data_11397 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the BACK domain of Kelch repeat and BTB domain-containing protein 4 ; _BMRB_accession_number 11397 _BMRB_flat_file_name bmr11397.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 Imai M. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 579 "13C chemical shifts" 435 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the BACK domain of Kelch repeat and BTB domain-containing protein 4 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Imai M. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Kelch repeat and BTB domain-containing protein 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BACK domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'BACK domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GSSGSSGVQVGNCLQVMWLA DRHSDPELYTAAKHCAKTHL AQLQNTEEFLHLPHRLLTDI ISDGVPCSQNPTEAIEAWIN FNKEEREAFAESLRTSLKEI GENVH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 GLN 10 VAL 11 GLY 12 ASN 13 CYS 14 LEU 15 GLN 16 VAL 17 MET 18 TRP 19 LEU 20 ALA 21 ASP 22 ARG 23 HIS 24 SER 25 ASP 26 PRO 27 GLU 28 LEU 29 TYR 30 THR 31 ALA 32 ALA 33 LYS 34 HIS 35 CYS 36 ALA 37 LYS 38 THR 39 HIS 40 LEU 41 ALA 42 GLN 43 LEU 44 GLN 45 ASN 46 THR 47 GLU 48 GLU 49 PHE 50 LEU 51 HIS 52 LEU 53 PRO 54 HIS 55 ARG 56 LEU 57 LEU 58 THR 59 ASP 60 ILE 61 ILE 62 SER 63 ASP 64 GLY 65 VAL 66 PRO 67 CYS 68 SER 69 GLN 70 ASN 71 PRO 72 THR 73 GLU 74 ALA 75 ILE 76 GLU 77 ALA 78 TRP 79 ILE 80 ASN 81 PHE 82 ASN 83 LYS 84 GLU 85 GLU 86 ARG 87 GLU 88 ALA 89 PHE 90 ALA 91 GLU 92 SER 93 LEU 94 ARG 95 THR 96 SER 97 LEU 98 LYS 99 GLU 100 ILE 101 GLY 102 GLU 103 ASN 104 VAL 105 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2EQX "Solution Structure Of The Back Domain Of Kelch Repeat And Btb Domain-Containing Protein 4" 100.00 105 100.00 100.00 3.15e-71 DBJ BAA91616 "unnamed protein product [Homo sapiens]" 93.33 518 98.98 98.98 3.40e-61 DBJ BAA91880 "unnamed protein product [Homo sapiens]" 93.33 518 100.00 100.00 5.78e-62 DBJ BAB03555 "hypothetical protein [Macaca fascicularis]" 93.33 543 98.98 98.98 9.34e-61 DBJ BAB27317 "unnamed protein product [Mus musculus]" 93.33 518 97.96 98.98 3.11e-60 DBJ BAB29305 "unnamed protein product [Mus musculus]" 93.33 518 97.96 98.98 3.11e-60 EMBL CAD28521 "hypothetical protein [Homo sapiens]" 93.33 518 100.00 100.00 5.48e-62 EMBL CAG33551 "KBTBD4 [Homo sapiens]" 93.33 518 100.00 100.00 5.42e-62 EMBL CAH90011 "hypothetical protein [Pongo abelii]" 93.33 520 97.96 97.96 3.03e-60 EMBL CAH93240 "hypothetical