 0.01 1
155 28 28 VAL N N 122.03 0.01 1
156 29 29 ILE H H 9.200 0.01 1
157 29 29 ILE HA H 4.366 0.01 1
158 29 29 ILE C C 176.49 0.01 1
159 29 29 ILE CA C 61.26 0.01 1
160 29 29 ILE CB C 37.96 0.01 1
161 29 29 ILE N N 129.44 0.01 1
162 30 30 GLY H H 8.525 0.01 1
163 30 30 GLY HA2 H 3.687 0.01 2
164 30 30 GLY HA3 H 4.932 0.01 2
165 30 30 GLY C C 175.35 0.01 1
166 30 30 GLY CA C 46.11 0.01 1
167 30 30 GLY N N 112.58 0.01 1
168 31 31 ASP H H 9.133 0.01 1
169 31 31 ASP HA H 4.103 0.01 1
170 31 31 ASP C C 175.53 0.01 1
171 31 31 ASP CA C 55.53 0.01 1
172 31 31 ASP CB C 39.62 0.01 1
173 31 31 ASP N N 121.32 0.01 1
174 32 32 ARG H H 9.529 0.01 1
175 32 32 ARG HA H 5.031 0.01 1
176 32 32 ARG C C 177.06 0.01 1
177 32 32 ARG CA C 52.79 0.01 1
178 32 32 ARG CB C 34.65 0.01 1
179 32 32 ARG N N 117.60 0.01 1
180 33 33 SER H H 8.400 0.01 1
181 33 33 SER HA H 4.819 0.01 1
182 33 33 SER C C 174.29 0.01 1
183 33 33 SER CA C 58.13 0.01 1
184 33 33 SER CB C 64.53 0.01 1
185 33 33 SER N N 116.15 0.01 1
186 34 34 TYR H H 9.456 0.01 1
187 34 34 TYR HA H 3.385 0.01 1
188 34 34 TYR C C 176.28 0.01 1
189 34 34 TYR CA C 63.06 0.01 1
190 34 34 TYR CB C 38.35 0.01 1
191 34 34 TYR N N 122.11 0.01 1
192 35 35 ASP H H 8.611 0.01 1
193 35 35 ASP HA H 4.066 0.01 1
194 35 35 ASP C C 179.46 0.01 1
195 35 35 ASP CA C 57.38 0.01 1
196 35 35 ASP CB C 39.84 0.01 1
197 35 35 ASP N N 114.64 0.01 1
198 36 36 ILE H H 7.298 0.01 1
199 36 36 ILE HA H 3.848 0.01 1
200 36 36 ILE C C 178.00 0.01 1
201 36 36 ILE CA C 62.66 0.01 1
202 36 36 ILE CB C 36.70 0.01 1
203 36 36 ILE N N 120.86 0.01 1
204 37 37 ALA H H 8.906 0.01 1
205 37 37 ALA HA H 3.732 0.01 1
206 37 37 ALA C C 179.72 0.01 1
207 37 37 ALA CA C 55.72 0.01 1
208 37 37 ALA CB C 17.98 0.01 1
209 37 37 ALA N N 123.26 0.01 1
210 38 38 MET H H 8.237 0.01 1
211 38 38 MET HA H 4.282 0.01 1
212 38 38 MET C C 178.94 0.01 1
213 38 38 MET CA C 55.94 0.01 1
214 38 38 MET CB C 29.57 0.01 1
215 38 38 MET N N 114.90 0.01 1
216 39 39 GLU H H 7.517 0.01 1
217 39 39 GLU HA H 4.101 0.01 1
218 39 39 GLU C C 180.88 0.01 1
219 39 39 GLU CA C 59.63 0.01 1
220 39 39 GLU CB C 29.05 0.01 1
221 39 39 GLU N N 120.02 0.01 1
222 40 40 ILE H H 8.220 0.01 1
223 40 40 ILE HA H 3.710 0.01 1
224 40 40 ILE C C 177.89 0.01 1
225 40 40 ILE CA C 65.24 0.01 1
226 40 40 ILE CB C 36.90 0.01 1
227 40 40 ILE N N 122.00 0.01 1
228 41 41 VAL H H 8.737 0.01 1
229 41 41 VAL HA H 3.386 0.01 1
230 41 41 VAL C C 179.09 0.01 1
231 41 41 VAL CA C 67.86 0.01 1
232 41 41 VAL CB C 31.33 0.01 1
233 41 41 VAL N N 120.76 0.01 1
234 42 42 ASN H H 8.542 0.01 1
235 42 42 ASN HA H 4.607 0.01 1
236 42 42 ASN C C 178.08 0.01 1
237 42 42 ASN CA C 55.88 0.01 1
238 42 42 ASN CB C 37.49 0.01 1
239 42 42 ASN N N 119.95 0.01 1
240 43 43 GLY H H 8.387 0.01 1
241 43 43 GLY HA2 H 3.674 0.01 2
242 43 43 GLY HA3 H 3.899 0.01 2
243 43 43 GLY C C 176.07 0.01 1
