data_6527 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments for km23 dimer ; _BMRB_accession_number 6527 _BMRB_flat_file_name bmr6527.str _Entry_type original _Submission_date 2005-03-01 _Accession_date 2005-03-01 _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 Ilangovan Udayar . . 2 Ding Wei . . 3 Groppe Jay C. . 4 Trbovich James A. . 5 Zuniga Jorge . . 6 Demeler Borries . . 7 Mulder Kathleen . . 8 Hinck Andrew P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 576 "13C chemical shifts" 442 "15N chemical shifts" 100 "coupling constants" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-11-01 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and Dynamics of the Homodimeric Dynein Light Chain km23.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16083906 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ilangovan Udayar . . 2 Ding Wei . . 3 Zhong Yan . . 4 Wilson Christina L. . 5 Groppe Jay C. . 6 Trbovich James T. . 7 Zuniga Jorge . . 8 Demeler Borries . . 9 Tang Qian . . 10 Gao Guofeng . . 11 Mulder Kathleen M. . 12 Hinck Andrew P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 352 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 338 _Page_last 354 _Year 2005 _Details . loop_ _Keyword NMR Relaxation 'Km23 structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Km23 homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Km23 homodimer unit one' $Homedimeric_LC7_Dynein_Light_Chain_Km23 'Km23 homodimer unit two' $Homedimeric_LC7_Dynein_Light_Chain_Km23 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'Km23 homodimer unit one' 1 'Km23 homodimer unit two' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Homedimeric_LC7_Dynein_Light_Chain_Km23 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Homedimeric Km23' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MAEVEETLKRLQSQKGVQGI IVVNTEGIPIKSTMDNPTTT QYASLMHSFILKARSTVRDI DPQNDLTFLRIRSKKNEIMV APDKDYFLIVIQNPTE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 VAL 5 GLU 6 GLU 7 THR 8 LEU 9 LYS 10 ARG 11 LEU 12 GLN 13 SER 14 GLN 15 LYS 16 GLY 17 VAL 18 GLN 19 GLY 20 ILE 21 ILE 22 VAL 23 VAL 24 ASN 25 THR 26 GLU 27 GLY 28 ILE 29 PRO 30 ILE 31 LYS 32 SER 33 THR 34 MET 35 ASP 36 ASN 37 PRO 38 THR 39 THR 40 THR 41 GLN 42 TYR 43 ALA 44 SER 45 LEU 46 MET 47 HIS 48 SER 49 PHE 50 ILE 51 LEU 52 LYS 53 ALA 54 ARG 55 SER 56 THR 57 VAL 58 ARG 59 ASP 60 ILE 61 ASP 62 PRO 63 GLN 64 ASN 65 ASP 66 LEU 67 THR 68 PHE 69 LEU 70 ARG 71 ILE 72 ARG 73 SER 74 LYS 75 LYS 76 ASN 77 GLU 78 ILE 79 MET 80 VAL 81 ALA 82 PRO 83 ASP 84 LYS 85 ASP 86 TYR 87 PHE 88 LEU 89 ILE 90 VAL 91 ILE 92 GLN 93 ASN 94 PRO 95 THR 96 GLU 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 15142 Dynein_light_chain_2A,_cytoplasmic 100.00 101 100.00 100.00 2.23e-62 BMRB 6210 hr2106_monomer 100.00 96 100.00 100.00 1.14e-62 PDB 1Z09 "Solution Structure Of Km23" 100.00 96 100.00 100.00 1.14e-62 PDB 2B95 "Solution Nmr Structure Of Protein Dynein Light Chain 2a, Cytoplasmic; Northeast Structural Genomics Consortium Target Hr2106" 100.00 106 100.00 100.00 5.84e-63 PDB 2E8J "Solution Structure Of Dynein Light Chain 2a" 100.00 101 100.00 100.00 2.23e-62 PDB 2HZ5 "Crystal Structure Of Human Dynein Light Chain Dnlc2a" 100.00 106 100.00 100.00 7.51e-63 DBJ BAG57523 "unnamed protein product [Homo sapiens]" 87.50 121 98.81 98.81 6.98e-52 GB AAF29126 "HSPC162 [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 GB AAF86646 "bithoraxoid-like protein [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 GB AAH02481 "Dynein, light chain, roadblock-type 1 [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 GB AAK18712 "dynein-associated protein HKM23 [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 GB AAK95342 "BITH [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 REF NP_001177109 "dynein light chain roadblock-type 1 [Sus scrofa]" 100.00 96 97.92 100.00 2.09e-61 REF NP_001268656 "dynein light chain roadblock-type 1 isoform b [Homo sapiens]" 65.63 63 100.00 100.00 1.31e-37 REF NP_001268657 "dynein light chain roadblock-type 1 isoform b [Homo sapiens]" 65.63 63 100.00 100.00 1.31e-37 REF NP_001268658 "dynein light chain roadblock-type 1 isoform c [Homo sapiens]" 72.92 103 98.57 98.57 7.06e-42 REF NP_054902 "dynein light chain roadblock-type 1 isoform a [Homo sapiens]" 100.00 96 100.00 100.00 1.14e-62 SP Q9NP97 "RecName: Full=Dynein light chain roadblock-type 1; AltName: Full=Bithoraxoid-like protein; Short=BLP; AltName: Full=Dynein ligh" 100.00 96 100.00 100.00 1.14e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Homedimeric_LC7_Dynein_Light_Chain_Km23 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 $Homedimeric_LC7_Dynein_Light_Chain_Km23 'recombinant technology' . . . . . 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 'Homedimeric Km23' 1 mM [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'Homedimeric Km23' 1 mM '[U-13 C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_NOESY _Sample_label . save_ save_13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 13C_NOESY _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 315 0.2 K pH 6.0 0.05 pH stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Km23 homodimer unit one' _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 21 1 MET HA H 4.33 . 