protein [Pongo abelii]" 93.33 518 98.98 98.98 6.20e-61 GB AAH02736 "Kelch repeat and BTB (POZ) domain containing 4 [Homo sapiens]" 93.33 518 100.00 100.00 5.48e-62 GB AAH25103 "Kbtbd4 protein [Mus musculus]" 93.33 534 97.96 98.98 4.36e-60 GB ADZ15413 "kelch repeat and BTB (POZ) domain containing 4 [synthetic construct]" 93.33 518 100.00 100.00 5.48e-62 GB AIC51824 "KBTBD4, partial [synthetic construct]" 93.33 518 100.00 100.00 5.48e-62 GB EAW67898 "kelch repeat and BTB (POZ) domain containing 4, isoform CRA_a [Homo sapiens]" 93.33 543 100.00 100.00 7.65e-62 REF NP_001101216 "kelch repeat and BTB domain-containing protein 4 [Rattus norvegicus]" 93.33 375 96.94 98.98 4.22e-61 REF NP_001126905 "kelch repeat and BTB domain-containing protein 4 [Pongo abelii]" 93.33 543 98.98 98.98 8.77e-61 REF NP_001247465 "kelch repeat and BTB domain-containing protein 4 [Macaca mulatta]" 93.33 534 98.98 98.98 9.00e-61 REF NP_001267133 "kelch repeat and BTB domain-containing protein 4 [Pan troglodytes]" 93.33 518 97.96 97.96 1.21e-59 REF NP_001298045 "kelch repeat and BTB domain-containing protein 4 isoform 1 [Mus musculus]" 93.33 534 97.96 98.98 4.36e-60 SP Q5R4S6 "RecName: Full=Kelch repeat and BTB domain-containing protein 4" 93.33 518 98.98 98.98 6.20e-61 SP Q8R179 "RecName: Full=Kelch repeat and BTB domain-containing protein 4; AltName: Full=BTB and kelch domain-containing protein 4" 93.33 534 97.96 98.98 4.36e-60 SP Q9N010 "RecName: Full=Kelch repeat and BTB domain-containing protein 4" 93.33 543 98.98 98.98 9.34e-61 SP Q9NVX7 "RecName: Full=Kelch repeat and BTB domain-containing protein 4; AltName: Full=BTB and kelch domain-containing protein 4" 93.33 518 100.00 100.00 5.48e-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 $entity_1 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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P060821-14 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.15mM 13C-15N {PROTEIN;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.15 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060702 loop_ _Vendor _Address _Electronic_address 'Delaglio F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'BACK domain' _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 7 7 GLY HA2 H 3.960 0.030 2 2 7 7 GLY C C 173.759 0.300 1 3 7 7 GLY CA C 45.225 0.300 1 4 8 8 VAL H H 8.002 0.030 1 5 8 8 VAL HA H 4.220 0.030 1 6 8 8 VAL HB H 1.953 0.030 1 7 8 8 VAL HG1 H 0.851 0.030 1 8 8 8 VAL HG2 H 0.920 0.030 1 9 8 8 VAL C C 174.695 0.300 1 10 8 8 VAL CA