244 43 43 GLY CA C 47.59 0.01 1
245 43 43 GLY N N 112.07 0.01 1
246 44 44 VAL H H 9.078 0.01 1
247 44 44 VAL HA H 3.527 0.01 1
248 44 44 VAL C C 176.70 0.01 1
249 44 44 VAL CA C 66.84 0.01 1
250 44 44 VAL CB C 31.25 0.01 1
251 44 44 VAL N N 122.90 0.01 1
252 45 45 ASP H H 7.745 0.01 1
253 45 45 ASP HA H 4.192 0.01 1
254 45 45 ASP C C 176.54 0.01 1
255 45 45 ASP CA C 58.49 0.01 1
256 45 45 ASP CB C 42.94 0.01 1
257 45 45 ASP N N 119.07 0.01 1
258 46 46 ARG H H 7.557 0.01 1
259 46 46 ARG HA H 3.994 0.01 1
260 46 46 ARG C C 179.76 0.01 1
261 46 46 ARG CA C 59.63 0.01 1
262 46 46 ARG CB C 30.19 0.01 1
263 46 46 ARG N N 115.75 0.01 1
264 47 47 VAL H H 8.187 0.01 1
265 47 47 VAL HA H 3.912 0.01 1
266 47 47 VAL C C 179.15 0.01 1
267 47 47 VAL CA C 66.04 0.01 1
268 47 47 VAL CB C 31.77 0.01 1
269 47 47 VAL N N 118.74 0.01 1
270 48 48 ILE H H 8.786 0.01 1
271 48 48 ILE HA H 3.697 0.01 1
272 48 48 ILE C C 178.13 0.01 1
273 48 48 ILE CA C 66.64 0.01 1
274 48 48 ILE CB C 36.63 0.01 1
275 48 48 ILE N N 122.34 0.01 1
276 49 49 LYS H H 7.785 0.01 1
277 49 49 LYS HA H 4.059 0.01 1
278 49 49 LYS C C 178.12 0.01 1
279 49 49 LYS CA C 60.27 0.01 1
280 49 49 LYS CB C 33.10 0.01 1
281 49 49 LYS N N 116.86 0.01 1
282 50 50 ALA H H 7.740 0.01 1
283 50 50 ALA HA H 4.356 0.01 1
284 50 50 ALA C C 179.94 0.01 1
285 50 50 ALA CA C 53.96 0.01 1
286 50 50 ALA CB C 19.36 0.01 1
287 50 50 ALA N N 117.52 0.01 1
288 51 51 SER H H 7.957 0.01 1
289 51 51 SER HA H 4.287 0.01 1
290 51 51 SER C C 172.84 0.01 1
291 51 51 SER CA C 60.61 0.01 1
292 51 51 SER CB C 64.50 0.01 1
293 51 51 SER N N 111.86 0.01 1
294 52 52 PHE H H 7.901 0.01 1
295 52 52 PHE HA H 4.777 0.01 1
296 52 52 PHE C C 174.21 0.01 1
297 52 52 PHE CA C 56.29 0.01 1
298 52 52 PHE CB C 42.58 0.01 1
299 52 52 PHE N N 116.21 0.01 1
300 53 53 ASN H H 8.205 0.01 1
301 53 53 ASN HA H 4.902 0.01 1
302 53 53 ASN C C 175.12 0.01 1
303 53 53 ASN CA C 53.95 0.01 1
304 53 53 ASN CB C 37.55 0.01 1
305 53 53 ASN N N 117.89 0.01 1
306 54 54 ALA H H 8.246 0.01 1
307 54 54 ALA HA H 5.441 0.01 1
308 54 54 ALA C C 176.80 0.01 1
309 54 54 ALA CA C 51.56 0.01 1
310 54 54 ALA CB C 24.08 0.01 1
311 54 54 ALA N N 125.30 0.01 1
312 55 55 SER H H 8.606 0.01 1
313 55 55 SER HA H 4.789 0.01 1
314 55 55 SER C C 172.83 0.01 1
315 55 55 SER CA C 57.20 0.01 1
316 55 55 SER CB C 65.46 0.01 1
317 55 55 SER N N 115.85 0.01 1
318 56 56 VAL H H 8.648 0.01 1
319 56 56 VAL HA H 4.794 0.01 1
320 56 56 VAL C C 173.16 0.01 1
321 56 56 VAL CA C 60.01 0.01 1
322 56 56 VAL CB C 35.57 0.01 1
323 56 56 VAL N N 121.70 0.01 1
324 57 57 GLU H H 8.122 0.01 1
325 57 57 GLU HA H 4.512 0.01 1
326 57 57 GLU C C 174.09 0.01 1
327 57 57 GLU CA C 54.55 0.01 1
328 57 57 GLU CB C 33.91 0.01 1
329 57 57 GLU N N 126.13 0.01 1
330 58 58 GLU H H 8.610 0.01 1
331 58 58 GLU HA H 4.687 0.01 1
332 58 58 GLU C C 175.41 0.01 1
