data_4322 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Chemical Shift Assignment for the Complete Consensus V3 Loop Peptide of the Envelope Protein gp120 of HIV-1 in 20% Trifluoroethanol/Water. ; _BMRB_accession_number 4322 _BMRB_flat_file_name bmr4322.str _Entry_type original _Submission_date 1999-03-19 _Accession_date 1999-03-19 _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 Vranken Wim F. . 2 Budesinsky Milos . . 3 Fant Franky . . 4 Boulez Kris . . 5 Borremans Frans A.M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 412 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-03-26 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 4298 'V3 loop peptide of RF HIV-1 gp120 envelope protein' stop_ _Original_release_date 1999-03-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Vranken, W. F., Budesinsky, M., Fant, F., Boulez, K., and Borremans, F. A. M., "The Complete Consensus V3 Loop Peptide of the Envelope Protein gp120 of HIV-1 Shows Pronounced Helical Character in Solution," FEBS Lett. 374, 117-121 (1995). ; _Citation_title ; The Complete Consensus V3 Loop Peptide of the Envelope Protein gp120 of HIV-1 Shows Pronounced Helical Character in Solution. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 96049568 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vranken Wim F. . 2 Budesinsky Milos . . 3 Fant Franky . . 4 Boulez Kris . . 5 Borremans Frans A.M. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS Letters' _Journal_volume 374 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 117 _Page_last 121 _Year 1995 _Details . loop_ _Keyword 'Consenus sequence V3 loop' 'amphipathic helix' stop_ save_ ################################## # Molecular system description # ################################## save_Consensus_V3_loop _Saveframe_category molecular_system _Mol_system_name 'consensus V3 loop peptide' _Abbreviation_common 'Consensus V3 loop' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Consensus V3 loop' $V3_loop stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'crucial in viral infection process of HIV-1' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_V3_loop _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'consensus V3 loop' _Name_variant Consensus _Abbreviation_common 'V3 loop' _Molecular_mass 3895.3 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 35 _Mol_residue_sequence ; CTRPNNNTRKSIHIGPGRAF YTTGEIIGDIRQAHC ; loop_ _Residue_seq_code _Residue_label 1 CYS 2 THR 3 ARG 4 PRO 5 ASN 6 ASN 7 ASN 8 THR 9 ARG 10 LYS 11 SER 12 ILE 13 HIS 14 ILE 15 GLY 16 PRO 17 GLY 18 ARG 19 ALA 20 PHE 21 TYR 22 THR 23 THR 24 GLY 25 GLU 26 ILE 27 ILE 28 