C 62.772 0.300 1 11 8 8 VAL CB C 32.380 0.300 1 12 8 8 VAL CG1 C 21.820 0.300 2 13 8 8 VAL CG2 C 22.373 0.300 2 14 8 8 VAL N N 121.081 0.300 1 15 9 9 GLN H H 9.174 0.030 1 16 9 9 GLN HA H 4.670 0.030 1 17 9 9 GLN HB2 H 2.289 0.030 2 18 9 9 GLN HB3 H 1.880 0.030 2 19 9 9 GLN HE21 H 6.815 0.030 2 20 9 9 GLN HE22 H 7.366 0.030 2 21 9 9 GLN HG2 H 2.343 0.030 2 22 9 9 GLN HG3 H 2.217 0.030 2 23 9 9 GLN C C 176.108 0.300 1 24 9 9 GLN CA C 53.950 0.300 1 25 9 9 GLN CB C 32.001 0.300 1 26 9 9 GLN CG C 33.118 0.300 1 27 9 9 GLN N N 125.974 0.300 1 28 9 9 GLN NE2 N 112.034 0.300 1 29 10 10 VAL H H 8.690 0.030 1 30 10 10 VAL HA H 3.546 0.030 1 31 10 10 VAL HB H 1.483 0.030 1 32 10 10 VAL HG1 H 0.549 0.030 1 33 10 10 VAL HG2 H 0.783 0.030 1 34 10 10 VAL C C 177.248 0.300 1 35 10 10 VAL CA C 66.631 0.300 1 36 10 10 VAL CB C 31.285 0.300 1 37 10 10 VAL CG1 C 22.521 0.300 2 38 10 10 VAL CG2 C 20.162 0.300 2 39 10 10 VAL N N 122.414 0.300 1 40 11 11 GLY H H 8.303 0.030 1 41 11 11 GLY HA2 H 4.051 0.030 2 42 11 11 GLY HA3 H 3.792 0.030 2 43 11 11 GLY C C 174.046 0.300 1 44 11 11 GLY CA C 46.175 0.300 1 45 11 11 GLY N N 103.324 0.300 1 46 12 12 ASN H H 7.483 0.030 1 47 12 12 ASN HA H 5.334 0.030 1 48 12 12 ASN HB2 H 3.277 0.030 2 49 12 12 ASN HB3 H 2.678 0.030 2 50 12 12 ASN HD21 H 6.787 0.030 2 51 12 12 ASN HD22 H 7.320 0.030 2 52 12 12 ASN C C 178.467 0.300 1 53 12 12 ASN CA C 51.905 0.300 1 54 12 12 ASN CB C 39.942 0.300 1 55 12 12 ASN N N 114.062 0.300 1 56 12 12 ASN ND2 N 107.256 0.300 1 57 13 13 CYS H H 7.749 0.030 1 58 13 13 CYS HA H 4.137 0.030 1 59 13 13 CYS HB2 H 2.889 0.030 2 60 13 13 CYS HB3 H 3.384 0.030 2 61 13 13 CYS C C 175.666 0.300 1 62 13 13 CYS CA C 62.195 0.300 1 63 13 13 CYS CB C 26.843 0.300 1 64 13 13 CYS N N 117.116 0.300 1 65 14 14 LEU H H 8.247 0.030 1 66 14 14 LEU HA H 4.227 0.030 1 67 14 14 LEU HB2 H 1.938 0.030 2 68 14 14 LEU HB3 H 1.294 0.030 2 69 14 14 LEU HD1 H 1.057 0.030 1 70 14 14 LEU HD2 H 0.890 0.030 1 71 14 14 LEU HG H 2.195 0.030 1 72 14 14 LEU C C 179.269 0.300 1 73 14 14 LEU CA C 58.045 0.300 1 74 14 14 LEU CB C 39.997 0.300 1 75 14 14 LEU CD1 C 26.745 0.300 2 76 14 14 LEU CD2 C 23.194 0.300 2 77 14 14 LEU CG C 26.482 0.300 1 78 14 14 LEU N N 123.192 0.300 1 79 15 15 GLN H H 8.651 0.030 1 80 15 15 GLN HA H 4.143 0.030 1 81 15 15 GLN HB2 H 2.246 0.030 1 82 15 15 GLN HB3 H 2.246 0.030 1 83 15 15 GLN HE21 H 7.628 0.030 2 84 15 15 GLN HE22 H 6.787 0.030 2 85 15 15 GLN HG2 H 2.469 0.030 1 86 15 15 GLN HG3 H 2.469 0.030 1 87 15 15 GLN C C 179.105 0.300 1 88 