data_1037 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Determination of the Three-dimensional Structure of the Antennapedia Homeodomain from Drosophila in Solution by 1H Nuclear Magnetic Resonance Spectroscopy ; _BMRB_accession_number 1037 _BMRB_flat_file_name bmr1037.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Billeter Martin . . 2 Qian Yan-qiu . . 3 Otting Gottfried . . 4 Muller Martin . . 5 Gehring Walter . . 6 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 501 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-14 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1997-04-11 revision BMRB 'Corrections made to assigned chemical shift entries' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Billeter, Martin, Qian, Yan-qiu, Otting, Gottfried, Muller, Martin, Gehring, Walter, Wuthrich, Kurt, "Determination of the Three-dimensional Structure of the Antennapedia Homeodomain from Drosophila in Solution by 1H Nuclear Magnetic Resonance Spectroscopy," J. Mol. Biol. 214, 183-197 (1990). ; _Citation_title ; Determination of the Three-dimensional Structure of the Antennapedia Homeodomain from Drosophila in Solution by 1H Nuclear Magnetic Resonance Spectroscopy ; _Citation_status published _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 Billeter Martin . . 2 Qian Yan-qiu . . 3 Otting Gottfried . . 4 Muller Martin . . 5 Gehring Walter . . 6 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 214 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 183 _Page_last 197 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_antennepedia _Saveframe_category molecular_system _Mol_system_name antennepedia _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label antennepedia $antennepedia stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_antennepedia _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common antennepedia _Name_variant homeodomain _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; MRKRGRQTYTRYQTLELEKE FHFNRYLTRRRRIEIAHALC LTERQIKIWFQNRRMKWKKE NKTKGEPG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 LYS 4 ARG 5 GLY 6 ARG 7 GLN 8 THR 9 TYR 10 THR 11 ARG 12 TYR 13 GLN 14 THR 15 LEU 16 GLU 17 LEU 18 GLU 19 LYS 20 GLU 21 PHE 22 HIS 23 PHE 24 ASN 25 ARG 26 TYR 27 LEU 28 THR 29 ARG 30 ARG 31 ARG 32 ARG 33 ILE 34 GLU 35 ILE 36 ALA 37 HIS 38 ALA 39 LEU 40 CYS 41 LEU 42 THR 43 GLU 44 ARG 45 GLN 46 ILE 47 LYS 48 ILE 49 TRP 50 PHE 51 GLN 52 ASN 53 ARG 54 ARG 55 MET 56 LYS 57 TRP 58 LYS 59 LYS 60 GLU 61 ASN 62 LYS 63 THR 64 LYS 65 GLY 