data_5690 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Cobra Neurotoxin II ; _BMRB_accession_number 5690 _BMRB_flat_file_name bmr5690.str _Entry_type original _Submission_date 2003-02-11 _Accession_date 2003-02-11 _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 Bocharov Eduard V. . 2 Arseniev Alexandre S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 364 "13C chemical shifts" 254 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-05-08 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5052 'Chemical shifts by different group' stop_ _Original_release_date 2003-05-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Bacterial expession of isotope labeled snake neurotoxin, disulfide-rich protein' _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 Lyukmanova Ekaterina N. . 2 Bocharov Eduard V. . 3 Ermolyuk Yaroslav S. . 4 Schulga Alexey A. . 5 Pluzhnikov Kirill A. . 6 Dolgikh Dmitry A. . 7 Arseniev Alexander S. . 8 Kirpichnikov Mikhail P. . stop_ _Journal_abbreviation . _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 . loop_ _Keyword 'neurotoxin II' 'cobra neurotoxins' expression 'heteronuclear NMR' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref-1 _Saveframe_category citation _Citation_full ; Bartels C., Xia T.-H., Billeter M., Guntert P. & Wuthrich K. The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, J. Biomol. NMR (1995) 6, 1-10. ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_neurotoxin_II _Saveframe_category molecular_system _Mol_system_name 'cobra neurotoxin II' _Abbreviation_common 'neurotoxin II' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'neurotoxin II, nt2' $CBT stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function cobrotoxin neurotoxin stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CBT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'neurotoxin II' _Abbreviation_common CBT _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; LECHNQQSSQPPTTKTCSGE TNCYKKWWSDHRGTIIERGC GCPKVKPGVNLNCCRTDRCN N ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 GLU 3 CYS 4 HIS 5 ASN 6 GLN 7 GLN 8 SER 9 SER 10 GLN 11 PRO 12 PRO 13 THR 14 THR 15 LYS 16 THR 17 CYS 18 SER 19 GLY 20 GLU 21 THR 22 ASN 23 CYS 24 TYR 25 LYS 26 LYS 27 TRP 28 TRP 29 SER 30 ASP 31 HIS 32 ARG 33 GLY 34 THR 35 ILE 36 ILE 37 GLU 38 ARG 39 GLY 40 CYS 41 GLY 42 CYS 43 PRO 44 LYS 45 VAL 46 LYS 47 PRO 48 GLY 49 VAL 50 ASN 51 LEU 52 ASN 53 CYS 54 CYS 55 ARG 56 THR 57 ASP 58 ARG 59 CYS 60 ASN 61 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16060 NT_II 100.00 61 100.00 100.00 7.27e-36 BMRB 19704 entity 100.00 61 100.00 100.00 7.27e-36 BMRB 5052 nt2 100.00 61 98.36 98.36 4.00e-35 PDB 1JE9 "Nmr Solution Structure Of Nt2" 100.00 61 98.36 98.36 4.00e-35 PDB 1NOR "Two-Dimensional 1h-Nmr Study Of The Spatial Structure Of Neurotoxin Ii From Naja Oxiana" 100.00 61 100.00 100.00 7.27e-36 SP P01427 "RecName: Full=Short neurotoxin 1; AltName: Full=Neurotoxin II; Short=NTX II; AltName: Full=Neurotoxin alpha [Naja oxiana]" 100.00 61 100.00 100.00 7.27e-36 SP P59276 "RecName: Full=Cobrotoxin-c; Short=CBT-c; AltName: Full=Short neurotoxin II; Short=NT2 [Naja kaouthia]" 100.00 61 98.36 98.36 4.00e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Secretion $CBT 'Central Asian cobra' 8657 Eukaryota Metazoa Naja oxiana 'snake venom' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $CBT 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid . 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 $CBT 2 mM '[U-95% 13C; U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version 1.2.11 loop_ _Task 'peak assignments' stop_ _Details . _Citation_label $ref-1 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model UNITY _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_1 save_ save_13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label $sample_1 save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.0 0.1 n/a temperature 303 0.5 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_nt2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'neurotoxin II, nt2' _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 LEU CA C 54.3 0.2 1 2 . 1 LEU HA H 4.13 0.02 1 3 . 1 LEU CB C 43.5 0.2 1 4 . 1 LEU HB2 H 1.51 0.02 1 5 . 1 LEU HB3 H 1.51 0.02 1 6 . 1 LEU CG C 26.5 0.2 1 7 . 1 LEU HG H 1.39 0.02 1 8 . 1 LEU HD1 H 0.56 0.02 2 9 . 1 LEU HD2 H 0.67 0.02 2 10 . 1 LEU CD1 C 26.0 0.2 1 11 . 1 LEU CD2 C 22.5 0.2 1 12 . 1 LEU C C 171.8 0.2 1 13 . 2 GLU N N 125.6 0.2 1 14 . 2 GLU H H 8.73 0.02 1 15 . 2 GLU CA C 54.0 0.2 1 16 . 2 GLU HA H 5.10 0.02 1 17 . 2 GLU CB C 30.9 0.2 1 18 . 2 GLU HB2 H 1.72 0.02 1 19 . 2 GLU HB3 H 1.72 0.02 1 20 . 2 GLU CG C 33.6 0.2 1 21 . 2 GLU HG2 H 2.13 0.02 2 22 . 2 GLU HG3 H 2.25 0.02 2 23 . 2 GLU C C 175.1 0.2 1 24 . 3 CYS N N 119.2 0.2 1 25 . 3 CYS H H 8.72 0.02 1 26 . 3 CYS CA C 51.4 0.2 1 27 . 3 CYS HA H 5.04 0.02 1 28 . 3 CYS CB C 40.9 0.2 1 29 . 3 CYS HB2 H 2.32 0.02 2 30 . 3 CYS HB3 H 2.90 0.02 2 31 . 3 CYS C C 175.7 0.2 1 32 . 4 HIS N N 119.7 0.2 1 33 . 4 HIS H H 9.77 0.02 1 34 . 4 HIS CA C 57.1 0.2 1 35 . 4 HIS HA H 5.41 0.02 1 36 . 4 HIS CB C 27.8 0.2 1 37 . 4 HIS HB2 H 2.80 0.02 2 38 . 4 HIS HB3 H 3.76 0.02 2 39 . 4 HIS CD2 C 119.5 0.2 1 40 . 4 HIS CE1 C 137.1 0.2 1 41 . 4 HIS HD2 H 6.74 0.02 1 42 . 4 HIS HE1 H 8.81 0.02 1 43 . 4 HIS C C 175.9 0.2 1 44 . 5 ASN N N 116.6 0.2 1 45 . 5 ASN H H 8.25 0.02 1 46 . 5 ASN CA C 52.1 0.2 1 47 . 5 ASN HA H 4.82 0.02 1 48 . 5 ASN CB C 38.8 0.2 1 49 . 5 ASN HB2 H 2.06 0.02 2 50 . 5 ASN HB3 H 3.03 0.02 2 51 . 5 ASN ND2 N 114.2 0.2 1 52 . 5 ASN HD21 H 7.61 0.02 2 53 . 5 ASN HD22 H 7.09 0.02 2 54 . 5 ASN C C 173.7 0.2 1 55 . 6 GLN N N 126.5 0.2 1 56 . 6 GLN H H 9.11 0.02 1 57 . 6 GLN CA C 55.7 0.2 1 58 . 6 GLN HA H 4.53 0.02 1 59 . 6 GLN CB C 26.7 0.2 1 60 . 6 GLN HB2 H 1.89 0.02 2 61 . 6 GLN HB3 H 2.56 0.02 2 62 . 6 GLN CG C 33.2 0.2 1 63 . 6 GLN HG2 H 1.89 0.02 2 64 . 6 GLN HG3 H 2.57 0.02 2 65 . 6 GLN NE2 N 109.8 0.2 1 66 . 6 GLN HE21 H 7.77 0.02 2 67 . 6 GLN HE22 H 6.62 0.02 2 68 . 6 GLN C C 174.6 0.2 1 69 . 7 GLN N N 121.7 0.2 1 70 . 7 GLN H H 8.42 0.02 1 71 . 7 GLN CA C 54.4 0.2 1 72 . 7 GLN HA H 4.76 0.02 1 73 . 