15 15 GLN CA C 59.392 0.300 1 89 15 15 GLN CB C 28.233 0.300 1 90 15 15 GLN CG C 34.209 0.300 1 91 15 15 GLN N N 123.229 0.300 1 92 15 15 GLN NE2 N 111.396 0.300 1 93 16 16 VAL H H 8.648 0.030 1 94 16 16 VAL HA H 3.679 0.030 1 95 16 16 VAL HB H 2.007 0.030 1 96 16 16 VAL HG1 H 0.918 0.030 1 97 16 16 VAL HG2 H 1.056 0.030 1 98 16 16 VAL C C 177.809 0.300 1 99 16 16 VAL CA C 66.778 0.300 1 100 16 16 VAL CB C 31.066 0.300 1 101 16 16 VAL CG1 C 22.767 0.300 2 102 16 16 VAL CG2 C 23.139 0.300 2 103 16 16 VAL N N 119.645 0.300 1 104 17 17 MET H H 8.418 0.030 1 105 17 17 MET HA H 3.788 0.030 1 106 17 17 MET HB2 H 2.134 0.030 2 107 17 17 MET HB3 H 2.283 0.030 2 108 17 17 MET HE H 1.857 0.030 1 109 17 17 MET HG2 H 2.483 0.030 2 110 17 17 MET HG3 H 2.111 0.030 2 111 17 17 MET C C 177.471 0.300 1 112 17 17 MET CA C 60.984 0.300 1 113 17 17 MET CB C 33.623 0.300 1 114 17 17 MET CE C 17.812 0.300 1 115 17 17 MET CG C 34.003 0.300 1 116 17 17 MET N N 119.780 0.300 1 117 18 18 TRP H H 7.789 0.030 1 118 18 18 TRP HA H 4.305 0.030 1 119 18 18 TRP HB2 H 3.330 0.030 2 120 18 18 TRP HB3 H 3.526 0.030 2 121 18 18 TRP HD1 H 7.253 0.030 1 122 18 18 TRP HE1 H 10.317 0.030 1 123 18 18 TRP HE3 H 7.581 0.030 1 124 18 18 TRP HH2 H 7.259 0.030 1 125 18 18 TRP HZ2 H 7.542 0.030 1 126 18 18 TRP HZ3 H 7.149 0.030 1 127 18 18 TRP C C 178.583 0.300 1 128 18 18 TRP CA C 61.353 0.300 1 129 18 18 TRP CB C 29.414 0.300 1 130 18 18 TRP CD1 C 127.068 0.300 1 131 18 18 TRP CE3 C 120.591 0.300 1 132 18 18 TRP CH2 C 124.552 0.300 1 133 18 18 TRP CZ2 C 114.598 0.300 1 134 18 18 TRP CZ3 C 121.955 0.300 1 135 18 18 TRP N N 117.573 0.300 1 136 18 18 TRP NE1 N 129.391 0.300 1 137 19 19 LEU H H 8.379 0.030 1 138 19 19 LEU HA H 3.909 0.030 1 139 19 19 LEU HB2 H 1.940 0.030 2 140 19 19 LEU HB3 H 1.660 0.030 2 141 19 19 LEU HD1 H 0.952 0.030 1 142 19 19 LEU HD2 H 0.974 0.030 1 143 19 19 LEU HG H 1.849 0.030 1 144 19 19 LEU C C 178.420 0.300 1 145 19 19 LEU CA C 57.861 0.300 1 146 19 19 LEU CB C 42.835 0.300 1 147 19 19 LEU CD1 C 25.178 0.300 2 148 19 19 LEU CD2 C 23.891 0.300 2 149 19 19 LEU CG C 26.913 0.300 1 150 19 19 LEU N N 120.048 0.300 1 151 20 20 ALA H H 9.203 0.030 1 152 20 20 ALA HA H 4.209 0.030 1 153 20 20 ALA HB H 1.719 0.030 1 154 20 20 ALA C C 179.214 0.300 1 155 20 20 ALA CA C 54.554 0.300 1 156 20 20 ALA CB C 18.714 0.300 1 157 20 20 ALA N N 121.400 0.300 1 158 21 21 ASP H H 8.150 0.030 1 159 21 21 ASP HA H 4.279 0.030 1 160 21 21 ASP HB2 H 2.803 0.030 1 161 21 21 ASP HB3 H 2.803 0.030 1 162 21 21 ASP C C 