333 58 58 GLU CA C 55.99 0.01 1
334 58 58 GLU CB C 30.33 0.01 1
335 58 58 GLU N N 124.74 0.01 1
336 59 59 LEU H H 8.259 0.01 1
337 59 59 LEU HA H 4.711 0.01 1
338 59 59 LEU C C 175.97 0.01 1
339 59 59 LEU CA C 53.78 0.01 1
340 59 59 LEU CB C 45.32 0.01 1
341 59 59 LEU N N 126.78 0.01 1
342 60 60 GLU H H 8.258 0.01 1
343 60 60 GLU HA H 4.348 0.01 1
344 60 60 GLU C C 177.56 0.01 1
345 60 60 GLU CA C 57.34 0.01 1
346 60 60 GLU CB C 30.26 0.01 1
347 60 60 GLU N N 119.81 0.01 1
348 61 61 GLY H H 8.726 0.01 1
349 61 61 GLY HA2 H 3.916 0.01 2
350 61 61 GLY HA3 H 4.353 0.01 2
351 61 61 GLY C C 174.32 0.01 1
352 61 61 GLY CA C 44.57 0.01 1
353 61 61 GLY N N 117.72 0.01 1
354 62 62 GLU H H 9.337 0.01 1
355 62 62 GLU HA H 4.531 0.01 1
356 62 62 GLU C C 177.69 0.01 1
357 62 62 GLU CA C 55.55 0.01 1
358 62 62 GLU CB C 31.30 0.01 1
359 62 62 GLU N N 121.70 0.01 1
360 63 63 ASP H H 8.632 0.01 1
361 63 63 ASP HA H 4.330 0.01 1
362 63 63 ASP C C 178.08 0.01 1
363 63 63 ASP CA C 57.93 0.01 1
364 63 63 ASP CB C 40.77 0.01 1
365 63 63 ASP N N 120.76 0.01 1
366 64 64 CYS H H 7.962 0.01 1
367 64 64 CYS HA H 4.432 0.01 1
368 64 64 CYS C C 173.70 0.01 1
369 64 64 CYS CA C 57.17 0.01 1
370 64 64 CYS CB C 41.21 0.01 1
371 64 64 CYS N N 113.52 0.01 1
372 65 65 ASP H H 7.936 0.01 1
373 65 65 ASP HA H 5.190 0.01 1
374 65 65 ASP C C 176.54 0.01 1
375 65 65 ASP CA C 54.31 0.01 1
376 65 65 ASP CB C 41.15 0.01 1
377 65 65 ASP N N 120.20 0.01 1
378 66 66 VAL H H 9.431 0.01 1
379 66 66 VAL HA H 4.267 0.01 1
380 66 66 VAL C C 176.00 0.01 1
381 66 66 VAL CA C 63.19 0.01 1
382 66 66 VAL CB C 32.43 0.01 1
383 66 66 VAL N N 122.07 0.01 1
384 67 67 LEU H H 7.625 0.01 1
385 67 67 LEU HA H 4.639 0.01 1
386 67 67 LEU C C 174.40 0.01 1
387 67 67 LEU CA C 55.10 0.01 1
388 67 67 LEU CB C 46.02 0.01 1
389 67 67 LEU N N 119.70 0.01 1
390 68 68 TYR H H 9.086 0.01 1
391 68 68 TYR HA H 5.850 0.01 1
392 68 68 TYR C C 173.46 0.01 1
393 68 68 TYR CA C 54.66 0.01 1
394 68 68 TYR CB C 38.14 0.01 1
395 68 68 TYR N N 126.33 0.01 1
396 69 69 ARG H H 9.569 0.01 1
397 69 69 ARG HA H 4.860 0.01 1
398 69 69 ARG C C 173.03 0.01 1
399 69 69 ARG CA C 54.43 0.01 1
400 69 69 ARG CB C 35.03 0.01 1
401 69 69 ARG N N 127.44 0.01 1
402 70 70 LYS H H 8.612 0.01 1
403 70 70 LYS HA H 5.005 0.01 1
404 70 70 LYS C C 175.83 0.01 1
405 70 70 LYS CA C 54.69 0.01 1
406 70 70 LYS CB C 36.04 0.01 1
407 70 70 LYS N N 122.85 0.01 1
408 71 71 TYR H H 9.762 0.01 1
409 71 71 TYR HA H 5.302 0.01 1
410 71 71 TYR C C 175.71 0.01 1
411 71 71 TYR CA C 56.96 0.01 1
412 71 71 TYR CB C 40.33 0.01 1
413 71 71 TYR N N 129.42 0.01 1
414 72 72 THR H H 8.845 0.01 1
415 72 72 THR HA H 4.707 0.01 1
416 72 72 THR C C 173.86 0.01 1
417 72 72 THR CA C 63.25 0.01 1
418 72 72 THR CB C 69.37 0.01 1
419 72 72 THR N N 119.82 0.01 1
420 73 73 LEU H H 8.929 0.01 1
421 73 73 LEU HA H 5.129 0.01 1