2 2 21 1 MET HB2 H 2.00 . 1 3 21 1 MET HB3 H 2.00 . 1 4 21 1 MET HE H 1.94 . 1 5 21 1 MET C C 177.19 . 1 6 21 1 MET CA C 56.60 . 1 7 21 1 MET CB C 31.66 . 1 8 21 1 MET CG C 32.26 . 1 9 21 1 MET CE C 16.90 . 1 10 22 2 ALA H H 8.12 . 1 11 22 2 ALA HA H 4.14 . 1 12 22 2 ALA HB H 1.44 . 1 13 22 2 ALA C C 179.91 . 1 14 22 2 ALA CA C 54.97 . 1 15 22 2 ALA CB C 18.39 . 1 16 22 2 ALA N N 122.93 . 1 17 23 3 GLU H H 8.14 . 1 18 23 3 GLU HA H 4.15 . 1 19 23 3 GLU HB2 H 2.13 . 1 20 23 3 GLU HB3 H 2.13 . 1 21 23 3 GLU HG2 H 2.35 . 1 22 23 3 GLU HG3 H 2.35 . 1 23 23 3 GLU C C 179.12 . 1 24 23 3 GLU CA C 59.01 . 1 25 23 3 GLU CB C 29.33 . 1 26 23 3 GLU CG C 36.57 . 1 27 23 3 GLU N N 118.33 . 1 28 24 4 VAL H H 7.80 . 1 29 24 4 VAL HA H 3.67 . 1 30 24 4 VAL HB H 2.11 . 2 31 24 4 VAL HG1 H 0.69 . 2 32 24 4 VAL HG2 H 0.74 . 2 33 24 4 VAL C C 177.43 . 1 34 24 4 VAL CA C 65.72 . 1 35 24 4 VAL CB C 31.59 . 1 36 24 4 VAL CG1 C 21.50 . 2 37 24 4 VAL CG2 C 22.55 . 2 38 24 4 VAL N N 120.64 . 1 39 25 5 GLU H H 8.15 . 1 40 25 5 GLU HA H 3.85 . 1 41 25 5 GLU HB2 H 2.08 . 2 42 25 5 GLU HB3 H 2.04 . 2 43 25 5 GLU HG2 H 2.32 . 2 44 25 5 GLU HG3 H 2.18 . 2 45 25 5 GLU C C 179.14 . 1 46 25 5 GLU CA C 59.98 . 1 47 25 5 GLU CB C 29.24 . 1 48 25 5 GLU CG C 36.64 . 1 49 25 5 GLU N N 119.50 . 1 50 26 6 GLU H H 7.86 . 1 51 26 6 GLU HA H 4.04 . 1 52 26 6 GLU HB2 H 2.11 . 1 53 26 6 GLU HB3 H 2.11 . 1 54 26 6 GLU HG2 H 2.33 . 1 55 26 6 GLU HG3 H 2.33 . 1 56 26 6 GLU C C 179.07 . 1 57 26 6 GLU CA C 59.37 . 1 58 26 6 GLU CB C 29.23 . 1 59 26 6 GLU CG C 35.94 . 1 60 26 6 GLU N N 119.23 . 1 61 27 7 THR H H 7.98 . 1 62 27 7 THR HA H 3.85 . 1 63 27 7 THR HB H 4.32 . 2 64 27 7 THR HG2 H 1.17 . 1 65 27 7 THR C C 175.96 . 1 66 27 7 THR CA C 66.90 . 1 67 27 7 THR CB C 68.46 . 1 68 27 7 THR CG2 C 22.01 . 1 69 27 7 THR N N 118.65 . 1 70 28 8 LEU H H 8.27 . 1 71 28 8 LEU HA H 3.77 . 1 72 28 8 LEU HB2 H 1.68 . 2 73 28 8 LEU HB3 H 1.58 . 2 74 28 8 LEU HG H 1.87 . 2 75 28 8 LEU HD1 H 0.69 . 2 76 28 8 LEU HD2 H 0.66 . 2 77 28 8 LEU C C 178.52 . 1 78 28 8 LEU CA C 59.13 . 1 79 28 8 LEU CB C 41.31 . 1 80 28 8 LEU CG C 28.00 . 1 81 28 8 LEU CD1 C 25.25 . 2 82 28 8 LEU CD2 C 24.30 . 2 83 28 8 LEU N N 121.59 . 1 84 29 9 LYS H H 7.76 . 1 85 29 9 LYS HA H 3.98 . 1 86 29 9 LYS HB2 H 1.88 . 1 87 29 9 LYS HB3 H 1.88 . 1 88 29 9 LYS HG2 H 1.57 . 2 89 29 9 LYS HG3 H 1.40 . 2 90 29 9 LYS HD2 H 1.66 . 1 91 29 9 LYS HD3 H 1.66 . 1 92 29 9 LYS HE2 H 2.92 . 1 93 29 9 LYS HE3 H 2.92 . 1 94 29 9 LYS C C 179.36 . 1 95 29 9 LYS CA C 59.55 . 1 96 29 9 LYS CB C 32.38 . 1 97 29 9 LYS CG C 25.23 . 1 98 29 9 LYS CD C 29.41 . 1 99 29 9 LYS CE C 42.10 . 1 100 29 9 LYS N N 118.08 . 1 101 30 10 ARG H H 7.73 . 1 102 30 10 ARG HA H 4.09 . 1 103 30 10 ARG HB2 H 1.95 . 1 104 30 10 ARG HB3 H 1.95 . 1 105 30 10 ARG HG2 H 1.75 . 1 106 30 10 ARG HG3 H 1.75 . 1 107 30 10 ARG HD2 H 3.21 . 1 108 30 10 ARG HD3 H 3.21 . 1 109 30 10 ARG C C 179.50 . 1 110 30 10 ARG CA C 59.04 . 1 111 30 10 ARG CB C 30.22 . 1 112 30 10 ARG CG C 27.57 . 1 113 30 10 ARG CD C 43.47 . 1 114 30 10 ARG N N 118.85 . 1 115 31 11 LEU H H 8.13 . 1 116 31 11 LEU HA H 4.10 . 1 117 31 11 LEU HB2 H 1.85 . 2 118 31 11 LEU HB3 H 1.33 . 2 119 31 11 LEU HG H 1.57 . 2 120 31 11 LEU HD1 H 0.82 . 2 121 31 11 LEU HD2 H 0.84 . 2 122 31 11 LEU C C 178.74 . 1 123 31 11 LEU CA C 57.41 . 1 124 31 11 LEU CB C 43.03 . 1 125 31 11 LEU CG C 26.63 . 1 126 31 11 LEU CD1 C 26.53 . 2 127 31 11 LEU CD2 C 22.79 . 2 128 31 11 LEU N N 119.88 . 1 129 32 12 GLN H H 8.16 . 1 130 32 12 GLN HA H 3.96 . 1 131 32 12 GLN HB2 H 2.09 . 2 132 32 12 GLN HB3 H 2.14 . 2 133 32 12 GLN HG2 H 2.39 . 2 134 32 12 GLN HG3 H 2.43 . 2 135 32 12 GLN HE21 H 7.21 . 2 136 32 12 GLN HE22 H 6.64 . 2 137 32 12 GLN C C 176.42 . 1 138 32 12 GLN CA C 58.24 . 1 139 32 12 GLN CB C 28.98 . 1 140 32 12 GLN CG C 34.61 . 1 141 32 12 GLN N N 115.83 . 1 142 32 12 GLN NE2 N 109.90 . 2 143 33 13 SER H H 7.36 . 1 144 33 13 SER HA H 4.46 . 1 145 33 13 SER HB2 H 3.97 . 1 146 33 13 SER HB3 H 3.97 . 1 147 33 13 SER C C 174.28 . 1 148 33 13 SER CA C 58.56 . 1 149 33 13 SER CB C 64.02 . 1 150 33 13 SER N N 111.56 . 1 151 34 14 GLN H H 7.47 . 1 152 34 14 GLN HA H 4.26 . 1 153 34 14 GLN HB2 H 2.12 . 1 154 34 14 GLN HB3 H 2.12 . 1 155 34 14 GLN HG2 H 2.40 . 2 156 34 14 GLN HG3 H 2.47 . 2 157 34 14 GLN HE21 H 7.27 . 2 158 34 14 GLN HE22 H 6.71 . 2 159 34 14 GLN C C 175.97 . 1 160 34 14 GLN CA C 55.61 . 1 161 34 14 GLN CB C 29.18 . 1 162 34 14 GLN CG C 34.12 . 1 163 34 14 GLN N N 122.25 . 1 164 34 14 GLN NE2 N 111.11 . 2 165 35 15 LYS H H 8.44 . 1 166 35 15 LYS HA H 4.12 . 1 167 35 15 LYS HB2 H 1.79 . 1 168 35 15 LYS HB3 H 1.79 . 1 169 35 15 LYS HG2 H 1.44 . 1 170 35 15 LYS HG3 H 1.50 . 1 171 35 15 LYS HE2 H 2.99 . 1 172 35 15 LYS C C 177.76 . 1 173 35 15 LYS CA C 57.77 . 1 174 35 15 LYS CB C 32.46 . 1 175 35 15 LYS CG C 24.78 . 1 176 35 15 LYS CD C 29.16 . 1 177 35 15 LYS CE C 42.18 . 