7 GLN CB C 30.8 0.2 1 74 . 7 GLN HB2 H 2.00 0.02 2 75 . 7 GLN HB3 H 2.15 0.02 2 76 . 7 GLN CG C 34.2 0.2 1 77 . 7 GLN HG2 H 2.55 0.02 1 78 . 7 GLN HG3 H 2.55 0.02 1 79 . 7 GLN NE2 N 111.3 0.2 1 80 . 7 GLN HE21 H 7.41 0.02 2 81 . 7 GLN HE22 H 6.90 0.02 2 82 . 7 GLN C C 176.4 0.2 1 83 . 8 SER N N 115.8 0.2 1 84 . 8 SER H H 9.60 0.02 1 85 . 8 SER CA C 59.9 0.2 1 86 . 8 SER HA H 3.85 0.02 1 87 . 8 SER CB C 62.4 0.2 1 88 . 8 SER HB2 H 3.96 0.02 2 89 . 8 SER HB3 H 4.10 0.02 2 90 . 8 SER C C 174.7 0.2 1 91 . 9 SER N N 119.5 0.2 1 92 . 9 SER H H 8.30 0.02 1 93 . 9 SER CA C 57.4 0.2 1 94 . 9 SER HA H 4.62 0.02 1 95 . 9 SER CB C 62.7 0.2 1 96 . 9 SER HB2 H 3.93 0.02 2 97 . 9 SER HB3 H 3.95 0.02 2 98 . 9 SER C C 173.9 0.2 1 99 . 10 GLN N N 121.0 0.2 1 100 . 10 GLN H H 8.03 0.02 1 101 . 10 GLN CA C 55.1 0.2 1 102 . 10 GLN HA H 4.31 0.02 1 103 . 10 GLN CB C 27.4 0.2 1 104 . 10 GLN HB2 H 1.96 0.02 2 105 . 10 GLN HB3 H 2.24 0.02 2 106 . 10 GLN CG C 34.4 0.2 1 107 . 10 GLN HG2 H 2.44 0.02 2 108 . 10 GLN HG3 H 2.57 0.02 2 109 . 10 GLN NE2 N 112.1 0.2 1 110 . 10 GLN HE21 H 7.57 0.02 2 111 . 10 GLN HE22 H 6.89 0.02 2 112 . 11 PRO CD C 50.1 0.2 1 113 . 11 PRO CA C 61.6 0.2 1 114 . 11 PRO HA H 4.55 0.02 1 115 . 11 PRO CB C 31.0 0.2 1 116 . 11 PRO HB2 H 2.31 0.02 2 117 . 11 PRO HB3 H 1.73 0.02 2 118 . 11 PRO CG C 28.1 0.2 1 119 . 11 PRO HG2 H 2.11 0.02 2 120 . 11 PRO HG3 H 1.98 0.02 2 121 . 11 PRO HD2 H 3.58 0.02 2 122 . 11 PRO HD3 H 3.77 0.02 2 123 . 12 PRO CD C 50.7 0.2 1 124 . 12 PRO CA C 63.6 0.2 1 125 . 12 PRO HA H 3.76 0.02 1 126 . 12 PRO CB C 32.1 0.2 1 127 . 12 PRO HB2 H 1.78 0.02 1 128 . 12 PRO HB3 H 1.78 0.02 1 129 . 12 PRO CG C 27.8 0.2 1 130 . 12 PRO HG2 H 2.00 0.02 2 131 . 12 PRO HG3 H 1.78 0.02 2 132 . 12 PRO HD2 H 3.54 0.02 2 133 . 12 PRO HD3 H 3.81 0.02 2 134 . 12 PRO C C 176.6 0.2 1 135 . 13 THR N N 113.3 0.2 1 136 . 13 THR H H 7.89 0.02 1 137 . 13 THR CA C 60.3 0.2 1 138 . 13 THR HA H 4.75 0.02 1 139 . 13 THR CB C 72.8 0.2 1 140 . 13 THR HB H 4.49 0.02 1 141 . 13 THR HG2 H 1.19 0.02 1 142 . 13 THR CG2 C 21.5 0.2 1 143 . 13 THR C C 175.9 0.2 1 144 . 14 THR N N 116.6 0.2 1 145 . 14 THR H H 8.84 0.02 1 146 . 14 THR CA C 61.0 0.2 1 147 . 14 THR HA H 4.89 0.02 1 148 . 14 THR CB C 71.9 0.2 1 149 . 14 THR HB H 3.71 0.02 1 150 . 14 THR HG2 H 0.64 0.02 1 151 . 14 THR CG2 C 22.1 0.2 1 152 . 14 THR C C 172.5 0.2 1 153 . 15 LYS N N 121.0 0.2 1 154 . 15 LYS H H 8.74 0.02 1 155 . 15 LYS CA C 54.2 0.2 1 156 . 15 LYS HA H 4.66 0.02 1 157 . 15 LYS CB C 36.3 0.2 1 158 . 15 LYS HB2 H 1.55 0.02 2 159 . 15 LYS HB3 H 1.71 0.02 2 160 . 15 LYS CG C 23.9 0.2 1 161 . 15 LYS HG2 H 1.22 0.02 1 162 . 15 LYS HG3 H 1.22 0.02 1 163 . 15 LYS CD C 29.3 0.2 1 164 . 15 LYS HD2 H 1.64 0.02 2 165 . 15 LYS HD3 H 1.70 0.02 2 166 . 15 LYS CE C 41.9 0.2 1 167 . 15 LYS HE2 H 2.96 0.02 2 168 . 15 LYS HE3 H 3.05 0.02 2 169 . 15 LYS C C 174.3 0.2 1 170 . 16 THR N N 119.7 0.2 1 171 . 16 THR H H 8.65 0.02 1 172 . 16 THR CA C 63.0 0.2 1 173 . 16 THR HA H 4.40 0.02 1 174 . 16 THR CB C 69.1 0.2 1 175 . 16 THR HB H 4.03 0.02 1 176 . 16 THR HG2 H 1.20 0.02 1 177 . 