GLY 29 ASP 30 ILE 31 ARG 32 GLN 33 ALA 34 HIS 35 CYS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 DBJ BAA21202 'envelope glycoprotein [Human immunodeficiency virus 1]' 100.00 229 100.00 100.00 2.98e-13 DBJ BAF35886 'envelope glycoprotein gp120 [Human immunodeficiency virus 1]' 100.00 76 100.00 100.00 3.83e-13 EMBL CAA08295 'envelope protein [Human immunodeficiency virus 1]' 100.00 109 100.00 100.00 1.97e-13 EMBL CAA08296 'envelope protein [Human immunodeficiency virus 1]' 100.00 109 100.00 100.00 1.85e-13 EMBL CAA12785 'gp120 [Human immunodeficiency virus 1]' 100.00 85 100.00 100.00 1.93e-13 EMBL CAA12814 'gp120 [Human immunodeficiency virus 1]' 100.00 84 100.00 100.00 2.59e-13 EMBL CAA82418 'envelope protein [Human immunodeficiency virus 1]' 100.00 92 100.00 100.00 1.87e-13 GenBank AAA19836 'envelope glycoprotein' 100.00 92 100.00 100.00 2.29e-13 GenBank AAA19841 'envelope glycoprotein' 100.00 92 100.00 100.00 2.27e-13 GenBank AAA19848 'envelope glycoprotein' 100.00 93 100.00 100.00 1.90e-13 GenBank AAA44191 env 100.00 855 100.00 100.00 6.64e-15 GenBank AAA44789 'envelope glycoprotein' 100.00 213 100.00 100.00 4.06e-13 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Variant _Gene_mnemonic $V3_loop HIV-1 11676 . . Lentivirus 'Human immunodeficiency virus type 1' consensus ENV 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 _Details $V3_loop vendor . . . . . ; Synthesized at Neosystem Laboratoire (Strasbourg, France) ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_water_sample _Saveframe_category sample _Sample_type solution _Details 'Solvent water' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $V3_loop 4.0 mM . H2O 90 % . D2O 10 % . stop_ save_ save_20%_TFE_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $V3_loop 3.4 mM . TFE 20 % . H2O 70 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_PRONTO _Saveframe_category software _Name PRONTO _Version . loop_ _Task 'Analysis of spectra' stop_ _Details . save_ save_UXNMR _Saveframe_category software _Name UXNMR _Version . loop_ _Task 'Processing of spectra' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H_magnitude_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H magnitude COSY' _Sample_label . save_ save_1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H TOCSY' _Sample_label . save_ save_1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H NOESY' _Sample_label . save_ save_1H_ROESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H ROESY' _Sample_label . save_ save_1H_CT-NOE_spectra_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H CT-NOE spectra' _Sample_label . save_ ####################### # Sample