1 178 35 15 LYS N N 124.66 . 1 179 36 16 GLY H H 8.72 . 1 180 36 16 GLY HA2 H 3.77 . 2 181 36 16 GLY HA3 H 4.25 . 2 182 36 16 GLY C C 174.53 . 1 183 36 16 GLY CA C 45.79 . 1 184 36 16 GLY N N 111.42 . 1 185 37 17 VAL H H 7.53 . 1 186 37 17 VAL HA H 3.84 . 1 187 37 17 VAL HB H 2.16 . 1 188 37 17 VAL HG1 H 0.81 . 2 189 37 17 VAL HG2 H 0.91 . 2 190 37 17 VAL C C 176.18 . 1 191 37 17 VAL CA C 64.80 . 1 192 37 17 VAL CB C 31.89 . 1 193 37 17 VAL CG1 C 21.80 . 2 194 37 17 VAL CG2 C 22.93 . 2 195 37 17 VAL N N 120.95 . 1 196 38 18 GLN H H 9.47 . 1 197 38 18 GLN HA H 4.39 . 1 198 38 18 GLN HB2 H 2.02 . 1 199 38 18 GLN HB3 H 1.64 . 1 200 38 18 GLN HG2 H 2.31 . 1 201 38 18 GLN HG3 H 2.31 . 1 202 38 18 GLN HE21 H 7.29 . 2 203 38 18 GLN HE22 H 6.67 . 2 204 38 18 GLN C C 176.79 . 1 205 38 18 GLN CA C 56.28 . 1 206 38 18 GLN CB C 29.91 . 1 207 38 18 GLN CG C 33.55 . 1 208 38 18 GLN N N 128.15 . 1 209 38 18 GLN NE2 N 109.70 . 2 210 39 19 GLY H H 7.73 . 1 211 39 19 GLY HA2 H 3.98 . 1 212 39 19 GLY HA3 H 3.98 . 1 213 39 19 GLY C C 180.88 . 1 214 39 19 GLY CA C 45.75 . 1 215 39 19 GLY N N 105.74 . 1 216 40 20 ILE H H 8.09 . 1 217 40 20 ILE HA H 5.13 . 1 218 40 20 ILE HB H 1.55 . 2 219 40 20 ILE HG12 H 1.03 . 1 220 40 20 ILE HG13 H 1.49 . 1 221 40 20 ILE HG2 H 0.78 . 1 222 40 20 ILE HD1 H 0.83 . 1 223 40 20 ILE C C 174.18 . 1 224 40 20 ILE CA C 60.43 . 1 225 40 20 ILE CB C 42.66 . 1 226 40 20 ILE CG1 C 28.47 . 1 227 40 20 ILE CG2 C 19.44 . 1 228 40 20 ILE CD1 C 16.89 . 1 229 40 20 ILE N N 119.56 . 1 230 41 21 ILE H H 9.24 . 1 231 41 21 ILE HA H 4.64 . 1 232 41 21 ILE HB H 1.60 . 1 233 41 21 ILE HG12 H 1.47 . 1 234 41 21 ILE HG13 H 1.20 . 2 235 41 21 ILE HG2 H 0.93 . 1 236 41 21 ILE HD1 H 0.82 . 1 237 41 21 ILE C C 173.97 . 1 238 41 21 ILE CA C 60.52 . 1 239 41 21 ILE CB C 42.95 . 1 240 41 21 ILE CG1 C 27.05 . 1 241 41 21 ILE CG2 C 18.85 . 1 242 41 21 ILE CD1 C 16.39 . 1 243 41 21 ILE N N 124.67 . 1 244 42 22 VAL H H 8.91 . 1 245 42 22 VAL HA H 4.95 . 1 246 42 22 VAL HB H 1.85 . 1 247 42 22 VAL HG1 H 0.63 . 2 248 42 22 VAL HG2 H 0.74 . 2 249 42 22 VAL C C 175.89 . 1 250 42 22 VAL CA C 61.18 . 1 251 42 22 VAL CB C 33.03 . 1 252 42 22 VAL CG1 C 21.86 . 2 253 42 22 VAL CG2 C 21.18 . 2 254 42 22 VAL N N 126.36 . 1 255 43 23 VAL H H 8.91 . 1 256 43 23 VAL HA H 5.11 . 1 257 43 23 VAL HB H 1.60 . 2 258 43 23 VAL HG1 H 0.82 . 2 259 43 23 VAL HG2 H 0.93 . 2 260 43 23 VAL C C 175.03 . 1 261 43 23 VAL CA C 58.84 . 1 262 43 23 VAL CB C 34.93 . 1 263 43 23 VAL CG1 C 21.71 . 2 264 43 23 VAL CG2 C 21.30 . 2 265 43 23 VAL N N 123.05 . 1 266 44 24 ASN H H 8.38 . 1 267 44 24 ASN HA H 5.13 . 1 268 44 24 ASN HB2 H 3.96 . 2 269 44 24 ASN HB3 H 2.83 . 2 270 44 24 ASN HD21 H 7.74 . 2 271 44 24 ASN HD22 H 6.62 . 2 272 44 24 ASN C C 176.73 . 1 273 44 24 ASN CA C 51.53 . 1 274 44 24 ASN CB C 38.55 . 1 275 44 24 ASN N N 121.17 . 1 276 44 24 ASN ND2 N 110.91 . 2 277 45 25 THR H H 7.89 . 1 278 45 25 THR HA H 4.07 . 1 279 45 25 THR HB H 4.42 . 2 280 45 25 THR HG2 H 1.26 . 1 281 45 25 THR C C 175.64 . 1 282 45 25 THR CA C 65.58 . 1 283 45 25 THR CB C 68.78 . 1 284 45 25 THR CG2 C 22.21 . 1 285 45 25 THR N N 108.80 . 1 286 46 26 GLU H H 7.52 . 1 287 46 26 GLU HA H 4.40 . 1 288 46 26 GLU HB2 H 1.93 . 1 289 46 26 GLU HB3 H 1.93 . 1 290 46 26 GLU HG2 H 2.23 . 1 291 46 26 GLU HG3 H 2.23 . 1 292 46 26 GLU C C 175.96 . 1 293 46 26 GLU CA C 56.19 . 1 294 46 26 GLU CB C 29.96 . 1 295 46 26 GLU CG C 36.90 . 1 296 46 26 GLU N N 118.84 . 1 297 47 27 GLY H H 7.86 . 1 298 47 27 GLY HA2 H 3.43 . 2 299 47 27 GLY HA3 H 2.89 . 2 300 47 27 GLY C C 172.78 . 1 301 47 27 GLY CA C 44.93 . 1 302 47 27 GLY N N 107.50 . 1 303 48 28 ILE H H 7.64 . 1 304 48 28 ILE HA H 4.27 . 1 305 48 28 ILE HB H 1.80 . 2 306 48 28 ILE HG12 H 1.35 . 2 307 48 28 ILE HG13 H 1.19 . 2 308 48 28 ILE HG2 H 0.81 . 1 309 48 28 ILE HD1 H 0.74 . 1 310 48 28 ILE C C 175.16 . 1 311 48 28 ILE CA C 57.21 . 1 312 48 28 ILE CB C 38.25 . 1 313 48 28 ILE CG1 C 27.53 . 2 314 48 28 ILE CG2 C 16.28 . 2 315 48 28 ILE CD1 C 11.45 . 2 316 48 28 ILE N N 122.15 . 1 317 49 29 PRO HA H 4.78 . 2 318 49 29 PRO HB2 H 1.86 . 2 319 49 29 PRO HB3 H 1.63 . 2 320 49 29 PRO HG2 H 1.65 . 2 321 49 29 PRO HG3 H 2.22 . 2 322 49 29 PRO HD2 H 3.73 . 2 323 49 29 PRO HD3 H 3.90 . 2 324 49 29 PRO C C 175.91 . 1 325 49 29 PRO CA C 62.33 . 1 326 49 29 PRO CB C 30.91 . 1 327 49 29 PRO CG C 27.82 . 1 328 49 29 PRO CD C 50.79 . 1 329 50 30 ILE H H 8.95 . 1 330 50 30 ILE HA H 4.19 . 1 331 50 30 ILE HB H 1.70 . 1 332 50 30 ILE HG12 H 1.09 . 2 333 50 30 ILE HG13 H 1.20 . 2 334 50 30 ILE HG2 H 0.89 . 1 335 50 30 ILE HD1 H 0.66 . 1 336 50 30 ILE C C 176.22 . 1 337 50 30 ILE CA C 61.39 . 1 338 50 30 ILE CB C 39.23 . 1 339 50 30 ILE CG1 C 26.64 . 1 340 50 30 ILE CG2 C 18.13 . 1 341 50 30 ILE CD1 C 12.89 . 1 342 50 30 ILE N N 123.38 . 1 343 51 31 LYS H H 7.43 . 1 344 51 31 LYS HA H 4.49 . 1 345 51 31 LYS HB2 H 1.49 . 1 346 51 31 LYS HB3 H 1.57 . 1 347 51 31 LYS HG2 H 1.26 . 1 348 51 31 LYS HG3 H 1.26 . 1 349 51 31 LYS HD2 H 1.63 . 1 350 51 31 LYS HD3 H 1.63 . 1 351 51 31 LYS HE2 H 2.84 . 1 352 51 31 LYS HE3 H 2.84 . 1 353 51 31 LYS C C 174.36 . 