16 THR CG2 C 21.7 0.2 1 178 . 16 THR C C 174.5 0.2 1 179 . 17 CYS N N 126.5 0.2 1 180 . 17 CYS H H 8.76 0.02 1 181 . 17 CYS CA C 52.6 0.2 1 182 . 17 CYS HA H 4.86 0.02 1 183 . 17 CYS CB C 39.2 0.2 1 184 . 17 CYS HB2 H 3.45 0.02 2 185 . 17 CYS HB3 H 2.85 0.02 2 186 . 17 CYS C C 174.9 0.2 1 187 . 18 SER N N 119.9 0.2 1 188 . 18 SER H H 8.81 0.02 1 189 . 18 SER CA C 58.4 0.2 1 190 . 18 SER HA H 4.47 0.02 1 191 . 18 SER CB C 62.7 0.2 1 192 . 18 SER HB2 H 3.82 0.02 2 193 . 18 SER HB3 H 3.87 0.02 2 194 . 18 SER C C 175.1 0.2 1 195 . 19 GLY N N 112.5 0.2 1 196 . 19 GLY H H 8.62 0.02 1 197 . 19 GLY CA C 45.5 0.2 1 198 . 19 GLY HA2 H 3.76 0.02 2 199 . 19 GLY HA3 H 4.09 0.02 2 200 . 19 GLY C C 174.1 0.2 1 201 . 20 GLU N N 117.5 0.2 1 202 . 20 GLU H H 7.65 0.02 1 203 . 20 GLU CA C 55.7 0.2 1 204 . 20 GLU HA H 4.67 0.02 1 205 . 20 GLU CB C 30.7 0.2 1 206 . 20 GLU HB2 H 1.92 0.02 2 207 . 20 GLU HB3 H 2.23 0.02 2 208 . 20 GLU CG C 34.2 0.2 1 209 . 20 GLU HG2 H 2.39 0.02 1 210 . 20 GLU HG3 H 2.39 0.02 1 211 . 20 GLU C C 175.9 0.2 1 212 . 21 THR N N 109.7 0.2 1 213 . 21 THR H H 8.64 0.02 1 214 . 21 THR CA C 61.4 0.2 1 215 . 21 THR HA H 4.38 0.02 1 216 . 21 THR CB C 69.7 0.2 1 217 . 21 THR HB H 4.39 0.02 1 218 . 21 THR HG2 H 1.15 0.02 1 219 . 21 THR CG2 C 21.3 0.2 1 220 . 21 THR C C 173.8 0.2 1 221 . 22 ASN N N 118.5 0.2 1 222 . 22 ASN H H 7.68 0.02 1 223 . 22 ASN CA C 52.1 0.2 1 224 . 22 ASN HA H 5.43 0.02 1 225 . 22 ASN CB C 44.6 0.2 1 226 . 22 ASN HB2 H 2.33 0.02 2 227 . 22 ASN HB3 H 2.70 0.02 2 228 . 22 ASN ND2 N 111.4 0.2 1 229 . 22 ASN HD21 H 7.15 0.02 2 230 . 22 ASN HD22 H 6.75 0.02 2 231 . 22 ASN C C 173.7 0.2 1 232 . 23 CYS N N 116.1 0.2 1 233 . 23 CYS H H 9.27 0.02 1 234 . 23 CYS CA C 52.6 0.2 1 235 . 23 CYS HA H 5.61 0.02 1 236 . 23 CYS CB C 39.7 0.2 1 237 . 23 CYS HB2 H 2.76 0.02 2 238 . 23 CYS HB3 H 3.28 0.02 2 239 . 23 CYS C C 174.9 0.2 1 240 . 24 TYR N N 113.6 0.2 1 241 . 24 TYR H H 8.74 0.02 1 242 . 24 TYR CA C 56.3 0.2 1 243 . 24 TYR HA H 6.22 0.02 1 244 . 24 TYR CB C 42.0 0.2 1 245 . 24 TYR HB2 H 2.99 0.02 2 246 . 24 TYR HB3 H 3.84 0.02 2 247 . 24 TYR CD1 C 134.0 0.2 1 248 . 24 TYR HD1 H 6.71 0.02 1 249 . 24 TYR CE1 C 117.1 0.2 1 250 . 24 TYR HE1 H 6.54 0.02 1 251 . 24 TYR CE2 C 117.1 0.2 1 252 . 24 TYR HE2 H 6.54 0.02 1 253 . 24 TYR CD2 C 134.0 0.2 1 254 . 24 TYR HD2 H 6.71 0.02 1 255 . 24 TYR C C 175.4 0.2 1 256 . 25 LYS N N 125.5 0.2 1 257 . 25 LYS H H 9.13 0.02 1 258 . 25 LYS CA C 56.1 0.2 1 259 . 25 LYS HA H 5.14 0.02 1 260 . 25 LYS CB C 37.4 0.2 1 261 . 25 LYS HB2 H 1.59 0.02 2 262 . 25 LYS HB3 H 1.98 0.02 2 263 . 25 LYS CG C 26.0 0.2 1 264 . 25 LYS HG2 H 1.29 0.02 1 265 . 25 LYS HG3 H 1.29 0.02 1 266 . 25 LYS CD C 29.8 0.2 1 267 . 25 LYS HD2 H 1.37 0.02 2 268 . 25 LYS HD3 H 1.40 0.02 2 269 . 25 LYS CE C 41.5 0.2 1 270 . 25 LYS HE2 H 2.36 0.02 1 271 . 25 LYS HE3 H 2.36 0.02 1 272 . 25 LYS C C 173.3 0.2 1 273 . 26 LYS N N 129.2 0.2 1 274 . 26 LYS H H 10.00 0.02 1 275 . 26 LYS CA C 54.2 0.2 1 276 . 26 LYS HA H 5.98 0.02 1 277 . 26 LYS CB C 37.7 0.2 1 278 . 26 LYS HB2 H 1.96 0.02 2 279 . 26 LYS HB3 H 1.99 0.02 2 280 . 