conditions # ####################### save_lowT _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.5 0.1 na temperature 275 0.1 K stop_ save_ save_highT _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.5 0.1 na temperature 290 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_shifts_water _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H magnitude COSY' '1H TOCSY' '1H NOESY' '1H ROESY' '1H CT-NOE spectra' stop_ loop_ _Sample_label $water_sample stop_ _Sample_conditions_label $lowT _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Consensus V3 loop' _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 CYS HA H 4.48 0.01 1 2 . 1 CYS HB2 H 3.37 0.01 2 3 . 1 CYS HB3 H 3.14 0.01 2 4 . 2 THR H H 9.11 0.01 1 5 . 2 THR HA H 4.44 0.01 1 6 . 2 THR HB H 4.13 0.01 1 7 . 2 THR HG2 H 1.23 0.01 1 8 . 3 ARG H H 8.79 0.01 1 9 . 3 ARG HA H 4.63 0.01 1 10 . 3 ARG HB2 H 1.86 0.01 2 11 . 3 ARG HB3 H 1.76 0.01 2 12 . 3 ARG HG2 H 1.70 0.01 1 13 . 3 ARG HG3 H 1.70 0.01 1 14 . 3 ARG HD2 H 3.21 0.01 1 15 . 3 ARG HD3 H 3.21 0.01 1 16 . 3 ARG HE H 7.31 0.01 1 17 . 4 PRO HA H 4.41 0.01 1 18 . 4 PRO HB2 H 2.29 0.01 2 19 . 4 PRO HB3 H 1.91 0.01 2 20 . 4 PRO HG2 H 2.02 0.01 1 21 . 4 PRO HG3 H 2.02 0.01 1 22 . 4 PRO HD2 H 3.84 0.01 2 23 . 4 PRO HD3 H 3.65 0.01 2 24 . 5 ASN H H 8.75 0.01 1 25 . 5 ASN HA H 4.68 0.01 1 26 . 5 ASN HB2 H 2.85 0.01 2 27 . 5 ASN HB3 H 2.81 0.01 2 28 . 5 ASN HD21 H 7.79 0.01 2 29 . 5 ASN HD22 H 7.08 0.01 2 30 . 6 ASN H H 8.67 0.01 1 31 . 6 ASN HA H 4.73 0.01 1 32 . 6 ASN HB2 H 2.87 0.01 2 33 . 6 ASN HB3 H 2.79 0.01 2 34 . 6 ASN HD21 H 7.79 0.01 2 35 . 6 ASN HD22 H 7.07 0.02 2 36 . 7 ASN H H 8.65 0.01 1 37 . 7 ASN HA H 4.77 0.01 1 38 . 7 ASN HB2 H 2.89 0.01 2 39 . 7 ASN HB3 H 2.81 0.01 2 40 . 7 ASN HD21 H 7.75 0.01 2 41 . 7 ASN HD22 H 7.06 0.01 2 42 . 8 THR H H 8.26 0.01 1 43 . 8 THR HA H 4.31 0.01 1 44 . 8 THR HB H 4.28 0.01 1 45 . 8 THR HG2 H 1.22 0.01 1 46 . 9 ARG H H 8.47 0.01 1 47 . 9 ARG HA H 4.33 0.01 1 48 . 9 ARG HB2 H 1.86 0.01 2 49 . 9 ARG HB3 H 1.79 0.01 2 50 . 9 ARG HG2 H 1.64 0.01 1 51 . 9 ARG HG3 H 1.64 0.01 1 52 . 9 ARG HD2 H 3.19 0.01 1 53 . 9 ARG HD3 H 3.19 0.01 1 54 . 9 ARG HE H 7.26 0.01 1 55 . 10 LYS H H 8.50 0.01 1 56 . 10 LYS HA H 4.34 0.01 1 57 . 10 LYS HB2 H 1.84 0.01 2 58 . 10 LYS HB3 H 1.76 0.01 2 59 . 10 LYS HG2 H 1.47 0.01 2 60 . 10 LYS HG3 H 1.42 0.01 2 61 . 10 LYS HD2 H 1.68 0.01 1 62 . 10 LYS HD3 H 1.68 0.01 1 63 . 10 LYS HE2 H 2.99 0.01 1 64 . 10 LYS HE3 H 2.99 0.01 1 65 . 10 LYS HZ H 7.64 0.01 1 66 . 11 SER H H 8.47 0.01 1 67 . 11 SER HA H 4.47 0.01 1 68 . 11 SER HB2 H 3.83 0.01 1 69 . 11 SER HB3 H 3.83 0.01 1 70 . 12 ILE H H 8.33 0.01 1 71 . 