66 GLU 67 PRO 68 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 4104 "Antennapedia Homeodomain" 100.00 68 98.53 98.53 3.27e-39 PDB 1AHD "Determination Of The Nmr Solution Structure Of An Antennapedia Homeodomain-Dna Complex" 98.53 68 98.51 98.51 3.11e-38 PDB 1HOM "Determination Of The Three-Dimensional Structure Of The Antennapedia Homeodomain From Drosophila In Solution By 1h Nuclear Magn" 100.00 68 100.00 100.00 3.09e-40 PDB 1SAN "The Des(1-6)antennapedia Homeodomain: Comparison Of The Nmr Solution Structure And The Dna Binding Affinity With The Intact Ant" 89.71 62 98.36 98.36 2.99e-34 PDB 2HOA "Structure Determination Of The Antp(C39->s) Homeodomain From Nuclear Magnetic Resonance Data In Solution Using A Novel Strategy" 98.53 68 98.51 98.51 3.11e-38 PDB 9ANT "Antennapedia Homeodomain-Dna Complex" 88.24 62 98.33 98.33 1.91e-32 DBJ BAA04087 "Antennapedia homologue protein [Bombyx mori]" 98.53 259 100.00 100.00 2.06e-37 DBJ BAA86247 "HOXB6B [Oryzias latipes]" 60.29 59 97.56 100.00 8.48e-20 DBJ BAD95554 "Hoxb-7, partial [Gallus gallus]" 91.18 145 98.39 100.00 8.16e-35 DBJ BAD95559 "Hoxa-7, partial [Pelodiscus sinensis]" 73.53 180 98.00 100.00 9.95e-26 DBJ BAE44269 "hoxB6a [Oryzias latipes]" 88.24 274 98.33 100.00 7.07e-35 EMBL CAA27417 "antennapedia protein [Drosophila melanogaster]" 98.53 378 100.00 100.00 3.01e-37 EMBL CAA35171 "Hox 2.2 [Danio rerio]" 88.24 228 98.33 100.00 3.57e-33 EMBL CAA43307 "Antp [Drosophila subobscura]" 98.53 394 100.00 100.00 1.01e-36 EMBL CAA48319 "homeodomain protein [Danio rerio]" 88.24 228 98.33 100.00 3.57e-33 EMBL CAA84519 "Hox-7 homeodomain protein [Branchiostoma floridae]" 89.71 81 98.36 100.00 1.84e-34 GB AAA28373 "Antennepedia protein, partial [Drosophila melanogaster]" 98.53 74 98.51 98.51 2.02e-38 GB AAA28376 "Antennapedia differentiation protein [Drosophila melanogaster]" 98.53 378 100.00 100.00 3.01e-37 GB AAA28737 "homeobox protein [Drosophila virilis]" 98.53 82 100.00 100.00 1.87e-39 GB AAA68461 "putative, partial [Junonia coenia]" 85.29 58 100.00 100.00 7.27e-32 GB AAA70214 "antennapedia protein [Drosophila melanogaster]" 98.53 378 100.00 100.00 3.01e-37 PIR F45186 "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" 54.41 37 97.30 100.00 3.11e-16 PIR H45186 "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" 75.00 62 100.00 100.00 9.81e-27 PIR I45186 "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" 75.00 62 98.04 100.00 3.12e-26 PIR I65241 "homeotic protein Hox-A - rat (fragment)" 61.76 42 97.62 100.00 1.08e-19 