422 73 73 LEU C C 175.76 0.01 1
423 73 73 LEU CA C 54.08 0.01 1
424 73 73 LEU CB C 45.35 0.01 1
425 73 73 LEU N N 125.42 0.01 1
426 74 74 GLU H H 8.311 0.01 1
427 74 74 GLU HA H 5.214 0.01 1
428 74 74 GLU C C 175.40 0.01 1
429 74 74 GLU CA C 55.74 0.01 1
430 74 74 GLU CB C 33.04 0.01 1
431 74 74 GLU N N 120.09 0.01 1
432 75 75 LYS H H 8.691 0.01 1
433 75 75 LYS HA H 4.473 0.01 1
434 75 75 LYS C C 175.38 0.01 1
435 75 75 LYS CA C 57.06 0.01 1
436 75 75 LYS CB C 35.74 0.01 1
437 75 75 LYS N N 124.23 0.01 1
438 76 76 GLU H H 9.556 0.01 1
439 76 76 GLU HA H 3.903 0.01 1
440 76 76 GLU C C 176.19 0.01 1
441 76 76 GLU CA C 57.45 0.01 1
442 76 76 GLU CB C 27.83 0.01 1
443 76 76 GLU N N 127.76 0.01 1
444 77 77 GLY H H 8.928 0.01 1
445 77 77 GLY HA2 H 3.681 0.01 2
446 77 77 GLY HA3 H 4.232 0.01 2
447 77 77 GLY C C 174.32 0.01 1
448 77 77 GLY CA C 45.64 0.01 1
449 77 77 GLY N N 106.56 0.01 1
450 78 78 LYS H H 8.015 0.01 1
451 78 78 LYS HA H 4.585 0.01 1
452 78 78 LYS C C 175.24 0.01 1
453 78 78 LYS CA C 55.38 0.01 1
454 78 78 LYS CB C 33.49 0.01 1
455 78 78 LYS N N 121.60 0.01 1
456 79 79 LYS H H 8.438 0.01 1
457 79 79 LYS HA H 5.199 0.01 1
458 79 79 LYS C C 176.15 0.01 1
459 79 79 LYS CA C 55.07 0.01 1
460 79 79 LYS CB C 35.08 0.01 1
461 79 79 LYS N N 120.99 0.01 1
462 80 80 GLY H H 8.391 0.01 1
463 80 80 GLY HA2 H 3.883 0.01 2
464 80 80 GLY HA3 H 4.236 0.01 2
465 80 80 GLY C C 170.43 0.01 1
466 80 80 GLY CA C 45.26 0.01 1
467 80 80 GLY N N 107.84 0.01 1
468 81 81 ILE H H 8.623 0.01 1
469 81 81 ILE HA H 5.282 0.01 1
470 81 81 ILE C C 175.21 0.01 1
471 81 81 ILE CA C 58.64 0.01 1
472 81 81 ILE CB C 42.42 0.01 1
473 81 81 ILE N N 120.67 0.01 1
474 82 82 VAL H H 8.967 0.01 1
475 82 82 VAL HA H 4.714 0.01 1
476 82 82 VAL C C 174.23 0.01 1
477 82 82 VAL CA C 61.01 0.01 1
478 82 82 VAL CB C 35.26 0.01 1
479 82 82 VAL N N 121.97 0.01 1
480 83 83 HIS H H 8.960 0.01 1
481 83 83 HIS HA H 5.219 0.01 1
482 83 83 HIS C C 174.96 0.01 1
483 83 83 HIS CA C 55.44 0.01 1
484 83 83 HIS CB C 32.24 0.01 1
485 83 83 HIS N N 129.69 0.01 1
486 84 84 VAL H H 9.834 0.01 1
487 84 84 VAL HA H 5.126 0.01 1
488 84 84 VAL C C 174.59 0.01 1
489 84 84 VAL CA C 62.23 0.01 1
490 84 84 VAL CB C 34.02 0.01 1
491 84 84 VAL N N 125.62 0.01 1
492 85 85 LYS H H 9.517 0.01 1
493 85 85 LYS HA H 5.464 0.01 1
494 85 85 LYS C C 174.89 0.01 1
495 85 85 LYS CA C 54.21 0.01 1
496 85 85 LYS CB C 36.43 0.01 1
497 85 85 LYS N N 125.37 0.01 1
498 86 86 LEU H H 8.400 0.01 1
499 86 86 LEU HA H 5.147 0.01 1
500 86 86 LEU C C 174.76 0.01 1
501 86 86 LEU CA C 54.21 0.01 1
502 86 86 LEU CB C 44.83 0.01 1
503 86 86 LEU N N 123.83 0.01 1
504 87 87 ARG H H 9.647 0.01 1
505 87 87 ARG HA H 5.473 0.01 1
506 87 87 ARG C C 176.13 0.01 1
507 87 87 ARG CA C 54.97 0.01 1
508 87 87 ARG CB C 34.23 0.01 1
509 87 87 ARG N N 128.61 0.01 1
510 88 88 LYS H H 8.510 0.01 1