12 ILE HA H 4.19 0.01 1 72 . 12 ILE HB H 1.82 0.01 1 73 . 12 ILE HG12 H 1.34 0.01 2 74 . 12 ILE HG13 H 1.13 0.01 2 75 . 12 ILE HG2 H 0.85 0.01 1 76 . 12 ILE HD1 H 0.83 0.01 1 77 . 13 HIS H H 8.77 0.01 1 78 . 13 HIS HA H 4.73 0.01 1 79 . 13 HIS HB2 H 3.18 0.01 2 80 . 13 HIS HB3 H 3.10 0.01 2 81 . 13 HIS HD2 H 7.23 0.01 1 82 . 13 HIS HE1 H 8.57 0.01 1 83 . 14 ILE H H 8.44 0.01 1 84 . 14 ILE HA H 4.23 0.01 1 85 . 14 ILE HB H 1.82 0.01 1 86 . 14 ILE HG12 H 1.45 0.01 2 87 . 14 ILE HG13 H 1.14 0.01 2 88 . 14 ILE HG2 H 0.91 0.01 1 89 . 14 ILE HD1 H 0.83 0.01 1 90 . 15 GLY H H 8.54 0.01 1 91 . 15 GLY HA2 H 4.12 0.01 1 92 . 15 GLY HA3 H 4.12 0.01 1 93 . 16 PRO HA H 4.47 0.01 1 94 . 16 PRO HB2 H 2.28 0.01 2 95 . 16 PRO HB3 H 1.99 0.02 2 96 . 16 PRO HG2 H 2.03 0.01 1 97 . 16 PRO HG3 H 2.03 0.01 1 98 . 16 PRO HD2 H 3.67 0.01 2 99 . 16 PRO HD3 H 3.64 0.01 2 100 . 17 GLY H H 8.72 0.01 1 101 . 17 GLY HA2 H 3.97 0.01 1 102 . 17 GLY HA3 H 3.97 0.01 1 103 . 18 ARG H H 8.30 0.01 1 104 . 18 ARG HA H 4.26 0.01 1 105 . 18 ARG HB2 H 1.80 0.01 2 106 . 18 ARG HB3 H 1.70 0.01 2 107 . 18 ARG HG2 H 1.57 0.01 1 108 . 18 ARG HG3 H 1.57 0.01 1 109 . 18 ARG HD2 H 3.15 0.01 1 110 . 18 ARG HD3 H 3.15 0.01 1 111 . 18 ARG HE H 7.23 0.01 1 112 . 19 ALA H H 8.43 0.01 1 113 . 19 ALA HA H 4.24 0.01 1 114 . 19 ALA HB H 1.25 0.01 1 115 . 20 PHE H H 8.26 0.01 1 116 . 20 PHE HA H 4.56 0.01 1 117 . 20 PHE HB2 H 2.99 0.01 1 118 . 20 PHE HB3 H 2.99 0.01 1 119 . 20 PHE HD1 H 7.29 0.01 1 120 . 20 PHE HD2 H 7.29 0.01 1 121 . 20 PHE HE1 H 7.12 0.01 1 122 . 20 PHE HE2 H 7.12 0.01 1 123 . 20 PHE HZ H 7.29 0.01 1 124 . 21 TYR H H 8.26 0.01 1 125 . 21 TYR HA H 4.68 0.01 1 126 . 21 TYR HB2 H 3.03 0.01 2 127 . 21 TYR HB3 H 2.89 0.01 2 128 . 21 TYR HD1 H 7.08 0.01 1 129 . 21 TYR HD2 H 7.08 0.01 1 130 . 21 TYR HE1 H 6.78 0.01 1 131 . 21 TYR HE2 H 6.78 0.01 1 132 . 22 THR H H 8.20 0.01 1 133 . 22 THR HA H 4.43 0.01 1 134 . 22 THR HB H 4.25 0.01 1 135 . 22 THR HG2 H 1.21 0.01 1 136 . 23 THR H H 8.35 0.01 1 137 . 23 THR HA H 4.29 0.01 1 138 . 23 THR HB H 4.24 0.01 1 139 . 23 THR HG2 H 1.25 0.01 1 140 . 24 GLY H H 8.64 0.01 1 141 . 24 GLY HA2 H 4.01 0.01 2 142 . 24 GLY HA3 H 3.92 0.01 2 143 . 25 GLU H H 8.23 0.01 1 144 . 25 GLU HA H 4.33 0.01 1 145 . 25 GLU HB2 H 2.03 0.01 1 146 . 25 GLU HB3 H 2.03 0.01 1 147 . 25 GLU HG2 H 2.43 0.01 1 148 . 25 GLU HG3 H 2.43 0.01 1 149 . 26 ILE H H 8.47 0.01 1 150 . 26 ILE HA H 4.15 0.01 1 151 . 26 ILE HB H 1.86 0.01 1 152 . 26 ILE HG12 H 1.50 0.01 2 153 . 26 ILE HG13 H 1.16 0.01 2 154 . 26 ILE HG2 H 0.87 0.02 1 155 . 26 ILE HD1 H 0.85 0.02 1 156 . 27 ILE H H 8.48 0.01 1 157 . 27 ILE HA H 4.10 0.01 1 158 . 27 ILE HB H 1.84 0.01 1 159 . 