PRF 1205216A "gene Antp" 98.53 378 100.00 100.00 3.01e-37 PRF 2016458F "Hox-7 gene" 89.71 81 98.36 100.00 1.84e-34 REF NP_001034505 "prothoraxless [Tribolium castaneum]" 98.53 325 98.51 98.51 2.82e-34 REF NP_001037319 "antennapedia homologue protein [Bombyx mori]" 98.53 259 100.00 100.00 2.06e-37 REF NP_001133047 "homeobox protein HoxB6aa [Salmo salar]" 88.24 227 98.33 100.00 2.35e-33 REF NP_001133052 "homeobox protein HoxB6ab [Salmo salar]" 88.24 227 98.33 100.00 2.20e-33 REF NP_001134382 "Homeobox protein Hox-B7a [Salmo salar]" 94.12 223 98.44 98.44 4.72e-36 SP P02833 "RecName: Full=Homeotic protein antennapedia" 98.53 378 100.00 100.00 3.01e-37 SP P15861 "RecName: Full=Homeobox protein Hox-B6a; Short=Hox-B6; AltName: Full=Homeobox protein Zf-22" 88.24 228 98.33 100.00 3.57e-33 SP Q1KKY0 "RecName: Full=Homeobox protein Hox-B6a" 88.24 274 98.33 100.00 1.32e-34 SP Q24645 "RecName: Full=Homeotic protein antennapedia" 98.53 394 100.00 100.00 1.01e-36 SP Q90VZ9 "RecName: Full=Homeobox protein Hox-A7" 89.71 219 98.36 100.00 2.02e-32 TPG DAA30525 "TPA: homeobox A7-like [Bos taurus]" 89.71 238 98.36 100.00 3.67e-36 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $antennepedia fly 7244 Eukaryota Metazoa Drosphila virilis 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 $antennepedia 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.3 . na temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label TSP H . . ppm 0 . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name antennepedia _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 MET HA H 4.11 . 1 2 . 1 MET HB2 H 2.1 . 1 3 . 1 MET HB3 H 2.1 . 1 4 . 1 MET HG2 H 2.55 . 1 5 . 1 MET HG3 H 2.55 . 1 6 . 1 MET HE H 2.13 . 1 7 . 2 ARG H H 8.75 . 1 8 . 2 ARG HA H 4.33 . 1 9 . 2 ARG HB2 H 1.75 . 1 10 . 2 ARG HB3 H 1.75 . 1 11 . 2 ARG HG2 H 1.58 . 1 12 . 2 ARG HG3 H 1.58 . 1 13 . 2 ARG HD2 H 3.14 . 1 14 . 2 ARG HD3 H 3.14 . 1 15 . 2 ARG HE H 7.18 . 1 16 . 3 LYS H H 8.55 . 1 17 . 3 LYS HA H 4.24 . 1 18 . 3 LYS HB2 H 1.77 . 2 19 . 3 LYS HB3 H 1.7 . 2 20 . 3 LYS HG2 H 1.41 . 2 21 . 3 LYS HG3 H 1.35 . 2 22 . 3 LYS HD2 H 1.57 . 1 23 . 3 LYS HD3 H 1.57 . 1 24 . 3 LYS HE2 H 2.94 . 1 25 . 3 LYS HE3 H 2.94 . 1 26 . 3 LYS HZ H 7.45 . 1 27 . 4 ARG H H 8.49 . 1 28 . 4 ARG HA H 4.29 . 1 29 . 4 ARG HB2 H 1.73 . 2 30 . 4 ARG HB3 H 1.81 . 2 31 . 4 ARG HG2 H 1.6 . 1 32 . 4 ARG HG3 H 1.6 . 1 33 . 4 ARG HD2 H 3.14 . 1 34 . 4 ARG HD3 H 3.14 . 1 35 . 4 ARG HE H 7.18 . 1 36 . 5 GLY H H 8.45 . 1 37 . 5 GLY HA2 H 3.98 . 2 38 . 5 GLY HA3 H 3.86 . 