177.820 0.300 1 163 21 21 ASP CA C 56.518 0.300 1 164 21 21 ASP CB C 42.986 0.300 1 165 21 21 ASP N N 118.457 0.300 1 166 22 22 ARG H H 7.905 0.030 1 167 22 22 ARG HA H 3.771 0.030 1 168 22 22 ARG HB2 H 1.447 0.030 1 169 22 22 ARG HB3 H 1.447 0.030 1 170 22 22 ARG HD2 H 2.676 0.030 2 171 22 22 ARG HD3 H 2.748 0.030 2 172 22 22 ARG HG2 H 1.127 0.030 1 173 22 22 ARG HG3 H 1.127 0.030 1 174 22 22 ARG C C 177.858 0.300 1 175 22 22 ARG CA C 58.341 0.300 1 176 22 22 ARG CB C 29.889 0.300 1 177 22 22 ARG CD C 43.126 0.300 1 178 22 22 ARG CG C 26.326 0.300 1 179 22 22 ARG N N 120.004 0.300 1 180 23 23 HIS H H 8.211 0.030 1 181 23 23 HIS HA H 4.689 0.030 1 182 23 23 HIS HB2 H 3.377 0.030 2 183 23 23 HIS HB3 H 2.988 0.030 2 184 23 23 HIS HD2 H 6.994 0.030 1 185 23 23 HIS HE1 H 7.919 0.030 1 186 23 23 HIS C C 174.452 0.300 1 187 23 23 HIS CA C 55.599 0.300 1 188 23 23 HIS CB C 29.528 0.300 1 189 23 23 HIS CD2 C 120.941 0.300 1 190 23 23 HIS CE1 C 137.854 0.300 1 191 23 23 HIS N N 115.546 0.300 1 192 24 24 SER H H 7.632 0.030 1 193 24 24 SER HA H 4.060 0.030 1 194 24 24 SER HB2 H 4.012 0.030 2 195 24 24 SER HB3 H 3.942 0.030 2 196 24 24 SER C C 173.049 0.300 1 197 24 24 SER CA C 58.706 0.300 1 198 24 24 SER CB C 61.869 0.300 1 199 24 24 SER N N 114.363 0.300 1 200 25 25 ASP H H 8.384 0.030 1 201 25 25 ASP HA H 5.255 0.030 1 202 25 25 ASP HB2 H 3.050 0.030 2 203 25 25 ASP HB3 H 2.469 0.030 2 204 25 25 ASP C C 173.836 0.300 1 205 25 25 ASP CA C 50.519 0.300 1 206 25 25 ASP CB C 41.808 0.300 1 207 25 25 ASP N N 120.078 0.300 1 208 26 26 PRO HA H 4.416 0.030 1 209 26 26 PRO HB2 H 2.348 0.030 2 210 26 26 PRO HB3 H 2.076 0.030 2 211 26 26 PRO HD2 H 3.711 0.030 2 212 26 26 PRO HD3 H 4.046 0.030 2 213 26 26 PRO HG2 H 2.152 0.030 2 214 26 26 PRO HG3 H 2.037 0.030 2 215 26 26 PRO C C 179.682 0.300 1 216 26 26 PRO CA C 64.910 0.300 1 217 26 26 PRO CB C 32.052 0.300 1 218 26 26 PRO CD C 51.074 0.300 1 219 26 26 PRO CG C 27.245 0.300 1 220 27 27 GLU H H 8.291 0.030 1 221 27 27 GLU HA H 4.152 0.030 1 222 27 27 GLU HB2 H 2.078 0.030 2 223 27 27 GLU HB3 H 2.167 0.030 2 224 27 27 GLU HG2 H 2.380 0.030 2 225 27 27 GLU HG3 H 2.328 0.030 2 226 27 27 GLU C C 179.472 0.300 1 227 27 27 GLU CA C 59.847 0.300 1 228 27 27 GLU CB C 29.269 0.300 1 229 27 27 GLU CG C 36.885 0.300 1 230 27 27 GLU N N 119.868 0.300 1 231 28 28 LEU H H 7.676 0.030 1 232 28 28 LEU HA H 4.172 0.030 1 233 28 28 LEU HB2 H 1.556 0.030 1 234 28 28 LEU HB3 H 1.556 0.030 1 235 28 28 LEU HD1 H 0.893 0.030 1 236 28 28 LEU HD2 H 0.883 0.030 1 237 