27 ILE HG12 H 1.50 0.01 2 160 . 27 ILE HG13 H 1.17 0.01 2 161 . 27 ILE HG2 H 0.91 0.01 1 162 . 27 ILE HD1 H 0.84 0.01 1 163 . 28 GLY H H 8.63 0.01 1 164 . 28 GLY HA2 H 3.95 0.01 2 165 . 28 GLY HA3 H 3.85 0.01 2 166 . 29 ASP H H 8.41 0.01 1 167 . 29 ASP HA H 4.73 0.01 1 168 . 29 ASP HB2 H 2.93 0.01 2 169 . 29 ASP HB3 H 2.84 0.01 2 170 . 30 ILE H H 8.28 0.01 1 171 . 30 ILE HA H 4.15 0.01 1 172 . 30 ILE HB H 1.92 0.01 1 173 . 30 ILE HG12 H 1.49 0.01 2 174 . 30 ILE HG13 H 1.21 0.01 2 175 . 30 ILE HG2 H 0.91 0.01 1 176 . 30 ILE HD1 H 0.87 0.01 1 177 . 31 ARG H H 8.56 0.01 1 178 . 31 ARG HA H 4.31 0.01 1 179 . 31 ARG HB2 H 1.84 0.01 2 180 . 31 ARG HB3 H 1.78 0.01 2 181 . 31 ARG HG2 H 1.67 0.01 2 182 . 31 ARG HG3 H 1.61 0.01 2 183 . 31 ARG HD2 H 3.20 0.01 1 184 . 31 ARG HD3 H 3.20 0.01 1 185 . 31 ARG HE H 7.31 0.01 1 186 . 32 GLN H H 8.44 0.01 1 187 . 32 GLN HA H 4.31 0.01 1 188 . 32 GLN HB2 H 2.10 0.01 2 189 . 32 GLN HB3 H 1.97 0.01 2 190 . 32 GLN HG2 H 2.37 0.01 1 191 . 32 GLN HG3 H 2.37 0.01 1 192 . 32 GLN HE21 H 7.68 0.01 1 193 . 32 GLN HE22 H 7.05 0.01 1 194 . 33 ALA H H 8.52 0.01 1 195 . 33 ALA HA H 4.27 0.01 1 196 . 33 ALA HB H 1.36 0.01 1 197 . 34 HIS H H 8.62 0.01 1 198 . 34 HIS HA H 4.75 0.01 1 199 . 34 HIS HB2 H 3.30 0.01 2 200 . 34 HIS HB3 H 3.27 0.01 2 201 . 34 HIS HD2 H 7.35 0.01 1 202 . 34 HIS HE1 H 8.63 0.01 1 203 . 35 CYS H H 8.66 0.01 1 204 . 35 CYS HA H 4.60 0.01 1 205 . 35 CYS HB2 H 3.34 0.01 2 206 . 35 CYS HB3 H 3.04 0.01 2 stop_ save_ save_shifts_TFE _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H magnitude COSY' '1H TOCSY' '1H NOESY' '1H ROESY' '1H CT-NOE spectra' stop_ loop_ _Sample_label $20%_TFE_sample stop_ _Sample_conditions_label $highT _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Consensus V3 loop' _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 CYS HA H 4.53 0.01 1 2 . 1 CYS HB2 H 3.41 0.01 2 3 . 1 CYS HB3 H 3.22 0.01 2 4 . 2 THR H H 9.03 0.01 1 5 . 2 THR HA H 4.50 0.01 1 6 . 2 THR HB H 4.21 0.01 1 7 . 2 THR HG2 H 1.29 0.01 1 8 . 3 ARG H H 8.55 0.01 1 9 . 3 ARG HA H 4.70 0.01 1 10 . 3 ARG HB2 H 1.92 0.01 2 11 . 3 ARG HB3 H 1.78 0.01 2 12 . 3 ARG HG2 H 1.74 0.01 1 13 . 3 ARG HG3 H 1.74 0.01 1 14 . 3 ARG HD2 H 3.27 0.01 1 15 . 3 ARG HD3 H 3.27 0.01 1 16 . 3 ARG HE H 7.35 0.01 1 17 . 4 PRO HA H 4.47 0.01 1 18 . 4 PRO HB2 H 2.31 0.01 2 19 . 4 PRO HB3 H 1.96 0.01 2 20 . 4 PRO HG2 H 2.09 0.02 2 21 . 4 PRO HG3 H 2.04 0.02 2 22 . 4 PRO HD2 H 3.85 0.01 2 23 . 4 PRO HD3 H 3.69 0.01 2 24 . 5 ASN H H 8.58 0.01 1 25 . 5 ASN HA H 4.77 0.01 1 26 . 5 ASN HB2 H 2.93 0.01 1 27 . 5 ASN HB3 H 2.93 0.01 1 28 . 5 ASN HD21 H 7.79 0.01 2 29 . 5 ASN HD22 H 7.03 0.01 2 30 . 