2 39 . 6 ARG H H 8.28 . 1 40 . 6 ARG HA H 4.28 . 1 41 . 6 ARG HB2 H 1.69 . 2 42 . 6 ARG HB3 H 1.79 . 2 43 . 6 ARG HG2 H 1.56 . 2 44 . 6 ARG HG3 H 1.51 . 2 45 . 6 ARG HD2 H 3.12 . 1 46 . 6 ARG HD3 H 3.12 . 1 47 . 6 ARG HE H 7.15 . 1 48 . 7 GLN H H 8.55 . 1 49 . 7 GLN HA H 4.31 . 1 50 . 7 GLN HB2 H 2.02 . 2 51 . 7 GLN HB3 H 1.95 . 2 52 . 7 GLN HG2 H 2.29 . 1 53 . 7 GLN HG3 H 2.21 . 1 54 . 7 GLN HE21 H 7.49 . 2 55 . 7 GLN HE22 H 6.81 . 2 56 . 8 THR H H 8.15 . 1 57 . 8 THR HA H 4.17 . 1 58 . 8 THR HB H 3.97 . 1 59 . 8 THR HG2 H .96 . 1 60 . 9 TYR H H 8.15 . 1 61 . 9 TYR HA H 4.89 . 1 62 . 9 TYR HB2 H 2.66 . 1 63 . 9 TYR HB3 H 3.04 . 1 64 . 9 TYR HD1 H 6.98 . 1 65 . 9 TYR HD2 H 6.98 . 1 66 . 9 TYR HE1 H 6.68 . 1 67 . 9 TYR HE2 H 6.68 . 1 68 . 10 THR H H 9.14 . 1 69 . 10 THR HA H 4.4 . 1 70 . 10 THR HB H 4.8 . 1 71 . 10 THR HG2 H 1.32 . 1 72 . 11 ARG H H 9.06 . 1 73 . 11 ARG HA H 4.05 . 1 74 . 11 ARG HB2 H 1.94 . 1 75 . 11 ARG HB3 H 1.86 . 1 76 . 11 ARG HG2 H 1.72 . 2 77 . 11 ARG HG3 H 1.63 . 2 78 . 11 ARG HD2 H 3.2 . 1 79 . 11 ARG HD3 H 3.2 . 1 80 . 11 ARG HE H 7.28 . 1 81 . 12 TYR H H 8.41 . 1 82 . 12 TYR HA H 4.12 . 1 83 . 12 TYR HB2 H 3.2 . 1 84 . 12 TYR HB3 H 2.72 . 1 85 . 12 TYR HD1 H 7.02 . 1 86 . 12 TYR HD2 H 7.02 . 1 87 . 12 TYR HE1 H 6.7 . 1 88 . 12 TYR HE2 H 6.7 . 1 89 . 13 GLN H H 7.73 . 1 90 . 13 GLN HA H 3.49 . 1 91 . 13 GLN HB2 H 1.53 . 1 92 . 13 GLN HB3 H 2.57 . 1 93 . 13 GLN HG2 H 2.35 . 2 94 . 13 GLN HG3 H 2.69 . 2 95 . 13 GLN HE21 H 7.63 . 2 96 . 13 GLN HE22 H 6.78 . 2 97 . 14 THR H H 8.46 . 1 98 . 14 THR HA H 3.34 . 1 99 . 14 THR HB H 4.24 . 1 100 . 14 THR HG2 H 1.26 . 1 101 . 15 LEU H H 8.15 . 1 102 . 15 LEU HA H 3.89 . 1 103 . 15 LEU HB2 H 1.47 . 2 104 . 15 LEU HB3 H 1.78 . 2 105 . 15 LEU HG H 1.69 . 1 106 . 15 LEU HD1 H .82 . 1 107 . 15 LEU HD2 H .82 . 1 108 . 16 GLU H H 7.74 . 1 109 . 16 GLU HA H 3.82 . 1 110 . 16 GLU HB2 H 1.81 . 2 111 . 16 GLU HB3 H 1.68 . 2 112 . 17 LEU H H 8.18 . 1 113 . 17 LEU HA H 3.46 . 1 114 . 17 LEU HB2 H .43 . 1 115 . 17 LEU HB3 H -1.21 . 1 116 . 17 LEU HG H 1.03 . 1 117 . 17 LEU HD1 H .37 . 1 118 . 17 LEU HD2 H -.69 . 1 119 . 18 GLU H H 8.18 . 1 120 . 18 GLU HA H 4.19 . 1 121 . 18 GLU HB2 H 2.11 . 1 122 . 18 GLU HB3 H 1.97 . 1 123 . 18 GLU HG2 H 2.32 . 1 124 . 18 GLU HG3 H 2.51 . 1 125 . 19 LYS H H 7.77 . 1 126 . 19 LYS HA H 3.95 . 1 127 . 19 LYS HB2 H 1.86 . 1 128 . 19 LYS HB3 H 1.86 . 1 129 . 19 LYS HG2 H 1.52 . 2 130 . 19 LYS HG3 H 1.31 . 2 131 . 19 LYS HD2 H 1.62 . 1 132 . 19 LYS HD3 H 1.62 . 1 133 . 19 LYS HE2 H 2.87 . 1 134 . 