511 88 88 LYS HA H 4.138 0.01 1
512 88 88 LYS C C 174.89 0.01 1
513 88 88 LYS CA C 56.33 0.01 1
514 88 88 LYS CB C 34.31 0.01 1
515 88 88 LYS N N 122.81 0.01 1
516 89 89 ILE H H 7.470 0.01 1
517 89 89 ILE HA H 4.631 0.01 1
518 89 89 ILE C C 176.40 0.01 1
519 89 89 ILE CA C 60.67 0.01 1
520 89 89 ILE CB C 36.72 0.01 1
521 89 89 ILE N N 120.88 0.01 1
522 90 90 THR H H 7.701 0.01 1
523 90 90 THR HA H 4.700 0.01 1
524 90 90 THR CA C 59.10 0.01 1
525 90 90 THR CB C 72.60 0.01 1
526 90 90 THR N N 116.61 0.01 1
527 91 91 GLU HA H 4.030 0.01 1
528 91 91 GLU C C 177.10 0.01 1
529 91 91 GLU CA C 59.64 0.01 1
530 91 91 GLU CB C 29.05 0.01 1
531 92 92 ASN H H 7.915 0.01 1
532 92 92 ASN HA H 4.700 0.01 1
533 92 92 ASN C C 174.10 0.01 1
534 92 92 ASN CA C 53.49 0.01 1
535 92 92 ASN CB C 39.27 0.01 1
536 92 92 ASN N N 113.65 0.01 1
537 93 93 CYS H H 7.514 0.01 1
538 93 93 CYS HA H 5.076 0.01 1
539 93 93 CYS CA C 52.61 0.01 1
540 93 93 CYS CB C 42.09 0.01 1
541 93 93 CYS N N 120.19 0.01 1
542 94 94 PRO HA H 4.790 0.01 1
543 95 95 PRO HA H 4.500 0.01 1
544 95 95 PRO C C 177.77 0.01 1
545 95 95 PRO CA C 62.74 0.01 1
546 95 95 PRO CB C 32.10 0.01 1
547 96 96 VAL H H 9.071 0.01 1
548 96 96 VAL HA H 3.947 0.01 1
549 96 96 VAL C C 175.78 0.01 1
550 96 96 VAL CA C 62.10 0.01 1
551 96 96 VAL CB C 32.58 0.01 1
552 96 96 VAL N N 123.60 0.01 1
553 97 97 ASP H H 8.313 0.01 1
554 97 97 ASP HA H 4.670 0.01 1
555 97 97 ASP C C 175.41 0.01 1
556 97 97 ASP CA C 54.01 0.01 1
557 97 97 ASP CB C 41.58 0.01 1
558 97 97 ASP N N 125.40 0.01 1
559 98 98 GLY H H 7.838 0.01 1
560 98 98 GLY HA2 H 3.783 0.01 2
561 98 98 GLY HA3 H 4.042 0.01 2
562 98 98 GLY C C 173.14 0.01 1
563 98 98 GLY CA C 45.27 0.01 1
564 98 98 GLY N N 108.31 0.01 1
565 99 99 ASN H H 8.685 0.01 1
566 99 99 ASN HA H 5.182 0.01 1
567 99 99 ASN C C 174.70 0.01 1
568 99 99 ASN CA C 53.12 0.01 1
569 99 99 ASN CB C 39.36 0.01 1
570 99 99 ASN N N 120.05 0.01 1
571 100 100 ARG H H 8.502 0.01 1
572 100 100 ARG HA H 4.909 0.01 1
573 100 100 ARG C C 176.93 0.01 1
574 100 100 ARG CA C 55.81 0.01 1
575 100 100 ARG CB C 31.71 0.01 1
576 100 100 ARG N N 121.10 0.01 1
577 101 101 CYS H H 8.607 0.01 1
578 101 101 CYS HA H 4.706 0.01 1
579 101 101 CYS CA C 55.27 0.01 1
580 101 101 CYS N N 121.18 0.01 1
581 102 102 SER HA H 4.565 0.01 1
582 102 102 SER C C 174.22 0.01 1
583 102 102 SER CA C 57.90 0.01 1
584 102 102 SER CB C 63.70 0.01 1
585 103 103 VAL H H 8.332 0.01 1
586 103 103 VAL HA H 4.222 0.01 1
587 103 103 VAL C C 175.07 0.01 1
588 103 103 VAL CA C 62.44 0.01 1
589 103 103 VAL N N 122.91 0.01 1
590 104 104 LEU H H 8.831 0.01 1
591 104 104 LEU HA H 4.413 0.01 1
592 104 104 LEU C C 177.22 0.01 1
593 104 104 LEU CA C 55.93 0.01 1
594 104 104 LEU CB C 42.89 0.01 1
595 104 104 LEU N N 125.94 0.01 1
596 105 105 GLU H H 8.070 0.01 1
597 105 105 GLU HA H 4.411 0.01 1