26 LYS CG C 25.3 0.2 1 281 . 26 LYS HG2 H 1.58 0.02 1 282 . 26 LYS HG3 H 1.58 0.02 1 283 . 26 LYS CD C 30.6 0.2 1 284 . 26 LYS HD2 H 1.58 0.02 1 285 . 26 LYS HD3 H 1.58 0.02 1 286 . 26 LYS CE C 41.7 0.2 1 287 . 26 LYS HE2 H 2.73 0.02 1 288 . 26 LYS HE3 H 2.73 0.02 1 289 . 26 LYS C C 174.6 0.2 1 290 . 27 TRP N N 123.0 0.2 1 291 . 27 TRP H H 9.13 0.02 1 292 . 27 TRP CA C 57.1 0.2 1 293 . 27 TRP HA H 6.18 0.02 1 294 . 27 TRP CB C 34.3 0.2 1 295 . 27 TRP HB2 H 3.13 0.02 2 296 . 27 TRP HB3 H 3.30 0.02 2 297 . 27 TRP CD1 C 127.1 0.2 1 298 . 27 TRP CE3 C 121.6 0.2 1 299 . 27 TRP NE1 N 130.9 0.2 1 300 . 27 TRP HD1 H 7.04 0.02 1 301 . 27 TRP HE3 H 7.17 0.02 1 302 . 27 TRP CZ3 C 121.9 0.2 1 303 . 27 TRP CZ2 C 115.0 0.2 1 304 . 27 TRP HE1 H 10.33 0.02 1 305 . 27 TRP HZ3 H 6.86 0.02 1 306 . 27 TRP CH2 C 124.6 0.2 1 307 . 27 TRP HZ2 H 7.42 0.02 1 308 . 27 TRP HH2 H 7.13 0.02 1 309 . 27 TRP C C 173.6 0.2 1 310 . 28 TRP N N 120.5 0.2 1 311 . 28 TRP H H 8.68 0.02 1 312 . 28 TRP CA C 57.0 0.2 1 313 . 28 TRP HA H 5.03 0.02 1 314 . 28 TRP CB C 31.7 0.2 1 315 . 28 TRP HB2 H 3.62 0.02 2 316 . 28 TRP HB3 H 3.33 0.02 2 317 . 28 TRP CD1 C 127.3 0.2 1 318 . 28 TRP CE3 C 121.1 0.2 1 319 . 28 TRP NE1 N 130.1 0.2 1 320 . 28 TRP HD1 H 7.00 0.02 1 321 . 28 TRP HE3 H 7.20 0.02 1 322 . 28 TRP CZ3 C 120.7 0.2 1 323 . 28 TRP CZ2 C 115.3 0.2 1 324 . 28 TRP HE1 H 10.25 0.02 1 325 . 28 TRP HZ3 H 6.71 0.02 1 326 . 28 TRP CH2 C 124.0 0.2 1 327 . 28 TRP HZ2 H 7.40 0.02 1 328 . 28 TRP HH2 H 7.09 0.02 1 329 . 28 TRP C C 172.8 0.2 1 330 . 29 SER N N 113.9 0.2 1 331 . 29 SER H H 8.60 0.02 1 332 . 29 SER CA C 57.3 0.2 1 333 . 29 SER HA H 5.20 0.02 1 334 . 29 SER CB C 65.1 0.2 1 335 . 29 SER HB2 H 3.74 0.02 2 336 . 29 SER HB3 H 3.85 0.02 2 337 . 29 SER C C 173.9 0.2 1 338 . 30 ASP N N 124.4 0.2 1 339 . 30 ASP H H 8.64 0.02 1 340 . 30 ASP CA C 52.6 0.2 1 341 . 30 ASP HA H 4.88 0.02 1 342 . 30 ASP CB C 41.4 0.2 1 343 . 30 ASP HB2 H 2.82 0.02 2 344 . 30 ASP HB3 H 3.09 0.02 2 345 . 30 ASP C C 176.5 0.2 1 346 . 31 HIS N N 117.4 0.2 1 347 . 31 HIS H H 8.83 0.02 1 348 . 31 HIS CA C 58.6 0.2 1 349 . 31 HIS HA H 4.36 0.02 1 350 . 31 HIS CB C 27.5 0.2 1 351 . 31 HIS HB2 H 3.36 0.02 1 352 . 31 HIS HB3 H 3.36 0.02 1 353 . 31 HIS CD2 C 119.9 0.2 1 354 . 31 HIS CE1 C 136.3 0.2 1 355 . 31 HIS HD2 H 7.33 0.02 1 356 . 31 HIS HE1 H 8.63 0.02 1 357 . 31 HIS C C 175.2 0.2 1 358 . 32 ARG N N 117.2 0.2 1 359 . 32 ARG H H 8.57 0.02 1 360 . 32 ARG CA C 56.7 0.2 1 361 . 32 ARG HA H 4.25 0.02 1 362 . 32 ARG CB C 30.1 0.2 1 363 . 32 ARG HB2 H 1.84 0.02 2 364 . 32 ARG HB3 H 1.92 0.02 2 365 . 32 ARG CG C 27.1 0.2 1 366 . 32 ARG HG2 H 1.46 0.02 2 367 . 32 ARG HG3 H 1.55 0.02 2 368 . 32 ARG CD C 43.3 0.2 1 369 . 32 ARG HD2 H 3.16 0.02 1 370 . 32 ARG HD3 H 3.16 0.02 1 371 . 32 ARG NE N 84.2 0.2 1 372 . 32 ARG HE H 7.31 0.02 1 373 . 32 ARG CZ C 159.8 0.2 1 374 . 32 ARG C C 175.9 0.2 1 375 . 33 GLY N N 108.4 0.2 1 376 . 33 GLY H H 7.88 0.02 1 377 . 33 GLY CA C 44.6 0.2 1 378 . 33 GLY HA2 H 3.95 0.02 2 379 . 33 GLY HA3 H 4.20 0.02 2 380 . 33 GLY C C 172.3 0.2 1 381 . 34 THR N N 117.4 0.2 1 382 . 