19 LYS HE3 H 2.87 . 1 135 . 20 GLU H H 7.95 . 1 136 . 20 GLU HA H 4.18 . 1 137 . 20 GLU HB2 H 2.3 . 1 138 . 20 GLU HB3 H 2.3 . 1 139 . 20 GLU HG2 H 2.49 . 1 140 . 20 GLU HG3 H 2.49 . 1 141 . 21 PHE H H 8.91 . 1 142 . 21 PHE HA H 4.39 . 1 143 . 21 PHE HB2 H 2.98 . 1 144 . 21 PHE HB3 H 3.07 . 1 145 . 21 PHE HD1 H 6.86 . 1 146 . 21 PHE HD2 H 6.86 . 1 147 . 21 PHE HE1 H 6.96 . 1 148 . 21 PHE HE2 H 6.96 . 1 149 . 21 PHE HZ H 6.53 . 1 150 . 22 HIS H H 7.81 . 1 151 . 22 HIS HA H 4.06 . 1 152 . 22 HIS HB2 H 3.22 . 1 153 . 22 HIS HB3 H 3.22 . 1 154 . 22 HIS HD2 H 6.95 . 1 155 . 22 HIS HE1 H 8.62 . 1 156 . 23 PHE H H 7.56 . 1 157 . 23 PHE HA H 4.38 . 1 158 . 23 PHE HB2 H 3.13 . 1 159 . 23 PHE HB3 H 3.2 . 1 160 . 23 PHE HD1 H 7.3 . 1 161 . 23 PHE HD2 H 7.3 . 1 162 . 23 PHE HE1 H 7.3 . 1 163 . 23 PHE HE2 H 7.3 . 1 164 . 23 PHE HZ H 7.3 . 1 165 . 24 ASN H H 8.27 . 1 166 . 24 ASN HA H 4.49 . 1 167 . 24 ASN HB2 H 2.71 . 1 168 . 24 ASN HB3 H 2.71 . 1 169 . 24 ASN HD21 H 7.14 . 2 170 . 24 ASN HD22 H 7.9 . 2 171 . 25 ARG H H 8.15 . 1 172 . 25 ARG HA H 3.57 . 1 173 . 25 ARG HB2 H .89 . 1 174 . 25 ARG HB3 H 1.19 . 1 175 . 25 ARG HG2 H .86 . 2 176 . 25 ARG HG3 H .07 . 2 177 . 25 ARG HD2 H 1.81 . 1 178 . 25 ARG HD3 H 1.81 . 1 179 . 25 ARG HE H 6.51 . 1 180 . 25 ARG HH11 H 6.26 . 1 181 . 25 ARG HH12 H 6.26 . 1 182 . 25 ARG HH21 H 6.26 . 1 183 . 25 ARG HH22 H 6.26 . 1 184 . 26 TYR H H 7.65 . 1 185 . 26 TYR HA H 4.5 . 1 186 . 26 TYR HB2 H 2.59 . 1 187 . 26 TYR HB3 H 2.85 . 1 188 . 26 TYR HD1 H 7.04 . 1 189 . 26 TYR HD2 H 7.04 . 1 190 . 26 TYR HE1 H 6.71 . 1 191 . 26 TYR HE2 H 6.71 . 1 192 . 27 LEU H H 8.36 . 1 193 . 27 LEU HA H 4.5 . 1 194 . 27 LEU HB2 H 1.44 . 1 195 . 27 LEU HB3 H 1.15 . 1 196 . 27 LEU HG H .6 . 1 197 . 27 LEU HD1 H .14 . 1 198 . 27 LEU HD2 H .37 . 1 199 . 28 THR H H 7.49 . 1 200 . 28 THR HA H 4.34 . 1 201 . 28 THR HB H 4.6 . 1 202 . 28 THR HG2 H 1.28 . 1 203 . 29 ARG H H 8.85 . 1 204 . 29 ARG HA H 3.76 . 1 205 . 29 ARG HB2 H 1.84 . 1 206 . 29 ARG HB3 H 1.77 . 1 207 . 29 ARG HG2 H 1.61 . 2 208 . 29 ARG HG3 H 1.57 . 2 209 . 29 ARG HD2 H 3.14 . 1 210 . 29 ARG HD3 H 3.14 . 1 211 . 29 ARG HE H 7.65 . 1 212 . 30 ARG H H 8.3 . 1 213 . 30 ARG HA H 3.85 . 1 214 . 30 ARG HB2 H 1.62 . 2 215 . 30 ARG HB3 H 1.82 . 2 216 . 30 ARG HG2 H 1.49 . 1 217 . 30 ARG HG3 H 1.49 . 1 218 . 30 ARG HD2 H 3.12 . 1 219 . 30 ARG HD3 H 3.12 . 1 220 . 30 ARG HE H 7.23 . 1 221 . 31 ARG H H 7.63 . 1 222 . 31 ARG HA H 4.05 . 1 223 . 31 ARG HB2 H 1.85 . 2 224 . 31 ARG HB3 H 1.94 . 2 225 . 31 ARG HG2 H 1.72 . 2 226 . 