598 105 105 GLU C C 175.40 0.01 1
599 105 105 GLU CA C 55.89 0.01 1
600 105 105 GLU CB C 30.46 0.01 1
601 105 105 GLU N N 120.54 0.01 1
602 106 106 PHE H H 8.666 0.01 1
603 106 106 PHE HA H 4.061 0.01 1
604 106 106 PHE C C 175.88 0.01 1
605 106 106 PHE CA C 62.12 0.01 1
606 106 106 PHE CB C 39.67 0.01 1
607 106 106 PHE N N 124.06 0.01 1
608 107 107 GLU H H 8.932 0.01 1
609 107 107 GLU HA H 3.886 0.01 1
610 107 107 GLU C C 178.05 0.01 1
611 107 107 GLU CA C 59.36 0.01 1
612 107 107 GLU CB C 29.33 0.01 1
613 107 107 GLU N N 117.29 0.01 1
614 108 108 ARG H H 7.533 0.01 1
615 108 108 ARG HA H 4.308 0.01 1
616 108 108 ARG C C 177.93 0.01 1
617 108 108 ARG CA C 57.12 0.01 1
618 108 108 ARG CB C 31.11 0.01 1
619 108 108 ARG N N 117.24 0.01 1
620 109 109 ASP H H 8.295 0.01 1
621 109 109 ASP HA H 4.600 0.01 1
622 109 109 ASP C C 177.98 0.01 1
623 109 109 ASP CA C 56.81 0.01 1
624 109 109 ASP CB C 41.50 0.01 1
625 109 109 ASP N N 120.04 0.01 1
626 110 110 ILE H H 8.081 0.01 1
627 110 110 ILE HA H 3.794 0.01 1
628 110 110 ILE C C 176.74 0.01 1
629 110 110 ILE CA C 61.85 0.01 1
630 110 110 ILE CB C 37.03 0.01 1
631 110 110 ILE N N 118.71 0.01 1
632 111 111 GLU H H 7.558 0.01 1
633 111 111 GLU HA H 3.962 0.01 1
634 111 111 GLU C C 177.40 0.01 1
635 111 111 GLU CA C 59.60 0.01 1
636 111 111 GLU CB C 29.30 0.01 1
637 111 111 GLU N N 121.14 0.01 1
638 112 112 CYS H H 7.739 0.01 1
639 112 112 CYS HA H 4.103 0.01 1
640 112 112 CYS C C 176.57 0.01 1
641 112 112 CYS CA C 59.29 0.01 1
642 112 112 CYS CB C 41.91 0.01 1
643 112 112 CYS N N 117.38 0.01 1
644 113 113 ILE H H 7.682 0.01 1
645 113 113 ILE HA H 3.833 0.01 1
646 113 113 ILE C C 177.22 0.01 1
647 113 113 ILE CA C 63.41 0.01 1
648 113 113 ILE CB C 37.43 0.01 1
649 113 113 ILE N N 118.52 0.01 1
650 114 114 VAL H H 7.765 0.01 1
651 114 114 VAL HA H 3.468 0.01 1
652 114 114 VAL C C 177.97 0.01 1
653 114 114 VAL CA C 67.96 0.01 1
654 114 114 VAL CB C 31.73 0.01 1
655 114 114 VAL N N 120.39 0.01 1
656 115 115 LYS H H 8.314 0.01 1
657 115 115 LYS HA H 4.129 0.01 1
658 115 115 LYS C C 178.87 0.01 1
659 115 115 LYS CA C 59.30 0.01 1
660 115 115 LYS CB C 31.91 0.01 1
661 115 115 LYS N N 118.84 0.01 1
662 116 116 ALA H H 7.427 0.01 1
663 116 116 ALA HA H 4.226 0.01 1
664 116 116 ALA C C 181.60 0.01 1
665 116 116 ALA CA C 55.32 0.01 1
666 116 116 ALA CB C 18.65 0.01 1
667 116 116 ALA N N 121.00 0.01 1
668 117 117 ILE H H 8.121 0.01 1
669 117 117 ILE HA H 3.313 0.01 1
670 117 117 ILE C C 177.63 0.01 1
671 117 117 ILE CA C 66.51 0.01 1
672 117 117 ILE CB C 37.86 0.01 1
673 117 117 ILE N N 120.09 0.01 1
674 118 118 GLU H H 8.657 0.01 1
675 118 118 GLU HA H 3.886 0.01 1
676 118 118 GLU C C 179.85 0.01 1
677 118 118 GLU CA C 60.76 0.01 1
678 118 118 GLU CB C 29.65 0.01 1
679 118 118 GLU N N 119.30 0.01 1
680 119 119 GLU H H 8.596 0.01 1
681 119 119 GLU HA H 4.068 0.01 1