1 354 51 31 LYS CA C 55.36 . 1 355 51 31 LYS CB C 36.43 . 1 356 51 31 LYS CG C 25.36 . 1 357 51 31 LYS CD C 28.70 . 1 358 51 31 LYS CE C 42.05 . 1 359 51 31 LYS N N 118.01 . 1 360 52 32 SER H H 8.47 . 1 361 52 32 SER HA H 5.44 . 1 362 52 32 SER HB2 H 3.86 . 2 363 52 32 SER HB3 H 3.64 . 2 364 52 32 SER C C 175.30 . 1 365 52 32 SER CA C 55.74 . 1 366 52 32 SER CB C 65.09 . 1 367 52 32 SER N N 115.82 . 1 368 53 33 THR H H 8.64 . 1 369 53 33 THR HA H 4.62 . 1 370 53 33 THR HB H 4.71 . 2 371 53 33 THR HG2 H 1.19 . 1 372 53 33 THR C C 174.36 . 1 373 53 33 THR CA C 61.85 . 1 374 53 33 THR CB C 68.78 . 1 375 53 33 THR CG2 C 21.90 . 1 376 53 33 THR N N 115.59 . 1 377 54 34 MET H H 8.51 . 1 378 54 34 MET HA H 4.75 . 1 379 54 34 MET HB2 H 2.18 . 1 380 54 34 MET HB3 H 1.74 . 1 381 54 34 MET HG2 H 2.32 . 1 382 54 34 MET HG3 H 2.32 . 1 383 54 34 MET HE H 1.78 . 1 384 54 34 MET C C 175.16 . 1 385 54 34 MET CA C 54.33 . 1 386 54 34 MET CB C 35.59 . 1 387 54 34 MET CG C 32.75 . 1 388 54 34 MET CE C 17.66 . 1 389 54 34 MET N N 121.51 . 1 390 55 35 ASP H H 8.41 . 1 391 55 35 ASP HA H 4.48 . 1 392 55 35 ASP HB2 H 2.81 . 2 393 55 35 ASP HB3 H 3.10 . 2 394 55 35 ASP C C 177.63 . 1 395 55 35 ASP CA C 53.81 . 1 396 55 35 ASP CB C 40.99 . 1 397 55 35 ASP N N 118.43 . 1 398 56 36 ASN HA H 4.61 . 1 399 56 36 ASN HB2 H 2.91 . 1 400 56 36 ASN HB3 H 2.97 . 1 401 56 36 ASN HD21 H 6.92 . 2 402 56 36 ASN HD22 H 7.62 . 2 403 56 36 ASN CA C 58.89 . 1 404 56 36 ASN CB C 36.51 . 1 405 56 36 ASN ND2 N 112.72 . 2 406 57 37 PRO HA H 4.32 . 2 407 57 37 PRO HB2 H 2.33 . 2 408 57 37 PRO HB3 H 2.21 . 2 409 57 37 PRO HG2 H 2.01 . 2 410 57 37 PRO HG3 H 2.21 . 2 411 57 37 PRO HD2 H 3.71 . 2 412 57 37 PRO HD3 H 3.98 . 2 413 57 37 PRO C C 179.68 . 1 414 57 37 PRO CA C 66.63 . 1 415 57 37 PRO CB C 30.82 . 1 416 57 37 PRO CG C 28.20 . 1 417 57 37 PRO CD C 50.09 . 1 418 58 38 THR H H 8.00 . 1 419 58 38 THR HA H 3.99 . 1 420 58 38 THR HB H 4.03 . 1 421 58 38 THR HG2 H 1.33 . 1 422 58 38 THR C C 176.33 . 1 423 58 38 THR CA C 67.11 . 1 424 58 38 THR CB C 67.94 . 1 425 58 38 THR CG2 C 22.05 . 1 426 58 38 THR N N 115.81 . 1 427 59 39 THR H H 8.38 . 1 428 59 39 THR HA H 3.75 . 1 429 59 39 THR HB H 4.48 . 2 430 59 39 THR HG2 H 1.22 . 1 431 59 39 THR C C 177.95 . 1 432 59 39 THR CA C 68.06 . 1 433 59 39 THR CB C 68.71 . 1 434 59 39 THR CG2 C 21.42 . 1 435 59 39 THR N N 118.88 . 1 436 60 40 THR H H 8.37 . 1 437 60 40 THR HA H 3.83 . 1 438 60 40 THR HB H 4.22 . 2 439 60 40 THR HG2 H 1.25 . 1 440 60 40 THR C C 176.50 . 1 441 60 40 THR CA C 66.90 . 1 442 60 40 THR CB C 68.83 . 1 443 60 40 THR CG2 C 21.54 . 1 444 60 40 THR N N 116.34 . 1 445 61 41 GLN H H 7.74 . 1 446 61 41 GLN HA H 4.12 . 1 447 61 41 GLN HB2 H 2.13 . 2 448 61 41 GLN HB3 H 2.16 . 2 449 61 41 GLN HG2 H 2.32 . 1 450 61 41 GLN HG3 H 2.32 . 1 451 61 41 GLN HE21 H 7.07 . 2 452 61 41 GLN HE22 H 6.60 . 2 453 61 41 GLN C C 177.94 . 1 454 61 41 GLN CA C 59.36 . 1 455 61 41 GLN CB C 28.80 . 1 456 61 41 GLN CG C 33.49 . 1 457 61 41 GLN N N 122.23 . 1 458 61 41 GLN NE2 N 110.14 . 2 459 62 42 TYR H H 8.39 . 1 460 62 42 TYR HA H 3.98 . 1 461 62 42 TYR HB2 H 3.00 . 2 462 62 42 TYR HB3 H 2.55 . 2 463 62 42 TYR HD1 H 6.99 . 1 464 62 42 TYR HD2 H 6.99 . 1 465 62 42 TYR HE1 H 6.57 . 1 466 62 42 TYR HE2 H 6.57 . 1 467 62 42 TYR C C 178.86 . 1 468 62 42 TYR CA C 63.11 . 1 469 62 42 TYR CB C 39.49 . 1 470 62 42 TYR CD1 C 131.62 . 1 471 62 42 TYR CD2 C 131.62 . 1 472 62 42 TYR CE1 C 118.13 . 1 473 62 42 TYR CE2 C 118.13 . 1 474 62 42 TYR N N 116.13 . 1 475 63 43 ALA H H 8.88 . 1 476 63 43 ALA HA H 3.87 . 1 477 63 43 ALA HB H 1.46 . 1 478 63 43 ALA C C 178.82 . 1 479 63 43 ALA CA C 56.70 . 1 480 63 43 ALA CB C 18.67 . 1 481 63 43 ALA N N 119.92 . 1 482 64 44 SER H H 7.84 . 1 483 64 44 SER HA H 4.36 . 1 484 64 44 SER HB2 H 4.03 . 1 485 64 44 SER HB3 H 4.03 . 1 486 64 44 SER C C 178.00 . 1 487 64 44 SER CA C 61.56 . 1 488 64 44 SER CB C 63.03 . 1 489 64 44 SER N N 110.88 . 1 490 65 45 LEU H H 7.89 . 1 491 65 45 LEU HA H 4.25 . 1 492 65 45 LEU HB2 H 1.78 . 2 493 65 45 LEU HB3 H 1.41 . 2 494 65 45 LEU HG H 1.74 . 2 495 65 45 LEU HD1 H 0.77 . 2 496 65 45 LEU HD2 H 0.88 . 2 497 65 45 LEU C C 180.39 . 1 498 65 45 LEU CA C 57.57 . 1 499 65 45 LEU CB C 42.72 . 1 500 65 45 LEU CG C 27.21 . 1 501 65 45 LEU CD1 C 25.93 . 2 502 65 45 LEU CD2 C 23.73 . 2 503 65 45 LEU N N 121.38 . 1 504 66 46 MET H H 8.81 . 1 505 66 46 MET HA H 4.71 . 1 506 66 46 MET HB2 H 2.44 . 1 507 66 46 MET HB3 H 2.44 . 1 508 66 46 MET HG2 H 2.77 . 1 509 66 46 MET HG3 H 2.71 . 1 510 66 46 MET HE H 1.75 . 1 511 66 46 MET C C 178.48 . 1 512 66 46 MET CA C 55.92 . 1 513 66 46 MET CB C 30.77 . 1 514 66 46 MET CG C 33.62 . 1 515 66 46 MET CE C 17.57 . 1 516 66 46 MET N N 115.16 . 1 517 67 47 HIS H H 8.43 . 1 518 67 47 HIS HA H 4.17 . 1 519 67 47 HIS HB2 H 3.34 . 1 520 67 47 HIS HB3 H 3.34 . 1 521 67 47 HIS HD2 H 7.12 . 2 522 67 47 HIS C C 176.34 . 1 523 67 47 HIS CA C 60.96 . 1 524 67 47 HIS CB C 31.02 . 1 525 67 47 HIS CD2 C 119.93 . 2 526 67 47 HIS N N 120.65 . 1 527 68 48 SER H H 7.56 . 1 528 68 48 SER HA H 3.94 . 1 529 68 48 SER HB2 H 4.59 . 