31 ARG HG3 H 1.55 . 2 227 . 31 ARG HD2 H 3.03 . 2 228 . 31 ARG HD3 H 3.42 . 2 229 . 31 ARG HE H 7.72 . 1 230 . 32 ARG H H 8.44 . 1 231 . 32 ARG HA H 3.64 . 1 232 . 32 ARG HB2 H 1.98 . 1 233 . 32 ARG HB3 H 1.77 . 1 234 . 32 ARG HG2 H 1.53 . 2 235 . 32 ARG HG3 H 1.39 . 2 236 . 32 ARG HD2 H 3.25 . 2 237 . 32 ARG HD3 H 3.44 . 2 238 . 32 ARG HE H 8.01 . 1 239 . 33 ILE H H 7.92 . 1 240 . 33 ILE HA H 3.44 . 1 241 . 33 ILE HB H 1.78 . 1 242 . 33 ILE HG12 H .96 . 2 243 . 33 ILE HG13 H 1.66 . 2 244 . 33 ILE HG2 H .75 . 1 245 . 33 ILE HD1 H .75 . 1 246 . 34 GLU H H 7.69 . 1 247 . 34 GLU HA H 4.00 . 1 248 . 34 GLU HB2 H 2.26 . 2 249 . 34 GLU HB3 H 2.04 . 2 250 . 34 GLU HG2 H 2.53 . 1 251 . 34 GLU HG3 H 2.27 . 1 252 . 35 ILE H H 8.61 . 1 253 . 35 ILE HA H 3.77 . 1 254 . 35 ILE HB H 1.7 . 1 255 . 35 ILE HG12 H 1.66 . 1 256 . 35 ILE HG13 H 1.00 . 1 257 . 35 ILE HG2 H .8 . 1 258 . 35 ILE HD1 H .66 . 1 259 . 36 ALA H H 8.29 . 1 260 . 36 ALA HA H 3.68 . 1 261 . 36 ALA HB H 1.4 . 1 262 . 37 HIS H H 7.99 . 1 263 . 37 HIS HA H 4.44 . 1 264 . 37 HIS HB2 H 3.3 . 1 265 . 37 HIS HB3 H 3.3 . 1 266 . 37 HIS HD2 H 7.36 . 1 267 . 37 HIS HE1 H 8.56 . 1 268 . 38 ALA H H 8.2 . 1 269 . 38 ALA HA H 4.1 . 1 270 . 38 ALA HB H 1.51 . 1 271 . 39 LEU H H 8.3 . 1 272 . 39 LEU HA H 4.48 . 1 273 . 39 LEU HB2 H 1.46 . 2 274 . 39 LEU HB3 H 1.64 . 2 275 . 39 LEU HG H 1.89 . 1 276 . 39 LEU HD1 H .68 . 1 277 . 39 LEU HD2 H .62 . 1 278 . 40 CYS H H 7.92 . 1 279 . 40 CYS HA H 4.04 . 1 280 . 40 CYS HB2 H 3.16 . 2 281 . 40 CYS HB3 H 3.08 . 2 282 . 41 LEU H H 8.19 . 1 283 . 41 LEU HA H 4.89 . 1 284 . 41 LEU HB2 H 1.26 . 1 285 . 41 LEU HB3 H 1.57 . 1 286 . 41 LEU HG H 1.52 . 1 287 . 41 LEU HD1 H .86 . 1 288 . 41 LEU HD2 H .61 . 1 289 . 42 THR H H 8.77 . 1 290 . 42 THR HA H 4.54 . 1 291 . 42 THR HB H 4.72 . 1 292 . 42 THR HG2 H 1.27 . 1 293 . 43 GLU H H 9.08 . 1 294 . 43 GLU HA H 3.62 . 1 295 . 43 GLU HB2 H 1.99 . 1 296 . 43 GLU HB3 H 1.99 . 1 297 . 43 GLU HG2 H 2.28 . 1 298 . 43 GLU HG3 H 2.28 . 1 299 . 44 ARG H H 8.31 . 1 300 . 44 ARG HA H 3.96 . 1 301 . 44 ARG HB2 H 1.75 . 2 302 . 44 ARG HB3 H 1.89 . 2 303 . 44 ARG HG2 H 1.61 . 1 304 . 44 ARG HG3 H 1.61 . 1 305 . 44 ARG HD2 H 3.18 . 1 306 . 44 ARG HD3 H 3.18 . 1 307 . 44 ARG HE H 7.3 . 1 308 . 45 GLN H H 7.95 . 1 309 . 45 GLN HA H 4.00 . 1 310 . 45 GLN HB2 H 2.58 . 2 311 . 45 GLN HB3 H 2.41 . 2 312 . 45 GLN HG2 H 2.01 . 2 313 . 45 GLN HG3 H 2.53 . 2 314 . 45 GLN HE21 H 6.84 . 2 315 . 45 GLN HE22 H 7.4 . 2 316 . 46 ILE H H 7.95 . 1 317 . 46 ILE HA H 3.85 . 1 318 . 46 ILE HB H 2.11 . 1 319 . 