682 119 119 GLU C C 178.67 0.01 1
683 119 119 GLU CA C 59.39 0.01 1
684 119 119 GLU CB C 29.72 0.01 1
685 119 119 GLU N N 119.08 0.01 1
686 120 120 CYS H H 7.686 0.01 1
687 120 120 CYS HA H 4.442 0.01 1
688 120 120 CYS C C 177.28 0.01 1
689 120 120 CYS CA C 58.48 0.01 1
690 120 120 CYS CB C 39.42 0.01 1
691 120 120 CYS N N 117.95 0.01 1
692 121 121 LEU H H 8.194 0.01 1
693 121 121 LEU HA H 4.021 0.01 1
694 121 121 LEU C C 179.01 0.01 1
695 121 121 LEU CA C 57.67 0.01 1
696 121 121 LEU CB C 41.38 0.01 1
697 121 121 LEU N N 118.00 0.01 1
698 122 122 ALA H H 7.974 0.01 1
699 122 122 ALA HA H 4.226 0.01 1
700 122 122 ALA C C 179.04 0.01 1
701 122 122 ALA CA C 54.16 0.01 1
702 122 122 ALA CB C 18.88 0.01 1
703 122 122 ALA N N 119.94 0.01 1
704 123 123 LYS H H 7.774 0.01 1
705 123 123 LYS HA H 4.191 0.01 1
706 123 123 LYS C C 177.77 0.01 1
707 123 123 LYS CA C 57.71 0.01 1
708 123 123 LYS CB C 32.57 0.01 1
709 123 123 LYS N N 117.94 0.01 1
710 124 124 GLY H H 8.084 0.01 1
711 124 124 GLY HA2 H 3.975 0.01 2
712 124 124 GLY HA3 H 3.975 0.01 2
713 124 124 GLY C C 174.29 0.01 1
714 124 124 GLY CA C 46.06 0.01 1
715 124 124 GLY N N 107.51 0.01 1
716 125 125 GLU H H 7.997 0.01 1
717 125 125 GLU HA H 4.318 0.01 1
718 125 125 GLU C C 176.94 0.01 1
719 125 125 GLU CA C 56.78 0.01 1
720 125 125 GLU CB C 30.76 0.01 1
721 125 125 GLU N N 120.17 0.01 1
722 126 126 LEU H H 8.218 0.01 1
723 126 126 LEU HA H 4.310 0.01 1
724 126 126 LEU C C 177.32 0.01 1
725 126 126 LEU CA C 55.94 0.01 1
726 126 126 LEU CB C 42.54 0.01 1
727 126 126 LEU N N 122.21 0.01 1
728 127 127 ASN H H 8.445 0.01 1
729 127 127 ASN HA H 4.694 0.01 1
730 127 127 ASN C C 175.72 0.01 1
731 127 127 ASN CA C 53.93 0.01 1
732 127 127 ASN CB C 38.97 0.01 1
733 127 127 ASN N N 119.25 0.01 1
734 128 128 SER H H 8.182 0.01 1
735 128 128 SER HA H 4.373 0.01 1
736 128 128 SER C C 174.83 0.01 1
737 128 128 SER CA C 59.12 0.01 1
738 128 128 SER CB C 63.83 0.01 1
739 128 128 SER N N 116.06 0.01 1
740 129 129 LYS H H 8.154 0.01 1
741 129 129 LYS HA H 4.358 0.01 1
742 129 129 LYS C C 176.75 0.01 1
743 129 129 LYS CA C 56.71 0.01 1
744 129 129 LYS CB C 32.76 0.01 1
745 129 129 LYS N N 122.52 0.01 1
746 130 130 LEU H H 8.070 0.01 1
747 130 130 LEU HA H 4.328 0.01 1
748 130 130 LEU C C 177.43 0.01 1
749 130 130 LEU CA C 57.43 0.01 1
750 130 130 LEU CB C 42.38 0.01 1
751 130 130 LEU N N 122.34 0.01 1
752 131 131 GLU H H 8.250 0.01 1
753 131 131 GLU HA H 4.295 0.01 1
754 131 131 GLU C C 176.92 0.01 1
755 131 131 GLU CA C 56.69 0.01 1
756 131 131 GLU CB C 30.38 0.01 1
757 131 131 GLU N N 121.45 0.01 1
758 132 132 GLY H H 8.334 0.01 1
759 132 132 GLY HA2 H 3.945 0.01 2
760 132 132 GLY HA3 H 3.945 0.01 2
761 132 132 GLY C C 173.77 0.01 1
762 132 132 GLY CA C 45.29 0.01 1
763 132 132 GLY N N 109.90 0.01 1
764 133 133 LYS H H 8.037 0.01 1
765 133 133 LYS HA H 4.664 0.01 1