1 530 68 48 SER HB3 H 4.59 . 1 531 68 48 SER C C 177.38 . 1 532 68 48 SER CA C 61.40 . 1 533 68 48 SER CB C 62.85 . 1 534 68 48 SER N N 110.31 . 1 535 69 49 PHE H H 7.70 . 1 536 69 49 PHE HA H 4.18 . 1 537 69 49 PHE HB2 H 3.40 . 2 538 69 49 PHE HB3 H 3.13 . 2 539 69 49 PHE HD1 H 7.00 . 1 540 69 49 PHE HD2 H 7.00 . 1 541 69 49 PHE HE1 H 6.84 . 1 542 69 49 PHE HE2 H 6.84 . 1 543 69 49 PHE HZ H 6.81 . 1 544 69 49 PHE C C 176.67 . 1 545 69 49 PHE CA C 60.96 . 1 546 69 49 PHE CB C 39.53 . 1 547 69 49 PHE CD1 C 130.97 . 1 548 69 49 PHE CD2 C 130.97 . 1 549 69 49 PHE CE1 C 130.25 . 1 550 69 49 PHE CE2 C 130.25 . 1 551 69 49 PHE CZ C 128.63 . 1 552 69 49 PHE N N 121.38 . 1 553 70 50 ILE H H 8.81 . 1 554 70 50 ILE HA H 3.20 . 1 555 70 50 ILE HB H 1.57 . 1 556 70 50 ILE HG12 H 0.62 . 2 557 70 50 ILE HG13 H 1.54 . 2 558 70 50 ILE HG2 H 0.15 . 1 559 70 50 ILE HD1 H 0.38 . 1 560 70 50 ILE C C 177.48 . 1 561 70 50 ILE CA C 65.17 . 1 562 70 50 ILE CB C 37.34 . 1 563 70 50 ILE CG1 C 29.86 . 1 564 70 50 ILE CG2 C 17.00 . 1 565 70 50 ILE CD1 C 13.92 . 1 566 70 50 ILE N N 120.73 . 1 567 71 51 LEU H H 7.61 . 1 568 71 51 LEU HA H 3.82 . 1 569 71 51 LEU HB2 H 1.39 . 2 570 71 51 LEU HB3 H 1.64 . 2 571 71 51 LEU HG H 1.40 . 2 572 71 51 LEU HD1 H 0.60 . 2 573 71 51 LEU HD2 H 0.73 . 2 574 71 51 LEU C C 180.35 . 1 575 71 51 LEU CA C 58.35 . 1 576 71 51 LEU CB C 41.10 . 1 577 71 51 LEU CG C 26.75 . 1 578 71 51 LEU CD1 C 24.78 . 2 579 71 51 LEU CD2 C 22.69 . 1 580 71 51 LEU N N 119.57 . 1 581 72 52 LYS H H 7.51 . 1 582 72 52 LYS HA H 4.20 . 1 583 72 52 LYS HB2 H 1.96 . 1 584 72 52 LYS HB3 H 1.96 . 1 585 72 52 LYS HG2 H 1.39 . 1 586 72 52 LYS HG3 H 1.39 . 1 587 72 52 LYS HD2 H 1.65 . 2 588 72 52 LYS HD3 H 1.71 . 2 589 72 52 LYS HE2 H 2.83 . 1 590 72 52 LYS HE3 H 2.83 . 1 591 72 52 LYS C C 179.22 . 1 592 72 52 LYS CA C 57.41 . 1 593 72 52 LYS CB C 31.65 . 1 594 72 52 LYS CG C 25.20 . 1 595 72 52 LYS CD C 28.41 . 1 596 72 52 LYS CE C 42.06 . 1 597 72 52 LYS N N 119.69 . 1 598 73 53 ALA H H 8.70 . 1 599 73 53 ALA HA H 3.43 . 1 600 73 53 ALA HB H 1.15 . 1 601 73 53 ALA C C 178.25 . 1 602 73 53 ALA CA C 55.31 . 1 603 73 53 ALA CB C 19.05 . 1 604 73 53 ALA N N 125.19 . 1 605 74 54 ARG H H 8.47 . 1 606 74 54 ARG HA H 3.74 . 1 607 74 54 ARG HB2 H 1.95 . 2 608 74 54 ARG HB3 H 1.76 . 2 609 74 54 ARG HG2 H 1.63 . 1 610 74 54 ARG HG3 H 1.63 . 1 611 74 54 ARG HD2 H 3.18 . 2 612 74 54 ARG HD3 H 3.13 . 2 613 74 54 ARG C C 178.15 . 1 614 74 54 ARG CA C 60.38 . 1 615 74 54 ARG CB C 30.56 . 1 616 74 54 ARG CG C 27.97 . 1 617 74 54 ARG CD C 44.22 . 1 618 74 54 ARG N N 117.13 . 1 619 75 55 SER H H 7.99 . 1 620 75 55 SER HA H 4.06 . 1 621 75 55 SER HB2 H 3.93 . 2 622 75 55 SER HB3 H 3.90 . 2 623 75 55 SER C C 175.77 . 1 624 75 55 SER CA C 61.66 . 1 625 75 55 SER CB C 62.70 . 1 626 75 55 SER N N 113.74 . 1 627 76 56 THR H H 7.88 . 1 628 76 56 THR HA H 3.79 . 1 629 76 56 THR HB H 3.93 . 2 630 76 56 THR HG2 H 0.84 . 1 631 76 56 THR C C 175.02 . 1 632 76 56 THR CA C 67.75 . 1 633 76 56 THR CB C 68.54 . 1 634 76 56 THR CG2 C 20.65 . 1 635 76 56 THR N N 118.62 . 1 636 77 57 VAL H H 7.43 . 1 637 77 57 VAL HA H 3.44 . 1 638 77 57 VAL HB H 2.07 . 2 639 77 57 VAL HG1 H 0.72 . 2 640 77 57 VAL HG2 H 0.85 . 2 641 77 57 VAL C C 178.32 . 1 642 77 57 VAL CA C 66.55 . 1 643 77 57 VAL CB C 31.48 . 1 644 77 57 VAL CG1 C 21.29 . 2 645 77 57 VAL CG2 C 22.19 . 2 646 77 57 VAL N N 116.36 . 1 647 78 58 ARG H H 7.59 . 1 648 78 58 ARG HA H 4.27 . 1 649 78 58 ARG HB2 H 1.78 . 2 650 78 58 ARG HB3 H 1.72 . 2 651 78 58 ARG HD2 H 3.16 . 1 652 78 58 ARG HD3 H 3.16 . 1 653 78 58 ARG C C 177.47 . 1 654 78 58 ARG CA C 58.08 . 1 655 78 58 ARG CB C 30.30 . 1 656 78 58 ARG CG C 28.03 . 1 657 78 58 ARG CD C 44.02 . 1 658 78 58 ARG N N 119.03 . 1 659 79 59 ASP H H 8.04 . 1 660 79 59 ASP HA H 4.35 . 1 661 79 59 ASP HB2 H 2.46 . 2 662 79 59 ASP HB3 H 2.75 . 2 663 79 59 ASP C C 178.43 . 1 664 79 59 ASP CA C 56.35 . 1 665 79 59 ASP CB C 40.76 . 1 666 79 59 ASP N N 119.79 . 1 667 80 60 ILE H H 7.05 . 1 668 80 60 ILE HA H 3.54 . 1 669 80 60 ILE HB H 1.57 . 1 670 80 60 ILE HG12 H 0.45 . 2 671 80 60 ILE HG13 H 1.57 . 2 672 80 60 ILE HG2 H 0.62 . 1 673 80 60 ILE HD1 H 0.31 . 1 674 80 60 ILE C C 176.21 . 1 675 80 60 ILE CA C 63.97 . 1 676 80 60 ILE CB C 38.65 . 1 677 80 60 ILE CG1 C 29.08 . 1 678 80 60 ILE CG2 C 17.25 . 1 679 80 60 ILE CD1 C 13.07 . 1 680 80 60 ILE N N 118.69 . 1 681 81 61 ASP H H 7.31 . 1 682 81 61 ASP HA H 4.87 . 1 683 81 61 ASP HB2 H 2.58 . 2 684 81 61 ASP HB3 H 2.71 . 2 685 81 61 ASP C C 176.22 . 1 686 81 61 ASP CA C 51.04 . 1 687 81 61 ASP CB C 43.18 . 1 688 81 61 ASP N N 116.66 . 1 689 82 62 PRO HA H 4.37 . 2 690 82 62 PRO HB2 H 2.22 . 2 691 82 62 PRO HB3 H 1.91 . 2 692 82 62 PRO HG2 H 1.96 . 1 693 82 62 PRO HG3 H 1.96 . 1 694 82 62 PRO HD2 H 3.88 . 2 695 82 62 PRO HD3 H 3.61 . 2 696 82 62 PRO C C 178.00 . 1 697 82 62 PRO CA C 64.41 . 1 698 82 62 PRO CB C 32.05 . 1 699 82 62 PRO CG C 26.84 . 1 700 82 62 PRO CD C 50.95 . 1 701 83 63 GLN H H 8.11 . 1 702 83 63 GLN HA H 4.40 . 1 703 83 63 GLN HB2 H 2.25 . 2 704 83 63 GLN HB3 H 1.88 . 