46 ILE HG12 H 1.53 . 1 320 . 46 ILE HG13 H 1.43 . 1 321 . 46 ILE HG2 H .92 . 1 322 . 46 ILE HD1 H .67 . 1 323 . 47 LYS H H 8.49 . 1 324 . 47 LYS HA H 3.96 . 1 325 . 47 LYS HB2 H 1.88 . 1 326 . 47 LYS HB3 H 2.08 . 1 327 . 47 LYS HG2 H 1.62 . 2 328 . 47 LYS HG3 H 1.38 . 2 329 . 47 LYS HD2 H 1.68 . 1 330 . 47 LYS HD3 H 1.68 . 1 331 . 47 LYS HE2 H 2.78 . 1 332 . 47 LYS HE3 H 2.78 . 1 333 . 47 LYS HZ H 7.48 . 1 334 . 48 ILE H H 8.53 . 1 335 . 48 ILE HA H 3.79 . 1 336 . 48 ILE HB H 1.9 . 1 337 . 48 ILE HG12 H 1.27 . 2 338 . 48 ILE HG13 H 1.69 . 2 339 . 48 ILE HG2 H .96 . 1 340 . 48 ILE HD1 H .82 . 1 341 . 49 TRP H H 8.12 . 1 342 . 49 TRP HA H 3.88 . 1 343 . 49 TRP HB2 H 3.24 . 1 344 . 49 TRP HB3 H 3.42 . 1 345 . 49 TRP HD1 H 6.08 . 1 346 . 49 TRP HE1 H 9.93 . 1 347 . 49 TRP HE3 H 6.74 . 1 348 . 49 TRP HZ2 H 7.13 . 1 349 . 49 TRP HZ3 H 5.63 . 1 350 . 49 TRP HH2 H 6.35 . 1 351 . 50 PHE H H 9.01 . 1 352 . 50 PHE HA H 3.79 . 1 353 . 50 PHE HB2 H 3.49 . 1 354 . 50 PHE HB3 H 3.21 . 1 355 . 50 PHE HD1 H 7.68 . 1 356 . 50 PHE HD2 H 7.68 . 1 357 . 50 PHE HE1 H 7.45 . 1 358 . 50 PHE HE2 H 7.45 . 1 359 . 50 PHE HZ H 7.13 . 1 360 . 51 GLN H H 8.23 . 1 361 . 51 GLN HA H 3.96 . 1 362 . 51 GLN HB2 H 2.25 . 1 363 . 51 GLN HB3 H 2.12 . 1 364 . 51 GLN HG2 H 2.43 . 2 365 . 51 GLN HG3 H 2.5 . 2 366 . 51 GLN HE21 H 6.89 . 2 367 . 51 GLN HE22 H 7.54 . 2 368 . 52 ASN H H 8.29 . 1 369 . 52 ASN HA H 4.31 . 1 370 . 52 ASN HB2 H 2.41 . 2 371 . 52 ASN HB3 H 2.6 . 2 372 . 52 ASN HD21 H 6.89 . 2 373 . 52 ASN HD22 H 7.4 . 2 374 . 53 ARG H H 8.31 . 1 375 . 53 ARG HA H 3.5 . 1 376 . 53 ARG HB2 H -.38 . 1 377 . 53 ARG HB3 H .65 . 1 378 . 53 ARG HG2 H -.64 . 1 379 . 53 ARG HG3 H -.22 . 1 380 . 53 ARG HD2 H 1.95 . 2 381 . 53 ARG HD3 H 2.36 . 2 382 . 53 ARG HE H 9.46 . 1 383 . 53 ARG HH11 H 7.07 . 1 384 . 53 ARG HH12 H 7.07 . 1 385 . 53 ARG HH21 H 7.07 . 1 386 . 53 ARG HH22 H 7.07 . 1 387 . 54 ARG H H 8.31 . 1 388 . 54 ARG HA H 4.18 . 1 389 . 54 ARG HB2 H 1.87 . 2 390 . 54 ARG HB3 H 2.2 . 2 391 . 54 ARG HG2 H 2.25 . 1 392 . 54 ARG HG3 H 1.33 . 1 393 . 54 ARG HD2 H 2.53 . 2 394 . 54 ARG HD3 H 2.82 . 2 395 . 54 ARG HE H 7.6 . 1 396 . 55 MET H H 7.51 . 1 397 . 55 MET HA H 4.25 . 1 398 . 55 MET HB2 H 2.14 . 1 399 . 55 MET HB3 H 2.19 . 1 400 . 55 MET HG2 H 2.74 . 1 401 . 55 MET HG3 H 2.61 . 1 402 . 55 MET HE H 2.13 . 1 403 . 56 LYS H H 7.49 . 1 404 . 56 LYS HA H 3.96 . 1 405 . 56 LYS HB2 H 1.68 . 1 406 . 56 LYS HB3 H 1.68 . 1 407 . 56 LYS HG2 H 1.35 . 2 408 . 56 LYS HG3 H 1.14 . 2 409 . 56 LYS HD2 H 1.44 . 1 410 . 56 LYS HD3 H 1.44 . 