34 THR H H 8.35 0.02 1 383 . 34 THR CA C 62.4 0.2 1 384 . 34 THR HA H 4.67 0.02 1 385 . 34 THR CB C 70.3 0.2 1 386 . 34 THR HB H 3.79 0.02 1 387 . 34 THR HG2 H 1.05 0.02 1 388 . 34 THR CG2 C 21.5 0.2 1 389 . 34 THR C C 173.6 0.2 1 390 . 35 ILE N N 130.9 0.2 1 391 . 35 ILE H H 8.65 0.02 1 392 . 35 ILE CA C 60.1 0.2 1 393 . 35 ILE HA H 3.88 0.02 1 394 . 35 ILE CB C 38.4 0.2 1 395 . 35 ILE HB H 0.12 0.02 1 396 . 35 ILE HG2 H 0.30 0.02 1 397 . 35 ILE CG2 C 18.3 0.2 1 398 . 35 ILE CG1 C 27.6 0.2 1 399 . 35 ILE HG12 H 0.77 0.02 2 400 . 35 ILE HG13 H 1.03 0.02 2 401 . 35 ILE HD1 H 0.54 0.02 1 402 . 35 ILE CD1 C 12.1 0.2 1 403 . 35 ILE C C 173.8 0.2 1 404 . 36 ILE N N 121.5 0.2 1 405 . 36 ILE H H 7.52 0.02 1 406 . 36 ILE CA C 59.7 0.2 1 407 . 36 ILE HA H 5.13 0.02 1 408 . 36 ILE CB C 42.0 0.2 1 409 . 36 ILE HB H 1.38 0.02 1 410 . 36 ILE HG2 H 0.83 0.02 1 411 . 36 ILE CG2 C 18.8 0.2 1 412 . 36 ILE CG1 C 27.3 0.2 1 413 . 36 ILE HG12 H 0.83 0.02 2 414 . 36 ILE HG13 H 1.47 0.02 2 415 . 36 ILE HD1 H 0.61 0.02 1 416 . 36 ILE CD1 C 14.3 0.2 1 417 . 36 ILE C C 175.6 0.2 1 418 . 37 GLU N N 127.5 0.2 1 419 . 37 GLU H H 9.86 0.02 1 420 . 37 GLU CA C 54.2 0.2 1 421 . 37 GLU HA H 4.94 0.02 1 422 . 37 GLU CB C 33.0 0.2 1 423 . 37 GLU HB2 H 2.14 0.02 2 424 . 37 GLU HB3 H 2.40 0.02 2 425 . 37 GLU CG C 34.8 0.2 1 426 . 37 GLU HG2 H 2.48 0.02 2 427 . 37 GLU HG3 H 2.57 0.02 2 428 . 37 GLU C C 174.1 0.2 1 429 . 38 ARG N N 122.9 0.2 1 430 . 38 ARG H H 8.66 0.02 1 431 . 38 ARG CA C 53.9 0.2 1 432 . 38 ARG HA H 4.83 0.02 1 433 . 38 ARG CB C 34.9 0.2 1 434 . 38 ARG HB2 H 1.13 0.02 2 435 . 38 ARG HB3 H 1.42 0.02 2 436 . 38 ARG CG C 29.0 0.2 1 437 . 38 ARG HG2 H 1.43 0.02 2 438 . 38 ARG HG3 H 1.57 0.02 2 439 . 38 ARG CD C 43.8 0.2 1 440 . 38 ARG HD2 H 3.04 0.02 2 441 . 38 ARG HD3 H 3.07 0.02 2 442 . 38 ARG NE N 83.8 0.2 1 443 . 38 ARG HE H 7.07 0.02 1 444 . 38 ARG CZ C 159.7 0.2 1 445 . 38 ARG C C 175.0 0.2 1 446 . 39 GLY N N 104.2 0.2 1 447 . 39 GLY H H 6.26 0.02 1 448 . 39 GLY CA C 46.3 0.2 1 449 . 39 GLY HA2 H 3.79 0.02 2 450 . 39 GLY HA3 H 3.85 0.02 2 451 . 39 GLY C C 171.9 0.2 1 452 . 40 CYS N N 118.7 0.2 1 453 . 40 CYS H H 8.72 0.02 1 454 . 40 CYS CA C 56.0 0.2 1 455 . 40 CYS HA H 5.18 0.02 1 456 . 40 CYS CB C 43.9 0.2 1 457 . 40 CYS HB2 H 3.12 0.02 2 458 . 40 CYS HB3 H 2.93 0.02 2 459 . 40 CYS C C 175.0 0.2 1 460 . 41 GLY N N 111.1 0.2 1 461 . 41 GLY H H 9.24 0.02 1 462 . 41 GLY CA C 44.0 0.2 1 463 . 41 GLY HA2 H 3.71 0.02 2 464 . 41 GLY HA3 H 4.27 0.02 2 465 . 41 GLY C C 170.7 0.2 1 466 . 42 CYS N N 113.0 0.2 1 467 . 42 CYS H H 8.04 0.02 1 468 . 42 CYS CA C 53.3 0.2 1 469 . 42 CYS HA H 5.09 0.02 1 470 . 42 CYS CB C 38.0 0.2 1 471 . 42 CYS HB2 H 2.59 0.02 2 472 . 42 CYS HB3 H 2.85 0.02 2 473 . 43 PRO CD C 50.5 0.2 1 474 . 43 PRO CA C 62.4 0.2 1 475 . 43 PRO HA H 4.28 0.02 1 476 . 43 PRO CB C 32.4 0.2 1 477 . 43 PRO HB2 H 1.62 0.02 2 478 . 43 PRO HB3 H 1.84 0.02 2 479 . 43 PRO CG C 25.3 0.2 1 480 . 43 PRO HG2 H 1.00 0.02 2 481 . 43 PRO HG3 H 0.76 0.02 2 482 . 43 PRO HD2 H 2.77 0.02 2 483 . 43 PRO HD3 H 2.93 0.02 2 484 . 43 PRO C C 174.4 0.2 1 485 . 