6 ASN H H 8.64 0.01 1 31 . 6 ASN HA H 4.71 0.01 1 32 . 6 ASN HB2 H 2.87 0.01 1 33 . 6 ASN HB3 H 2.87 0.01 1 34 . 6 ASN HD21 H 7.75 0.01 2 35 . 6 ASN HD22 H 7.01 0.01 2 36 . 7 ASN H H 8.63 0.01 1 37 . 7 ASN HA H 4.78 0.01 1 38 . 7 ASN HB2 H 2.90 0.01 1 39 . 7 ASN HB3 H 2.90 0.01 1 40 . 7 ASN HD21 H 7.72 0.01 2 41 . 7 ASN HD22 H 7.00 0.01 2 42 . 8 THR H H 8.20 0.01 1 43 . 8 THR HA H 4.32 0.01 1 44 . 8 THR HB H 4.27 0.01 1 45 . 8 THR HG2 H 1.28 0.01 1 46 . 9 ARG H H 8.33 0.01 1 47 . 9 ARG HA H 4.28 0.01 1 48 . 9 ARG HB2 H 1.93 0.01 2 49 . 9 ARG HB3 H 1.88 0.01 2 50 . 9 ARG HG2 H 1.74 0.01 2 51 . 9 ARG HG3 H 1.68 0.01 2 52 . 9 ARG HD2 H 3.24 0.01 1 53 . 9 ARG HD3 H 3.24 0.01 1 54 . 9 ARG HE H 7.29 0.01 1 55 . 10 LYS H H 8.21 0.01 1 56 . 10 LYS HA H 4.35 0.01 1 57 . 10 LYS HB2 H 1.91 0.01 2 58 . 10 LYS HB3 H 1.85 0.01 2 59 . 10 LYS HG2 H 1.54 0.01 2 60 . 10 LYS HG3 H 1.48 0.01 2 61 . 10 LYS HD2 H 1.73 0.01 1 62 . 10 LYS HD3 H 1.73 0.01 1 63 . 10 LYS HE2 H 3.03 0.01 1 64 . 10 LYS HE3 H 3.03 0.01 1 65 . 10 LYS HZ H 7.70 0.01 1 66 . 11 SER H H 8.16 0.01 1 67 . 11 SER HA H 4.49 0.01 1 68 . 11 SER HB2 H 3.91 0.01 1 69 . 11 SER HB3 H 3.91 0.01 1 70 . 12 ILE H H 7.93 0.01 1 71 . 12 ILE HA H 4.18 0.01 1 72 . 12 ILE HB H 1.84 0.01 1 73 . 12 ILE HG12 H 1.45 0.01 2 74 . 12 ILE HG13 H 1.15 0.01 2 75 . 12 ILE HG2 H 0.86 0.01 1 76 . 12 ILE HD1 H 0.83 0.02 1 77 . 13 HIS H H 8.48 0.01 1 78 . 13 HIS HA H 4.78 0.01 1 79 . 13 HIS HB2 H 3.24 0.01 2 80 . 13 HIS HB3 H 3.12 0.01 2 81 . 13 HIS HD2 H 7.27 0.01 1 82 . 13 HIS HE1 H 8.59 0.01 1 83 . 14 ILE H H 8.22 0.01 1 84 . 14 ILE HA H 4.30 0.01 1 85 . 14 ILE HB H 1.87 0.01 1 86 . 14 ILE HG12 H 1.49 0.01 2 87 . 14 ILE HG13 H 1.17 0.01 2 88 . 14 ILE HG2 H 0.94 0.01 1 89 . 14 ILE HD1 H 0.88 0.02 1 90 . 15 GLY H H 8.19 0.01 1 91 . 15 GLY HA2 H 4.12 0.01 1 92 . 15 GLY HA3 H 4.12 0.01 1 93 . 16 PRO HA H 4.48 0.01 1 94 . 16 PRO HB2 H 2.29 0.01 2 95 . 16 PRO HB3 H 2.04 0.02 2 96 . 16 PRO HG2 H 2.06 0.01 1 97 . 16 PRO HG3 H 2.06 0.01 1 98 . 16 PRO HD2 H 3.71 0.01 2 99 . 16 PRO HD3 H 3.62 0.01 2 100 . 17 GLY H H 8.58 0.01 1 101 . 17 GLY HA2 H 4.08 0.01 2 102 . 17 GLY HA3 H 3.97 0.01 2 103 . 18 ARG H H 8.21 0.01 1 104 . 18 ARG HA H 4.29 0.01 1 105 . 18 ARG HB2 H 1.89 0.01 2 106 . 18 ARG HB3 H 1.83 0.01 2 107 . 18 ARG HG2 H 1.66 0.01 1 108 . 18 ARG HG3 H 1.66 0.01 1 109 . 18 ARG HD2 H 3.22 0.01 1 110 . 18 ARG HD3 H 3.22 0.01 1 111 . 18 ARG HE H 7.27 0.01 1 112 . 19 ALA H H 8.31 0.01 1 113 . 19 ALA HA H 4.29 0.01 1 114 . 19 ALA HB H 1.34 0.01 1 115 . 20 PHE H H 8.09 0.01 1 116 . 20 PHE HA H 4.51 0.01 1 117 . 20 PHE HB2 H 3.08 0.01 1 118 . 20 PHE HB3 H 3.08 0.01 1 119 . 20 PHE HD1 H 7.31 0.01 1 120 . 