2 705 83 63 GLN HG2 H 2.36 . 2 706 83 63 GLN HG3 H 2.31 . 2 707 83 63 GLN HE21 H 6.74 . 2 708 83 63 GLN HE22 H 7.48 . 2 709 83 63 GLN C C 175.43 . 1 710 83 63 GLN CA C 55.38 . 1 711 83 63 GLN CB C 28.77 . 1 712 83 63 GLN CG C 34.45 . 1 713 83 63 GLN N N 115.82 . 1 714 83 63 GLN NE2 N 111.91 . 2 715 84 64 ASN H H 8.15 . 1 716 84 64 ASN HA H 4.83 . 1 717 84 64 ASN HB2 H 2.95 . 1 718 84 64 ASN HB3 H 2.66 . 1 719 84 64 ASN HD21 H 7.51 . 2 720 84 64 ASN HD22 H 8.10 . 2 721 84 64 ASN C C 172.99 . 1 722 84 64 ASN CA C 50.41 . 1 723 84 64 ASN CB C 40.91 . 1 724 84 64 ASN N N 120.35 . 1 725 84 64 ASN ND2 N 111.07 . 2 726 85 65 ASP H H 7.83 . 1 727 85 65 ASP HA H 4.71 . 1 728 85 65 ASP HB2 H 2.57 . 1 729 85 65 ASP HB3 H 2.44 . 1 730 85 65 ASP C C 174.74 . 1 731 85 65 ASP CA C 53.23 . 1 732 85 65 ASP CB C 44.30 . 1 733 85 65 ASP N N 115.38 . 1 734 86 66 LEU H H 8.93 . 1 735 86 66 LEU HA H 4.12 . 1 736 86 66 LEU HB2 H 1.27 . 2 737 86 66 LEU HB3 H 1.72 . 2 738 86 66 LEU HG H 1.47 . 2 739 86 66 LEU HD1 H 0.85 . 2 740 86 66 LEU HD2 H 0.70 . 2 741 86 66 LEU C C 175.56 . 1 742 86 66 LEU CA C 55.60 . 1 743 86 66 LEU CB C 45.05 . 1 744 86 66 LEU CG C 27.13 . 1 745 86 66 LEU CD1 C 25.69 . 2 746 86 66 LEU CD2 C 26.00 . 2 747 86 66 LEU N N 122.89 . 1 748 87 67 THR H H 9.39 . 1 749 87 67 THR HA H 4.54 . 1 750 87 67 THR HB H 4.00 . 2 751 87 67 THR HG2 H 1.13 . 1 752 87 67 THR C C 174.86 . 1 753 87 67 THR CA C 63.27 . 1 754 87 67 THR CB C 69.45 . 1 755 87 67 THR CG2 C 22.54 . 1 756 87 67 THR N N 119.26 . 1 757 88 68 PHE H H 7.95 . 1 758 88 68 PHE HA H 4.99 . 1 759 88 68 PHE HB2 H 3.40 . 1 760 88 68 PHE HB3 H 3.09 . 1 761 88 68 PHE HD1 H 7.19 . 1 762 88 68 PHE HD2 H 7.19 . 1 763 88 68 PHE HE1 H 7.25 . 1 764 88 68 PHE HE2 H 7.25 . 1 765 88 68 PHE HZ H 7.32 . 1 766 88 68 PHE C C 172.94 . 1 767 88 68 PHE CA C 59.35 . 1 768 88 68 PHE CB C 42.38 . 1 769 88 68 PHE CD1 C 132.31 . 1 770 88 68 PHE CD2 C 132.31 . 1 771 88 68 PHE CE1 C 131.12 . 1 772 88 68 PHE CE2 C 131.12 . 1 773 88 68 PHE CZ C 130.03 . 1 774 88 68 PHE N N 117.44 . 1 775 89 69 LEU H H 8.58 . 1 776 89 69 LEU HA H 5.34 . 1 777 89 69 LEU HB2 H 1.62 . 2 778 89 69 LEU HB3 H 1.69 . 2 779 89 69 LEU HG H 1.70 . 2 780 89 69 LEU HD1 H 0.89 . 2 781 89 69 LEU HD2 H 0.84 . 2 782 89 69 LEU C C 174.09 . 1 783 89 69 LEU CA C 54.11 . 1 784 89 69 LEU CB C 47.15 . 1 785 89 69 LEU CG C 27.41 . 1 786 89 69 LEU CD1 C 25.73 . 1 787 89 69 LEU CD2 C 26.74 . 1 788 89 69 LEU N N 123.52 . 1 789 90 70 ARG H H 9.28 . 1 790 90 70 ARG HA H 5.46 . 1 791 90 70 ARG HB2 H 2.01 . 2 792 90 70 ARG HB3 H 1.84 . 2 793 90 70 ARG HG2 H 1.75 . 2 794 90 70 ARG HG3 H 1.58 . 2 795 90 70 ARG HD2 H 3.35 . 2 796 90 70 ARG HD3 H 3.19 . 2 797 90 70 ARG C C 174.82 . 1 798 90 70 ARG CA C 55.40 . 1 799 90 70 ARG CB C 34.84 . 1 800 90 70 ARG CG C 27.99 . 1 801 90 70 ARG CD C 44.07 . 1 802 90 70 ARG N N 123.01 . 1 803 91 71 ILE H H 9.58 . 1 804 91 71 ILE HA H 4.62 . 1 805 91 71 ILE HB H 1.88 . 1 806 91 71 ILE HG12 H 1.55 . 2 807 91 71 ILE HG13 H 0.88 . 2 808 91 71 ILE HG2 H 0.76 . 1 809 91 71 ILE HD1 H 0.62 . 1 810 91 71 ILE C C 174.27 . 1 811 91 71 ILE CA C 60.39 . 1 812 91 71 ILE CB C 40.88 . 1 813 91 71 ILE CG1 C 27.63 . 1 814 91 71 ILE CG2 C 17.76 . 1 815 91 71 ILE CD1 C 14.93 . 1 816 91 71 ILE N N 124.86 . 1 817 92 72 ARG H H 9.22 . 1 818 92 72 ARG HA H 4.89 . 1 819 92 72 ARG HB2 H 1.50 . 1 820 92 72 ARG HB3 H 1.50 . 1 821 92 72 ARG HG2 H 1.66 . 1 822 92 72 ARG HG3 H 1.66 . 1 823 92 72 ARG HD2 H 3.16 . 2 824 92 72 ARG C C 174.01 . 1 825 92 72 ARG CA C 55.62 . 1 826 92 72 ARG CB C 32.05 . 1 827 92 72 ARG CG C 27.89 . 1 828 92 72 ARG CD C 43.35 . 1 829 92 72 ARG N N 129.52 . 1 830 93 73 SER H H 9.20 . 1 831 93 73 SER HA H 5.44 . 1 832 93 73 SER HB2 H 3.66 . 2 833 93 73 SER HB3 H 4.43 . 2 834 93 73 SER C C 173.22 . 1 835 93 73 SER CA C 56.93 . 1 836 93 73 SER CB C 66.73 . 1 837 93 73 SER N N 125.03 . 1 838 94 74 LYS H H 8.21 . 1 839 94 74 LYS HA H 4.12 . 1 840 94 74 LYS HB2 H 2.12 . 2 841 94 74 LYS HB3 H 2.00 . 2 842 94 74 LYS HG2 H 1.57 . 2 843 94 74 LYS HG3 H 1.43 . 2 844 94 74 LYS HD2 H 1.73 . 1 845 94 74 LYS HD3 H 1.73 . 1 846 94 74 LYS HE2 H 2.96 . 1 847 94 74 LYS HE3 H 2.96 . 1 848 94 74 LYS C C 178.36 . 1 849 94 74 LYS CA C 59.32 . 1 850 94 74 LYS CB C 32.54 . 1 851 94 74 LYS CG C 25.59 . 1 852 94 74 LYS CD C 29.33 . 1 853 94 74 LYS CE C 42.04 . 1 854 94 74 LYS N N 118.45 . 1 855 95 75 LYS H H 7.83 . 1 856 95 75 LYS HA H 4.35 . 1 857 95 75 LYS HB2 H 1.43 . 2 858 95 75 LYS HB3 H 1.84 . 2 859 95 75 LYS HG2 H 1.24 . 2 860 95 75 LYS HG3 H 1.32 . 2 861 95 75 LYS HD2 H 1.50 . 1 862 95 75 LYS HD3 H 1.50 . 1 863 95 75 LYS HE2 H 2.73 . 2 864 95 75 LYS HE3 H 2.86 . 2 865 95 75 LYS C C 176.17 . 1 866 95 75 LYS CA C 56.91 . 1 867 95 75 LYS CB C 35.47 . 1 868 95 75 LYS CG C 25.52 . 1 869 95 75 LYS CD C 29.30 . 1 870 95 75 LYS CE C 42.01 . 1 871 95 75 LYS N N 113.27 . 1 872 96 76 ASN H H 7.69 . 1 873 96 76 ASN HA H 4.64 . 1 874 96 76 ASN HB2 H 2.75 . 2 875 96 76 ASN HB3 H 3.15 . 2 876 96 76 ASN HD21 H 7.41 . 2 877 96 76 ASN HD22 H 6.35 . 2 878 96 76 ASN C C 172.78 . 1 879 96 76 ASN CA C 52.76 . 1 880 96 76 ASN CB C 39.60 . 