28 28 LEU HG H 1.454 0.030 1 238 28 28 LEU C C 177.927 0.300 1 239 28 28 LEU CA C 57.077 0.300 1 240 28 28 LEU CB C 42.179 0.300 1 241 28 28 LEU CD1 C 25.041 0.300 2 242 28 28 LEU CD2 C 23.388 0.300 2 243 28 28 LEU CG C 26.730 0.300 1 244 28 28 LEU N N 123.137 0.300 1 245 29 29 TYR H H 8.251 0.030 1 246 29 29 TYR HA H 3.757 0.030 1 247 29 29 TYR HB2 H 3.067 0.030 2 248 29 29 TYR HB3 H 2.974 0.030 2 249 29 29 TYR HD1 H 7.210 0.030 1 250 29 29 TYR HD2 H 7.210 0.030 1 251 29 29 TYR HE1 H 6.682 0.030 1 252 29 29 TYR HE2 H 6.682 0.030 1 253 29 29 TYR C C 177.049 0.300 1 254 29 29 TYR CA C 63.272 0.300 1 255 29 29 TYR CB C 39.156 0.300 1 256 29 29 TYR CD1 C 133.340 0.300 1 257 29 29 TYR CD2 C 133.340 0.300 1 258 29 29 TYR CE1 C 118.189 0.300 1 259 29 29 TYR CE2 C 118.189 0.300 1 260 29 29 TYR N N 119.230 0.300 1 261 30 30 THR H H 8.321 0.030 1 262 30 30 THR HA H 3.586 0.030 1 263 30 30 THR HB H 4.301 0.030 1 264 30 30 THR HG2 H 1.182 0.030 1 265 30 30 THR C C 175.653 0.300 1 266 30 30 THR CA C 67.369 0.300 1 267 30 30 THR CB C 68.750 0.300 1 268 30 30 THR CG2 C 21.763 0.300 1 269 30 30 THR N N 114.452 0.300 1 270 31 31 ALA H H 7.758 0.030 1 271 31 31 ALA HA H 4.175 0.030 1 272 31 31 ALA HB H 1.545 0.030 1 273 31 31 ALA C C 181.046 0.300 1 274 31 31 ALA CA C 55.261 0.300 1 275 31 31 ALA CB C 18.209 0.300 1 276 31 31 ALA N N 123.885 0.300 1 277 32 32 ALA H H 8.533 0.030 1 278 32 32 ALA HA H 3.942 0.030 1 279 32 32 ALA HB H 1.545 0.030 1 280 32 32 ALA C C 178.185 0.300 1 281 32 32 ALA CA C 55.617 0.300 1 282 32 32 ALA CB C 18.095 0.300 1 283 32 32 ALA N N 122.839 0.300 1 284 33 33 LYS H H 8.513 0.030 1 285 33 33 LYS HA H 4.013 0.030 1 286 33 33 LYS HB2 H 1.769 0.030 2 287 33 33 LYS HB3 H 1.294 0.030 2 288 33 33 LYS HD2 H 1.475 0.030 2 289 33 33 LYS HD3 H 1.655 0.030 2 290 33 33 LYS HE2 H 2.853 0.030 1 291 33 33 LYS HE3 H 2.853 0.030 1 292 33 33 LYS HG2 H 1.226 0.030 2 293 33 33 LYS HG3 H 1.297 0.030 2 294 33 33 LYS C C 177.847 0.300 1 295 33 33 LYS CA C 59.892 0.300 1 296 33 33 LYS CB C 31.862 0.300 1 297 33 33 LYS CD C 29.323 0.300 1 298 33 33 LYS CE C 41.521 0.300 1 299 33 33 LYS CG C 24.650 0.300 1 300 33 33 LYS N N 120.385 0.300 1 301 34 34 HIS H H 8.343 0.030 1 302 34 34 HIS HA H 4.238 0.030 1 303 34 34 HIS HB2 H 3.284 0.030 2 304 34 34 HIS HB3 H 3.207 0.030 2 305 34 34 HIS HD2 H 7.015 0.030 1 306 34 34 HIS HE1 H 7.843 0.030 1 307 34 34 HIS C C 178.113 0.300 1 308 34 34 HIS CA C 59.603 0.300 1 309 34 34 HIS CB C 30.305 0.300 1 310 34 34 HIS CD2 C 118.315 0.300 1 311 34 34 HIS