20 PHE HD2 H 7.31 0.01 1 121 . 20 PHE HE1 H 7.12 0.01 1 122 . 20 PHE HE2 H 7.12 0.01 1 123 . 20 PHE HZ H 7.31 0.01 1 124 . 21 TYR H H 7.95 0.01 1 125 . 21 TYR HA H 4.64 0.01 1 126 . 21 TYR HB2 H 3.13 0.01 2 127 . 21 TYR HB3 H 2.96 0.01 2 128 . 21 TYR HD1 H 7.12 0.01 1 129 . 21 TYR HD2 H 7.12 0.01 1 130 . 21 TYR HE1 H 6.84 0.01 1 131 . 21 TYR HE2 H 6.84 0.01 1 132 . 22 THR H H 8.12 0.01 1 133 . 22 THR HA H 4.40 0.01 1 134 . 22 THR HB H 4.46 0.01 1 135 . 22 THR HG2 H 1.32 0.01 1 136 . 23 THR H H 8.42 0.01 1 137 . 23 THR HA H 4.01 0.01 1 138 . 23 THR HB H 4.21 0.01 1 139 . 23 THR HG2 H 1.30 0.01 1 140 . 24 GLY H H 8.34 0.02 1 141 . 24 GLY HA2 H 3.89 0.01 2 142 . 24 GLY HA3 H 3.79 0.01 2 143 . 25 GLU H H 7.93 0.01 1 144 . 25 GLU HA H 4.15 0.01 1 145 . 25 GLU HB2 H 2.32 0.01 2 146 . 25 GLU HB3 H 2.18 0.01 2 147 . 25 GLU HG2 H 2.53 0.01 2 148 . 25 GLU HG3 H 2.42 0.01 2 149 . 26 ILE H H 8.05 0.01 1 150 . 26 ILE HA H 3.83 0.01 1 151 . 26 ILE HB H 2.03 0.01 1 152 . 26 ILE HG12 H 1.71 0.01 2 153 . 26 ILE HG13 H 1.14 0.01 2 154 . 26 ILE HG2 H 0.95 0.01 1 155 . 26 ILE HD1 H 0.83 0.01 1 156 . 27 ILE H H 8.43 0.01 1 157 . 27 ILE HA H 3.81 0.01 1 158 . 27 ILE HB H 1.91 0.01 1 159 . 27 ILE HG12 H 1.72 0.01 2 160 . 27 ILE HG13 H 1.24 0.01 2 161 . 27 ILE HG2 H 0.93 0.01 1 162 . 27 ILE HD1 H 0.85 0.01 1 163 . 28 GLY H H 8.16 0.02 1 164 . 28 GLY HA2 H 3.93 0.02 2 165 . 28 GLY HA3 H 3.83 0.02 2 166 . 29 ASP H H 8.16 0.01 1 167 . 29 ASP HA H 4.59 0.01 1 168 . 29 ASP HB2 H 3.20 0.01 2 169 . 29 ASP HB3 H 2.90 0.01 2 170 . 30 ILE H H 8.48 0.01 1 171 . 30 ILE HA H 3.83 0.01 1 172 . 30 ILE HB H 2.05 0.01 1 173 . 30 ILE HG12 H 1.85 0.01 2 174 . 30 ILE HG13 H 1.16 0.02 2 175 . 30 ILE HG2 H 0.95 0.01 1 176 . 30 ILE HD1 H 0.86 0.01 1 177 . 31 ARG H H 8.60 0.01 1 178 . 31 ARG HA H 4.15 0.01 1 179 . 31 ARG HB2 H 1.99 0.01 2 180 . 31 ARG HB3 H 1.96 0.02 2 181 . 31 ARG HG2 H 1.93 0.02 2 182 . 31 ARG HG3 H 1.69 0.01 2 183 . 31 ARG HD2 H 3.19 0.01 1 184 . 31 ARG HD3 H 3.19 0.01 1 185 . 31 ARG HE H 7.24 0.01 1 186 . 32 GLN H H 8.04 0.01 1 187 . 32 GLN HA H 4.30 0.01 1 188 . 32 GLN HB2 H 2.24 0.01 2 189 . 32 GLN HB3 H 2.21 0.01 2 190 . 32 GLN HG2 H 2.55 0.01 2 191 . 32 GLN HG3 H 2.48 0.01 2 192 . 32 GLN HE21 H 7.51 0.01 1 193 . 32 GLN HE22 H 6.91 0.01 1 194 . 33 ALA H H 7.96 0.01 1 195 . 33 ALA HA H 4.31 0.01 1 196 . 33 ALA HB H 1.49 0.01 1 197 . 34 HIS H H 8.20 0.01 1 198 . 34 HIS HA H 4.74 0.01 1 199 . 34 HIS HB2 H 3.46 0.01 2 200 . 34 HIS HB3 H 3.29 0.01 2 201 . 34 HIS HD2 H 7.43 0.01 1 202 . 34 HIS HE1 H 8.61 0.01 1 203 . 35 CYS H H 8.35 0.01 1 204 . 35 CYS HA H 4.64 0.01 1 205 . 35 CYS HB2 H 3.41 0.01 2 206 . 35 CYS HB3 H 3.17 0.01 2 stop_ save_