1 881 96 76 ASN N N 113.09 . 1 882 96 76 ASN ND2 N 111.55 . 2 883 97 77 GLU H H 8.95 . 1 884 97 77 GLU HA H 5.23 . 1 885 97 77 GLU HB2 H 1.91 . 1 886 97 77 GLU HB3 H 1.91 . 1 887 97 77 GLU HG2 H 2.08 . 1 888 97 77 GLU HG3 H 2.08 . 1 889 97 77 GLU C C 173.91 . 1 890 97 77 GLU CA C 55.49 . 1 891 97 77 GLU CB C 33.97 . 1 892 97 77 GLU CG C 37.42 . 1 893 97 77 GLU N N 118.69 . 1 894 98 78 ILE H H 9.01 . 1 895 98 78 ILE HA H 5.06 . 1 896 98 78 ILE HB H 1.63 . 1 897 98 78 ILE HG12 H 0.90 . 1 898 98 78 ILE HG13 H 1.59 . 1 899 98 78 ILE HG2 H 0.77 . 1 900 98 78 ILE HD1 H 0.82 . 1 901 98 78 ILE C C 174.96 . 1 902 98 78 ILE CA C 59.88 . 1 903 98 78 ILE CB C 41.41 . 1 904 98 78 ILE CG1 C 27.68 . 1 905 98 78 ILE CG2 C 18.25 . 1 906 98 78 ILE CD1 C 14.28 . 1 907 98 78 ILE N N 124.86 . 1 908 99 79 MET H H 9.40 . 1 909 99 79 MET HA H 5.34 . 1 910 99 79 MET HB2 H 1.99 . 1 911 99 79 MET HB3 H 2.08 . 1 912 99 79 MET HG2 H 2.45 . 1 913 99 79 MET HG3 H 2.45 . 1 914 99 79 MET HE H 1.91 . 1 915 99 79 MET C C 174.69 . 1 916 99 79 MET CA C 54.06 . 1 917 99 79 MET CB C 35.48 . 1 918 99 79 MET CG C 32.52 . 1 919 99 79 MET CE C 17.28 . 1 920 99 79 MET N N 127.52 . 1 921 100 80 VAL H H 8.93 . 1 922 100 80 VAL HA H 5.33 . 1 923 100 80 VAL HB H 1.95 . 2 924 100 80 VAL HG1 H 0.82 . 2 925 100 80 VAL HG2 H 0.88 . 2 926 100 80 VAL C C 174.05 . 1 927 100 80 VAL CA C 60.38 . 1 928 100 80 VAL CB C 34.55 . 1 929 100 80 VAL CG1 C 21.98 . 2 930 100 80 VAL CG2 C 21.46 . 2 931 100 80 VAL N N 123.01 . 1 932 101 81 ALA H H 8.94 . 1 933 101 81 ALA HA H 5.24 . 1 934 101 81 ALA HB H 1.53 . 1 935 101 81 ALA C C 174.98 . 1 936 101 81 ALA CA C 48.64 . 1 937 101 81 ALA CB C 21.64 . 1 938 101 81 ALA N N 128.78 . 1 939 102 82 PRO HA H 4.56 . 2 940 102 82 PRO HB2 H 2.03 . 1 941 102 82 PRO HB3 H 2.10 . 1 942 102 82 PRO HG2 H 1.74 . 2 943 102 82 PRO HG3 H 1.99 . 2 944 102 82 PRO HD2 H 3.56 . 2 945 102 82 PRO HD3 H 4.05 . 2 946 102 82 PRO C C 175.61 . 1 947 102 82 PRO CA C 62.32 . 1 948 102 82 PRO CB C 32.48 . 1 949 102 82 PRO CG C 27.04 . 1 950 102 82 PRO CD C 51.11 . 1 951 103 83 ASP H H 8.20 . 1 952 103 83 ASP HA H 4.56 . 1 953 103 83 ASP HB2 H 2.29 . 1 954 103 83 ASP C C 174.75 . 1 955 103 83 ASP CA C 53.82 . 1 956 103 83 ASP CB C 43.30 . 1 957 103 83 ASP N N 124.18 . 1 958 104 84 LYS H H 8.87 . 1 959 104 84 LYS HA H 3.70 . 1 960 104 84 LYS HB2 H 1.79 . 1 961 104 84 LYS HB3 H 1.79 . 1 962 104 84 LYS HG2 H 1.32 . 1 963 104 84 LYS HG3 H 1.37 . 1 964 104 84 LYS HE2 H 2.93 . 1 965 104 84 LYS HE3 H 2.93 . 1 966 104 84 LYS C C 176.38 . 1 967 104 84 LYS CA C 58.79 . 1 968 104 84 LYS CB C 30.42 . 1 969 104 84 LYS CG C 24.79 . 1 970 104 84 LYS CD C 28.98 . 1 971 104 84 LYS CE C 42.04 . 1 972 104 84 LYS N N 121.76 . 1 973 105 85 ASP H H 8.19 . 1 974 105 85 ASP HA H 4.56 . 1 975 105 85 ASP HB2 H 2.62 . 2 976 105 85 ASP HB3 H 2.50 . 2 977 105 85 ASP C C 174.36 . 1 978 105 85 ASP CA C 54.19 . 1 979 105 85 ASP CB C 40.70 . 1 980 105 85 ASP N N 118.90 . 1 981 106 86 TYR H H 7.51 . 1 982 106 86 TYR HA H 5.09 . 1 983 106 86 TYR HB2 H 3.00 . 1 984 106 86 TYR HB3 H 2.85 . 1 985 106 86 TYR HD1 H 6.79 . 1 986 106 86 TYR HD2 H 6.79 . 1 987 106 86 TYR HE1 H 6.66 . 1 988 106 86 TYR HE2 H 6.66 . 1 989 106 86 TYR C C 174.38 . 1 990 106 86 TYR CA C 55.28 . 1 991 106 86 TYR CB C 40.57 . 1 992 106 86 TYR CD1 C 132.89 . 1 993 106 86 TYR CD2 C 132.89 . 1 994 106 86 TYR CE1 C 118.13 . 1 995 106 86 TYR CE2 C 118.13 . 1 996 106 86 TYR N N 115.40 . 1 997 107 87 PHE H H 9.29 . 1 998 107 87 PHE HA H 5.01 . 1 999 107 87 PHE HB2 H 2.80 . 1 1000 107 87 PHE HB3 H 2.68 . 1 1001 107 87 PHE HD1 H 6.90 . 1 1002 107 87 PHE HD2 H 6.90 . 1 1003 107 87 PHE HE1 H 7.16 . 1 1004 107 87 PHE HE2 H 7.16 . 1 1005 107 87 PHE HZ H 7.16 . 1 1006 107 87 PHE C C 173.55 . 1 1007 107 87 PHE CA C 56.96 . 1 1008 107 87 PHE CB C 41.65 . 1 1009 107 87 PHE CD1 C 131.48 . 1 1010 107 87 PHE CD2 C 131.48 . 1 1011 107 87 PHE CE1 C 131.12 . 1 1012 107 87 PHE CE2 C 131.12 . 1 1013 107 87 PHE CZ C 129.38 . 1 1014 107 87 PHE N N 115.81 . 1 1015 108 88 LEU H H 8.71 . 1 1016 108 88 LEU HA H 4.88 . 1 1017 108 88 LEU HB2 H 1.66 . 2 1018 108 88 LEU HB3 H 1.77 . 2 1019 108 88 LEU HD1 H 0.87 . 2 1020 108 88 LEU HD2 H 0.84 . 2 1021 108 88 LEU C C 175.06 . 1 1022 108 88 LEU CA C 54.59 . 1 1023 108 88 LEU CB C 44.20 . 1 1024 108 88 LEU CD1 C 25.21 . 2 1025 108 88 LEU CD2 C 25.58 . 2 1026 108 88 LEU N N 124.16 . 1 1027 109 89 ILE H H 9.24 . 1 1028 109 89 ILE HA H 4.90 . 1 1029 109 89 ILE HB H 2.02 . 1 1030 109 89 ILE HG12 H 0.89 . 1 1031 109 89 ILE HG13 H 0.89 . 1 1032 109 89 ILE HG2 H 0.70 . 1 1033 109 89 ILE HD1 H 0.80 . 1 1034 109 89 ILE C C 174.29 . 1 1035 109 89 ILE CA C 60.63 . 1 1036 109 89 ILE CB C 39.49 . 1 1037 109 89 ILE CG1 C 27.62 . 1 1038 109 89 ILE CG2 C 17.83 . 1 1039 109 89 ILE CD1 C 15.20 . 1 1040 109 89 ILE N N 124.66 . 1 1041 110 90 VAL H H 9.27 . 1 1042 110 90 VAL HA H 4.63 . 1 1043 110 90 VAL HB H 2.03 . 1 1044 110 90 VAL HG1 H 0.92 . 2 1045 110 90 VAL HG2 H 0.92 . 2 1046 110 90 VAL C C 174.52 . 1 1047 110 90 VAL CA C 61.38 . 1 1048 110 90 VAL CB C 34.69 . 1 1049 110 90 VAL CG1 C 21.85 . 