44 LYS N N 116.9 0.2 1 486 . 44 LYS H H 7.77 0.02 1 487 . 44 LYS CA C 55.8 0.2 1 488 . 44 LYS HA H 4.18 0.02 1 489 . 44 LYS CB C 32.5 0.2 1 490 . 44 LYS HB2 H 1.59 0.02 1 491 . 44 LYS HB3 H 1.59 0.02 1 492 . 44 LYS CG C 24.9 0.2 1 493 . 44 LYS HG2 H 1.32 0.02 2 494 . 44 LYS HG3 H 1.42 0.02 2 495 . 44 LYS CD C 28.9 0.2 1 496 . 44 LYS HD2 H 1.60 0.02 1 497 . 44 LYS HD3 H 1.60 0.02 1 498 . 44 LYS CE C 41.9 0.2 1 499 . 44 LYS HE2 H 2.93 0.02 1 500 . 44 LYS HE3 H 2.93 0.02 1 501 . 44 LYS C C 177.4 0.2 1 502 . 45 VAL N N 116.9 0.2 1 503 . 45 VAL H H 8.16 0.02 1 504 . 45 VAL CA C 59.3 0.2 1 505 . 45 VAL HA H 4.43 0.02 1 506 . 45 VAL CB C 34.9 0.2 1 507 . 45 VAL HB H 1.99 0.02 1 508 . 45 VAL HG1 H 0.69 0.02 2 509 . 45 VAL HG2 H 0.67 0.02 2 510 . 45 VAL CG1 C 18.8 0.2 1 511 . 45 VAL CG2 C 22.7 0.2 1 512 . 45 VAL C C 175.1 0.2 1 513 . 46 LYS N N 122.8 0.2 1 514 . 46 LYS H H 7.84 0.02 1 515 . 46 LYS CA C 54.2 0.2 1 516 . 46 LYS HA H 4.41 0.02 1 517 . 46 LYS CB C 32.1 0.2 1 518 . 46 LYS HB2 H 1.47 0.02 2 519 . 46 LYS HB3 H 1.68 0.02 2 520 . 46 LYS CG C 24.8 0.2 1 521 . 46 LYS HG2 H 1.32 0.02 1 522 . 46 LYS HG3 H 1.32 0.02 1 523 . 46 LYS CD C 28.9 0.2 1 524 . 46 LYS HD2 H 1.51 0.02 1 525 . 46 LYS HD3 H 1.51 0.02 1 526 . 46 LYS CE C 41.7 0.2 1 527 . 46 LYS HE2 H 2.80 0.02 1 528 . 46 LYS HE3 H 2.80 0.02 1 529 . 47 PRO CD C 50.4 0.2 1 530 . 47 PRO CA C 64.0 0.2 1 531 . 47 PRO HA H 4.25 0.02 1 532 . 47 PRO CB C 31.5 0.2 1 533 . 47 PRO HB2 H 2.25 0.02 2 534 . 47 PRO HB3 H 1.75 0.02 2 535 . 47 PRO CG C 27.9 0.2 1 536 . 47 PRO HG2 H 1.94 0.02 2 537 . 47 PRO HG3 H 2.05 0.02 2 538 . 47 PRO HD2 H 3.48 0.02 2 539 . 47 PRO HD3 H 3.75 0.02 2 540 . 47 PRO C C 177.3 0.2 1 541 . 48 GLY N N 112.1 0.2 1 542 . 48 GLY H H 8.61 0.02 1 543 . 48 GLY CA C 44.9 0.2 1 544 . 48 GLY HA2 H 3.55 0.02 2 545 . 48 GLY HA3 H 4.21 0.02 2 546 . 48 GLY C C 173.7 0.2 1 547 . 49 VAL N N 121.2 0.2 1 548 . 49 VAL H H 7.58 0.02 1 549 . 49 VAL CA C 61.9 0.2 1 550 . 49 VAL HA H 4.05 0.02 1 551 . 49 VAL CB C 32.7 0.2 1 552 . 49 VAL HB H 1.99 0.02 1 553 . 49 VAL HG1 H 0.48 0.02 2 554 . 49 VAL HG2 H 0.81 0.02 2 555 . 49 VAL CG1 C 21.6 0.2 1 556 . 49 VAL CG2 C 22.0 0.2 1 557 . 49 VAL C C 174.6 0.2 1 558 . 50 ASN N N 124.6 0.2 1 559 . 50 ASN H H 8.25 0.02 1 560 . 50 ASN CA C 52.9 0.2 1 561 . 50 ASN HA H 4.28 0.02 1 562 . 50 ASN CB C 38.5 0.2 1 563 . 50 ASN HB2 H 0.67 0.02 2 564 . 50 ASN HB3 H 0.77 0.02 2 565 . 50 ASN ND2 N 113.9 0.2 1 566 . 50 ASN HD21 H 6.91 0.02 2 567 . 50 ASN HD22 H 6.01 0.02 2 568 . 50 ASN C C 172.6 0.2 1 569 . 51 LEU N N 122.0 0.2 1 570 . 51 LEU H H 8.12 0.02 1 571 . 51 LEU CA C 54.0 0.2 1 572 . 51 LEU HA H 5.23 0.02 1 573 . 51 LEU CB C 47.2 0.2 1 574 . 51 LEU HB2 H 1.22 0.02 2 575 . 51 LEU HB3 H 1.66 0.02 2 576 . 51 LEU CG C 27.9 0.2 1 577 . 51 LEU HG H 1.43 0.02 1 578 . 51 LEU HD1 H 0.87 0.02 2 579 . 51 LEU HD2 H 0.85 0.02 2 580 . 51 LEU CD1 C 24.3 0.2 1 581 . 51 LEU CD2 C 27.4 0.2 1 582 . 51 LEU C C 175.4 0.2 1 583 . 52 ASN N N 124.7 0.2 1 584 . 52 ASN H H 9.42 0.02 1 585 . 52 ASN CA C 52.8 0.2 1 586 . 52 ASN HA H 5.18 0.02 1 587 . 