CE1 C 138.478 0.300 1 312 34 34 HIS N N 118.187 0.300 1 313 35 35 CYS H H 7.841 0.030 1 314 35 35 CYS HA H 4.117 0.030 1 315 35 35 CYS HB2 H 2.813 0.030 2 316 35 35 CYS HB3 H 2.996 0.030 2 317 35 35 CYS C C 176.552 0.300 1 318 35 35 CYS CA C 62.934 0.300 1 319 35 35 CYS CB C 26.583 0.300 1 320 35 35 CYS N N 120.997 0.300 1 321 36 36 ALA H H 8.491 0.030 1 322 36 36 ALA HA H 4.032 0.030 1 323 36 36 ALA HB H 1.340 0.030 1 324 36 36 ALA C C 179.038 0.300 1 325 36 36 ALA CA C 55.425 0.300 1 326 36 36 ALA CB C 18.635 0.300 1 327 36 36 ALA N N 122.174 0.300 1 328 37 37 LYS H H 8.398 0.030 1 329 37 37 LYS HA H 3.858 0.030 1 330 37 37 LYS HB2 H 1.831 0.030 2 331 37 37 LYS HB3 H 1.989 0.030 2 332 37 37 LYS HD2 H 1.674 0.030 2 333 37 37 LYS HD3 H 1.841 0.030 2 334 37 37 LYS HE2 H 2.917 0.030 1 335 37 37 LYS HE3 H 2.917 0.030 1 336 37 37 LYS HG2 H 1.375 0.030 2 337 37 37 LYS HG3 H 1.948 0.030 2 338 37 37 LYS C C 176.937 0.300 1 339 37 37 LYS CA C 59.424 0.300 1 340 37 37 LYS CB C 32.761 0.300 1 341 37 37 LYS CD C 30.103 0.300 1 342 37 37 LYS CE C 42.370 0.300 1 343 37 37 LYS CG C 25.430 0.300 1 344 37 37 LYS N N 114.271 0.300 1 345 38 38 THR H H 7.342 0.030 1 346 38 38 THR HA H 3.819 0.030 1 347 38 38 THR HB H 4.100 0.030 1 348 38 38 THR HG2 H 0.917 0.030 1 349 38 38 THR C C 174.245 0.300 1 350 38 38 THR CA C 63.889 0.300 1 351 38 38 THR CB C 69.734 0.300 1 352 38 38 THR CG2 C 21.878 0.300 1 353 38 38 THR N N 107.793 0.300 1 354 39 39 HIS H H 7.439 0.030 1 355 39 39 HIS HA H 4.924 0.030 1 356 39 39 HIS HB2 H 3.604 0.030 2 357 39 39 HIS HB3 H 2.630 0.030 2 358 39 39 HIS HD2 H 7.363 0.030 1 359 39 39 HIS C C 175.692 0.300 1 360 39 39 HIS CA C 55.726 0.300 1 361 39 39 HIS CB C 29.283 0.300 1 362 39 39 HIS CD2 C 123.576 0.300 1 363 39 39 HIS N N 116.334 0.300 1 364 40 40 LEU H H 6.739 0.030 1 365 40 40 LEU HA H 3.867 0.030 1 366 40 40 LEU HB2 H 1.748 0.030 1 367 40 40 LEU HB3 H 1.748 0.030 1 368 40 40 LEU HD1 H 0.741 0.030 1 369 40 40 LEU HD2 H 0.750 0.030 1 370 40 40 LEU HG H 1.612 0.030 1 371 40 40 LEU C C 178.008 0.300 1 372 40 40 LEU CA C 58.639 0.300 1 373 40 40 LEU CB C 42.667 0.300 1 374 40 40 LEU CD1 C 26.468 0.300 2 375 40 40 LEU CD2 C 23.554 0.300 2 376 40 40 LEU CG C 26.873 0.300 1 377 40 40 LEU N N 123.245 0.300 1 378 41 41 ALA H H 8.973 0.030 1 379 41 41 ALA HA H 4.143 0.030 1 380 41 41 ALA HB H 1.357 0.030 1 381 41 41 ALA C C 180.203 0.300 1 382 41 41 ALA CA C 55.243 0.300 1 383 41 41 ALA CB C 17.852 0.300 1 384 41 41 ALA N N 120.184 0.300 1 385 42 42 GLN H H 7.783 0.030 1 386 