2 1050 110 90 VAL CG2 C 21.54 . 1 1051 110 90 VAL N N 126.73 . 1 1052 111 91 ILE H H 8.71 . 1 1053 111 91 ILE HA H 4.67 . 1 1054 111 91 ILE HB H 1.47 . 1 1055 111 91 ILE HG12 H 1.11 . 1 1056 111 91 ILE HG13 H 1.11 . 1 1057 111 91 ILE HG2 H 0.71 . 1 1058 111 91 ILE HD1 H 0.18 . 1 1059 111 91 ILE C C 175.58 . 1 1060 111 91 ILE CA C 61.06 . 1 1061 111 91 ILE CB C 39.21 . 1 1062 111 91 ILE CG1 C 28.76 . 1 1063 111 91 ILE CG2 C 18.85 . 1 1064 111 91 ILE CD1 C 14.44 . 1 1065 111 91 ILE N N 127.59 . 1 1066 112 92 GLN H H 9.51 . 1 1067 112 92 GLN HA H 5.25 . 1 1068 112 92 GLN HB2 H 2.07 . 1 1069 112 92 GLN HB3 H 1.99 . 1 1070 112 92 GLN HG2 H 2.20 . 1 1071 112 92 GLN HG3 H 2.20 . 1 1072 112 92 GLN HE21 H 6.47 . 2 1073 112 92 GLN HE22 H 7.15 . 2 1074 112 92 GLN C C 174.20 . 1 1075 112 92 GLN CA C 53.89 . 1 1076 112 92 GLN CB C 33.72 . 1 1077 112 92 GLN CG C 33.30 . 1 1078 112 92 GLN N N 125.80 . 1 1079 112 92 GLN NE2 N 108.66 . 2 1080 113 93 ASN H H 8.71 . 1 1081 113 93 ASN HA H 4.94 . 1 1082 113 93 ASN HB2 H 2.90 . 2 1083 113 93 ASN HB3 H 2.71 . 2 1084 113 93 ASN HD21 H 6.84 . 2 1085 113 93 ASN HD22 H 7.54 . 2 1086 113 93 ASN C C 173.21 . 1 1087 113 93 ASN CA C 51.51 . 1 1088 113 93 ASN CB C 37.80 . 1 1089 113 93 ASN N N 120.81 . 1 1090 113 93 ASN ND2 N 110.85 . 2 1091 114 94 PRO HA H 4.37 . 2 1092 114 94 PRO HB2 H 2.22 . 2 1093 114 94 PRO HB3 H 1.90 . 2 1094 114 94 PRO HG2 H 2.01 . 2 1095 114 94 PRO HG3 H 1.93 . 2 1096 114 94 PRO HD2 H 3.66 . 2 1097 114 94 PRO HD3 H 3.75 . 2 1098 114 94 PRO C C 176.90 . 1 1099 114 94 PRO CA C 63.36 . 1 1100 114 94 PRO CB C 31.89 . 1 1101 114 94 PRO CG C 27.45 . 1 1102 114 94 PRO CD C 50.34 . 1 1103 115 95 THR H H 8.23 . 1 1104 115 95 THR HA H 4.27 . 2 1105 115 95 THR HB H 4.22 . 2 1106 115 95 THR HG2 H 1.17 . 1 1107 115 95 THR C C 173.69 . 1 1108 115 95 THR CA C 61.88 . 1 1109 115 95 THR CB C 70.23 . 1 1110 115 95 THR CG2 C 21.73 . 1 1111 115 95 THR N N 115.19 . 1 1112 116 96 GLU H H 7.80 . 1 1113 116 96 GLU HA H 4.09 . 1 1114 116 96 GLU C C 180.79 . 1 1115 116 96 GLU CA C 58.09 . 1 1116 116 96 GLU CB C 31.29 . 1 1117 116 96 GLU CG C 36.62 . 1 1118 116 96 GLU N N 127.08 . 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600.13 _Mol_system_component_name 'Km23 homodimer unit one' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 4 VAL H 4 VAL HA 4.35 . . 0.10 2 3JHNHA 6 GLU H 6 GLU HA 4.73 . . 0.06 3 3JHNHA 7 THR H 7 THR HA 3.86 . . 0.06 4 3JHNHA 8 LEU H 8 LEU HA 3.13 . . 0.10 5 3JHNHA 9 LYS H 9 LYS HA 3.32 . . 0.04 6 3JHNHA 10 ARG H 10 ARG HA 4.49 . . 0.03 7 3JHNHA 14 GLN H 14 GLN HA 5.86 . . 0.03 8 3JHNHA 15 LYS H 15 LYS HA 3.21 . . 0.05 9 3JHNHA 17 VAL H 17 VAL HA 4.84 . . 0.04 10 3JHNHA 18 GLN H 18 GLN HA 8.06 . . 0.22 11 3JHNHA 22 VAL H 22 VAL HA 7.13 . . 0.08 12 3JHNHA 24 ASN H 24 ASN HA 7.30 . . 0.11 13 3JHNHA 25 THR H 25 THR HA 3.88 . . 0.19 14 3JHNHA 26 GLU H 26 GLU HA 6.83 . . 0.04 15 3JHNHA 28 ILE H 28 ILE HA 6.38 . . 0.05 16 3JHNHA 31 LYS H 31 LYS HA 5.17 . . 0.05 17 3JHNHA 32 SER H 32 SER HA 5.38 . . 0.07 18 3JHNHA 33 THR H 33 THR HA 8.27 . . 0.10 19 3JHNHA 34 MET H 34 MET HA 8.01 . . 0.06 20 3JHNHA 35 ASP H 35 ASP HA 3.89 . . 0.06 21 3JHNHA 38 THR H 38 THR HA 3.84 . . 0.14 22 3JHNHA 39 THR H 39 THR HA 3.23 . . 0.17 23 3JHNHA 41 GLN H 41 GLN HA 3.87 . . 0.07 24 3JHNHA 43 ALA H 43 ALA HA 2.50 . . 0.10 25 3JHNHA 44 SER H 44 SER HA 4.07 . . 0.06 26 3JHNHA 46 MET H 46 MET HA 4.38 . . 0.30 27 3JHNHA 47 HIS H 47 HIS HA 2.44 . . 0.20 28 3JHNHA 48 SER H 48 SER HA 2.40 . . 0.15 29 3JHNHA 49 PHE H 49 PHE HA 3.83 . . 0.15 30 3JHNHA 50 ILE H 50 ILE HA 3.69 . . 0.24 31 3JHNHA 51 LEU H 51 LEU HA 3.23 . . 0.16 32 3JHNHA 52 LYS H 52 LYS HA 4.38 . . 0.13 33 3JHNHA 53 ALA H 53 ALA HA 3.11 . . 0.11 34 3JHNHA 54 ARG H 54 ARG HA 2.96 . . 0.10 35 3JHNHA 55 SER H 55 SER HA 3.64 . . 0.08 36 3JHNHA 56 THR H 56 THR HA 3.49 . . 0.17 37 3JHNHA 57 VAL H 57 VAL HA 3.56 . . 0.31 38 3JHNHA 60 ILE H 60 ILE HA 6.25 . . 0.11 39 3JHNHA 61 ASP H 61 ASP HA 6.76 . . 0.09 40 3JHNHA 65 ASP H 65 ASP HA 5.31 . . 0.06 41 3JHNHA 67 THR H 67 THR HA 8.58 . . 0.40 42 3JHNHA 68 PHE H 68 PHE HA 4.58 . . 0.14 43 3JHNHA 69 LEU H 69 LEU HA 6.83 . . 0.22 44 3JHNHA 70 ARG H 70 ARG HA 6.75 . . 0.15 45 3JHNHA 71 ILE H 71 ILE HA 7.16 . . 0.12 46 3JHNHA 72 ARG H 72 ARG HA 6.90 . . 0.21 47 3JHNHA 73 SER H 73 SER HA 7.70 . . 0.13 48 3JHNHA 74 LYS H 74 LYS HA 3.63 . . 0.15 49 3JHNHA 75 LYS H 75 LYS HA 7.16 . . 0.08 50 3JHNHA 76 ASN H 76 ASN HA 4.13 . . 0.04 51 3JHNHA 77 GLU H 77 GLU HA 6.31 . . 0.10 52 3JHNHA 78 ILE H 78 ILE HA 7.63 . . 0.12 53 3JHNHA 79 MET H 79 MET HA 7.88 . . 0.14 54 3JHNHA 81 ALA H 81 ALA HA 6.99 . . 0.08 55 3JHNHA 83 ASP H 83 ASP HA 7.30 . . 0.08 56 3JHNHA 84 LYS H 84 LYS HA 5.01 . . 0.05 57 3JHNHA 85 ASP H 85 ASP HA 8.00 . . 0.11 58 3JHNHA 86 TYR H 86 TYR HA 6.19 . . 0.04 59 3JHNHA 87 PHE H 87 PHE HA 7.37 . . 0.13 60 3JHNHA 88 LEU H 88 LEU HA 7.48 . . 0.13 61 3JHNHA 90 VAL H 90 VAL HA 7.90 . . 0.12 62 3JHNHA 91 ILE H 91 ILE HA 6.76 . . 0.11 63 3JHNHA 92 GLN H 92 GLN HA 6.87 . . 0.10 64 3JHNHA 93 ASN H 93 ASN HA 4.35 . . 0.05 65 3JHNHA 95 THR H 95 THR HA 7.39 . . 0.01 stop_ save_