52 ASN CB C 42.7 0.2 1 588 . 52 ASN HB2 H 2.91 0.02 1 589 . 52 ASN HB3 H 2.91 0.02 1 590 . 52 ASN ND2 N 110.8 0.2 1 591 . 52 ASN HD21 H 7.64 0.02 2 592 . 52 ASN HD22 H 7.00 0.02 2 593 . 52 ASN C C 174.0 0.2 1 594 . 53 CYS N N 122.5 0.2 1 595 . 53 CYS H H 9.00 0.02 1 596 . 53 CYS CA C 53.7 0.2 1 597 . 53 CYS HA H 5.86 0.02 1 598 . 53 CYS CB C 43.6 0.2 1 599 . 53 CYS HB2 H 3.17 0.02 2 600 . 53 CYS HB3 H 3.40 0.02 2 601 . 53 CYS C C 172.2 0.2 1 602 . 54 CYS N N 119.7 0.2 1 603 . 54 CYS H H 9.38 0.02 1 604 . 54 CYS CA C 54.4 0.2 1 605 . 54 CYS HA H 5.21 0.02 1 606 . 54 CYS CB C 46.0 0.2 1 607 . 54 CYS HB2 H 3.29 0.02 2 608 . 54 CYS HB3 H 3.57 0.02 2 609 . 54 CYS C C 174.2 0.2 1 610 . 55 ARG N N 118.4 0.2 1 611 . 55 ARG H H 8.84 0.02 1 612 . 55 ARG CA C 57.0 0.2 1 613 . 55 ARG HA H 5.01 0.02 1 614 . 55 ARG CB C 32.3 0.2 1 615 . 55 ARG HB2 H 1.82 0.02 2 616 . 55 ARG HB3 H 2.19 0.02 2 617 . 55 ARG CG C 27.1 0.2 1 618 . 55 ARG HG2 H 1.57 0.02 2 619 . 55 ARG HG3 H 1.75 0.02 2 620 . 55 ARG CD C 43.5 0.2 1 621 . 55 ARG HD2 H 3.22 0.02 1 622 . 55 ARG HD3 H 3.22 0.02 1 623 . 55 ARG NE N 84.1 0.2 1 624 . 55 ARG HE H 7.17 0.02 1 625 . 55 ARG CZ C 159.7 0.2 1 626 . 55 ARG C C 175.5 0.2 1 627 . 56 THR N N 110.3 0.2 1 628 . 56 THR H H 7.45 0.02 1 629 . 56 THR CA C 59.8 0.2 1 630 . 56 THR HA H 4.70 0.02 1 631 . 56 THR CB C 71.9 0.2 1 632 . 56 THR HB H 4.26 0.02 1 633 . 56 THR HG2 H 1.14 0.02 1 634 . 56 THR CG2 C 22.0 0.2 1 635 . 56 THR C C 173.4 0.2 1 636 . 57 ASP N N 118.7 0.2 1 637 . 57 ASP H H 8.34 0.02 1 638 . 57 ASP CA C 55.5 0.2 1 639 . 57 ASP HA H 4.62 0.02 1 640 . 57 ASP CB C 40.9 0.2 1 641 . 57 ASP HB2 H 2.37 0.02 2 642 . 57 ASP HB3 H 2.52 0.02 2 643 . 57 ASP C C 177.2 0.2 1 644 . 58 ARG N N 113.2 0.2 1 645 . 58 ARG H H 9.42 0.02 1 646 . 58 ARG CA C 58.1 0.2 1 647 . 58 ARG HA H 3.05 0.02 1 648 . 58 ARG CB C 26.8 0.2 1 649 . 58 ARG HB2 H 1.91 0.02 2 650 . 58 ARG HB3 H 1.73 0.02 2 651 . 58 ARG CG C 28.8 0.2 1 652 . 58 ARG HG2 H 0.54 0.02 2 653 . 58 ARG HG3 H 1.21 0.02 2 654 . 58 ARG CD C 42.8 0.2 1 655 . 58 ARG HD2 H 2.92 0.02 2 656 . 58 ARG HD3 H 3.12 0.02 2 657 . 58 ARG NE N 82.8 0.2 1 658 . 58 ARG HE H 7.23 0.02 1 659 . 58 ARG CZ C 159.5 0.2 1 660 . 58 ARG C C 175.2 0.2 1 661 . 59 CYS N N 112.8 0.2 1 662 . 59 CYS H H 7.73 0.02 1 663 . 59 CYS CA C 57.2 0.2 1 664 . 59 CYS HA H 4.41 0.02 1 665 . 59 CYS CB C 45.3 0.2 1 666 . 59 CYS HB2 H 3.77 0.02 2 667 . 59 CYS HB3 H 3.33 0.02 2 668 . 59 CYS C C 174.2 0.2 1 669 . 60 ASN N N 121.7 0.2 1 670 . 60 ASN H H 9.13 0.02 1 671 . 60 ASN CA C 52.9 0.2 1 672 . 60 ASN HA H 4.77 0.02 1 673 . 60 ASN CB C 36.1 0.2 1 674 . 60 ASN HB2 H 2.72 0.02 2 675 . 60 ASN HB3 H 2.20 0.02 2 676 . 60 ASN ND2 N 117.4 0.2 1 677 . 60 ASN HD21 H 8.33 0.02 2 678 . 60 ASN HD22 H 8.01 0.02 2 679 . 60 ASN C C 173.9 0.2 1 680 . 61 ASN N N 121.9 0.2 1 681 . 61 ASN H H 7.56 0.02 1 682 . 61 ASN CA C 56.5 0.2 1 683 . 61 ASN HA H 4.01 0.02 1 684 . 61 ASN CB C 39.3 0.2 1 685 . 61 ASN HB2 H 2.42 0.02 2 686 . 61 ASN HB3 H 2.49 0.02 2 687 . 61 ASN ND2 N 112.8 0.2 1 688 . 61 ASN HD21 H 7.41 0.02 2 689 . 61 ASN HD22 H 6.56 0.02 2 stop_ save_