1 411 . 56 LYS HE2 H 2.78 . 1 412 . 56 LYS HE3 H 2.78 . 1 413 . 56 LYS HZ H 7.46 . 1 414 . 57 TRP H H 8.13 . 1 415 . 57 TRP HA H 4.44 . 1 416 . 57 TRP HB2 H 3.28 . 1 417 . 57 TRP HB3 H 3.64 . 1 418 . 57 TRP HD1 H 7.36 . 1 419 . 57 TRP HE1 H 10.22 . 1 420 . 57 TRP HE3 H 7.56 . 1 421 . 57 TRP HZ2 H 7.38 . 1 422 . 57 TRP HZ3 H 7.09 . 1 423 . 57 TRP HH2 H 7.16 . 1 424 . 58 LYS H H 8.24 . 1 425 . 58 LYS HA H 3.74 . 1 426 . 58 LYS HB2 H 1.89 . 1 427 . 58 LYS HB3 H 1.89 . 1 428 . 58 LYS HG2 H 1.41 . 1 429 . 58 LYS HG3 H 1.41 . 1 430 . 58 LYS HD2 H 1.68 . 1 431 . 58 LYS HD3 H 1.59 . 1 432 . 58 LYS HE2 H 2.95 . 1 433 . 58 LYS HE3 H 2.95 . 1 434 . 58 LYS HZ H 7.44 . 1 435 . 59 LYS H H 7.61 . 1 436 . 59 LYS HA H 4.01 . 1 437 . 59 LYS HB2 H 1.83 . 1 438 . 59 LYS HB3 H 1.83 . 1 439 . 59 LYS HG2 H 1.47 . 2 440 . 59 LYS HG3 H 1.35 . 2 441 . 59 LYS HD2 H 1.6 . 1 442 . 59 LYS HD3 H 1.6 . 1 443 . 59 LYS HE2 H 2.9 . 1 444 . 59 LYS HE3 H 2.9 . 1 445 . 59 LYS HZ H 7.52 . 1 446 . 60 GLU H H 7.9 . 1 447 . 60 GLU HA H 4.08 . 1 448 . 60 GLU HB2 H 1.88 . 1 449 . 60 GLU HB3 H 1.88 . 1 450 . 60 GLU HG2 H 2.2 . 2 451 . 60 GLU HG3 H 2.36 . 2 452 . 61 ASN H H 7.8 . 1 453 . 61 ASN HA H 4.46 . 1 454 . 61 ASN HB2 H 2 . 2 455 . 61 ASN HB3 H 2.32 . 2 456 . 61 ASN HD21 H 6.36 . 2 457 . 61 ASN HD22 H 6.96 . 2 458 . 62 LYS H H 7.94 . 1 459 . 62 LYS HA H 4.23 . 1 460 . 62 LYS HB2 H 1.73 . 1 461 . 62 LYS HB3 H 1.8 . 1 462 . 62 LYS HG2 H 1.35 . 1 463 . 62 LYS HG3 H 1.35 . 1 464 . 62 LYS HD2 H 1.59 . 1 465 . 62 LYS HD3 H 1.59 . 1 466 . 62 LYS HE2 H 2.89 . 1 467 . 62 LYS HE3 H 2.89 . 1 468 . 62 LYS HZ H 7.55 . 1 469 . 63 THR H H 8.07 . 1 470 . 63 THR HA H 4.24 . 1 471 . 63 THR HB H 4.16 . 1 472 . 63 THR HG2 H 1.14 . 1 473 . 64 LYS H H 8.27 . 1 474 . 64 LYS HA H 4.24 . 1 475 . 64 LYS HB2 H 1.74 . 2 476 . 64 LYS HB3 H 1.81 . 2 477 . 64 LYS HG2 H 1.42 . 2 478 . 64 LYS HG3 H 1.38 . 2 479 . 64 LYS HD2 H 1.55 . 1 480 . 64 LYS HD3 H 1.55 . 1 481 . 64 LYS HE2 H 3.14 . 1 482 . 64 LYS HE3 H 3.14 . 1 483 . 65 GLY H H 8.37 . 1 484 . 65 GLY HA2 H 3.89 . 1 485 . 65 GLY HA3 H 3.89 . 1 486 . 66 GLU H H 8.08 . 1 487 . 66 GLU HA H 4.61 . 1 488 . 66 GLU HB2 H 1.85 . 1 489 . 66 GLU HB3 H 2.05 . 1 490 . 66 GLU HG2 H 2.33 . 1 491 . 66 GLU HG3 H 2.33 . 1 492 . 67 PRO HA H 4.38 . 1 493 . 67 PRO HB2 H 1.91 . 2 494 . 67 PRO HB3 H 2.21 . 2 495 . 67 PRO HG2 H 1.93 . 2 496 . 67 PRO HG3 H 1.99 . 2 497 . 67 PRO HD2 H 3.66 . 2 498 . 67 PRO HD3 H 3.75 . 2 499 . 68 GLY H H 8.05 . 1 500 . 68 GLY HA2 H 3.73 . 1 501 . 68 GLY HA3 H 3.73 . 1 stop_ save_