766 133 133 LYS CA C 54.15 0.01 1
767 133 133 LYS CB C 32.71 0.01 1
768 133 133 LYS N N 121.92 0.01 1
769 134 134 PRO HA H 4.451 0.01 1
770 134 134 PRO C C 176.67 0.01 1
771 134 134 PRO CA C 62.94 0.01 1
772 134 134 PRO CB C 31.89 0.01 1
773 135 135 ILE H H 8.227 0.01 1
774 135 135 ILE HA H 4.428 0.01 1
775 135 135 ILE CA C 58.77 0.01 1
776 135 135 ILE CB C 38.64 0.01 1
777 135 135 ILE N N 122.71 0.01 1
778 136 136 PRO HA H 4.372 0.01 1
779 136 136 PRO C C 176.33 0.01 1
780 136 136 PRO CA C 63.25 0.01 1
781 136 136 PRO CB C 32.01 0.01 1
782 137 137 ASN H H 8.383 0.01 1
783 137 137 ASN HA H 4.941 0.01 1
784 137 137 ASN CA C 51.27 0.01 1
785 137 137 ASN CB C 38.67 0.01 1
786 138 138 PRO HA H 4.404 0.01 1
787 138 138 PRO C C 177.21 0.01 1
788 138 138 PRO CA C 63.31 0.01 1
789 138 138 PRO CB C 32.10 0.01 1
790 139 139 LEU H H 8.096 0.01 1
791 139 139 LEU HA H 4.301 0.01 1
792 139 139 LEU C C 177.64 0.01 1
793 139 139 LEU CA C 55.61 0.01 1
794 139 139 LEU CB C 41.54 0.01 1
795 139 139 LEU N N 119.86 0.01 1
796 140 140 LEU H H 7.749 0.01 1
797 140 140 LEU HA H 4.315 0.01 1
798 140 140 LEU C C 177.84 0.01 1
799 140 140 LEU CA C 55.37 0.01 1
800 140 140 LEU CB C 42.39 0.01 1
801 140 140 LEU N N 121.04 0.01 1
802 141 141 GLY H H 8.231 0.01 1
803 141 141 GLY HA2 H 3.943 0.01 2
804 141 141 GLY HA3 H 3.943 0.01 2
805 141 141 GLY C C 174.38 0.01 1
806 141 141 GLY CA C 45.65 0.01 1
807 141 141 GLY N N 108.96 0.01 1
808 142 142 LEU H H 8.004 0.01 1
809 142 142 LEU HA H 4.336 0.01 1
810 142 142 LEU C C 177.39 0.01 1
811 142 142 LEU CA C 55.63 0.01 1
812 142 142 LEU CB C 42.60 0.01 1
813 142 142 LEU N N 121.47 0.01 1
814 143 143 ASP H H 8.380 0.01 1
815 143 143 ASP HA H 4.673 0.01 1
816 143 143 ASP C C 176.87 0.01 1
817 143 143 ASP CA C 54.40 0.01 1
818 143 143 ASP CB C 41.17 0.01 1
819 143 143 ASP N N 120.77 0.01 1
820 144 144 SER H H 8.298 0.01 1
821 144 144 SER HA H 4.413 0.01 1
822 144 144 SER C C 175.30 0.01 1
823 144 144 SER CA C 59.19 0.01 1
824 144 144 SER CB C 63.77 0.01 1
825 144 144 SER N N 116.82 0.01 1
826 145 145 THR H H 8.208 0.01 1
827 145 145 THR HA H 4.419 0.01 1
828 145 145 THR C C 175.07 0.01 1
829 145 145 THR CA C 62.88 0.01 1
830 145 145 THR CB C 69.71 0.01 1
831 145 145 THR N N 114.87 0.01 1
832 146 146 ARG H H 8.122 0.01 1
833 146 146 ARG HA H 4.382 0.01 1
834 146 146 ARG C C 176.57 0.01 1
835 146 146 ARG CA C 56.35 0.01 1
836 146 146 ARG CB C 30.62 0.01 1
837 146 146 ARG N N 122.45 0.01 1
838 147 147 THR H H 8.039 0.01 1
839 147 147 THR HA H 4.400 0.01 1
840 147 147 THR C C 175.20 0.01 1
841 147 147 THR CA C 62.11 0.01 1
842 147 147 THR CB C 69.95 0.01 1
843 147 147 THR N N 113.83 0.01 1
844 148 148 GLY H H 8.352 0.01 1
845 148 148 GLY HA2 H 3.935 0.01 2
846 148 148 GLY HA3 H 3.935 0.01 2
847 148 148 GLY CA C 45.42 0.01 1
848 148 148 GLY N N 110.84 0.01 1
stop_
save_