42 42 GLN HA H 4.322 0.030 1 387 42 42 GLN HB2 H 2.240 0.030 2 388 42 42 GLN HB3 H 2.166 0.030 2 389 42 42 GLN HE21 H 6.928 0.030 2 390 42 42 GLN HE22 H 7.697 0.030 2 391 42 42 GLN HG2 H 2.526 0.030 2 392 42 42 GLN HG3 H 2.467 0.030 2 393 42 42 GLN C C 178.124 0.300 1 394 42 42 GLN CA C 57.372 0.300 1 395 42 42 GLN CB C 29.502 0.300 1 396 42 42 GLN CG C 34.370 0.300 1 397 42 42 GLN N N 115.045 0.300 1 398 42 42 GLN NE2 N 111.526 0.300 1 399 43 43 LEU H H 7.872 0.030 1 400 43 43 LEU HA H 4.291 0.030 1 401 43 43 LEU HB2 H 1.678 0.030 2 402 43 43 LEU HB3 H 1.298 0.030 2 403 43 43 LEU HD1 H 0.961 0.030 1 404 43 43 LEU HD2 H 0.937 0.030 1 405 43 43 LEU HG H 1.706 0.030 1 406 43 43 LEU C C 179.262 0.300 1 407 43 43 LEU CA C 55.649 0.300 1 408 43 43 LEU CB C 43.354 0.300 1 409 43 43 LEU CD1 C 23.147 0.300 2 410 43 43 LEU CD2 C 26.714 0.300 2 411 43 43 LEU CG C 26.433 0.300 1 412 43 43 LEU N N 117.892 0.300 1 413 44 44 GLN H H 7.434 0.030 1 414 44 44 GLN HA H 3.231 0.030 1 415 44 44 GLN HB2 H 1.541 0.030 2 416 44 44 GLN HB3 H 1.852 0.030 2 417 44 44 GLN HE21 H 6.623 0.030 2 418 44 44 GLN HE22 H 6.803 0.030 2 419 44 44 GLN HG2 H 2.394 0.030 2 420 44 44 GLN HG3 H 1.831 0.030 2 421 44 44 GLN C C 172.906 0.300 1 422 44 44 GLN CA C 57.881 0.300 1 423 44 44 GLN CB C 28.918 0.300 1 424 44 44 GLN CG C 32.924 0.300 1 425 44 44 GLN N N 116.641 0.300 1 426 44 44 GLN NE2 N 108.905 0.300 1 427 45 45 ASN H H 7.489 0.030 1 428 45 45 ASN HA H 5.091 0.030 1 429 45 45 ASN HB2 H 3.003 0.030 2 430 45 45 ASN HB3 H 2.722 0.030 2 431 45 45 ASN HD21 H 7.530 0.030 2 432 45 45 ASN HD22 H 6.947 0.030 2 433 45 45 ASN C C 175.560 0.300 1 434 45 45 ASN CA C 52.474 0.300 1 435 45 45 ASN CB C 39.246 0.300 1 436 45 45 ASN N N 113.888 0.300 1 437 45 45 ASN ND2 N 112.608 0.300 1 438 46 46 THR H H 7.915 0.030 1 439 46 46 THR HA H 4.700 0.030 1 440 46 46 THR HB H 4.665 0.030 1 441 46 46 THR HG2 H 1.447 0.030 1 442 46 46 THR C C 174.822 0.300 1 443 46 46 THR CA C 60.649 0.300 1 444 46 46 THR CB C 72.602 0.300 1 445 46 46 THR CG2 C 22.267 0.300 1 446 46 46 THR N N 110.505 0.300 1 447 47 47 GLU H H 9.095 0.030 1 448 47 47 GLU HA H 3.838 0.030 1 449 47 47 GLU HB2 H 2.058 0.030 2 450 47 47 GLU HB3 H 1.988 0.030 2 451 47 47 GLU HG2 H 2.229 0.030 2 452 47 47 GLU HG3 H 2.338 0.030 2 453 47 47 GLU C C 178.729 0.300 1 454 47 47 GLU CA C 59.961 0.300 1 455 47 47 GLU CB C 29.828 0.300 1 456 47 47 GLU CG C 36.856 0.300 1 457 47 47 GLU N N 123.356 0.300 1 458 48 48 GLU H H 9.070 0.030 1 459 48 48 GLU HA H 3.944 0.030 1 460 48 48 GLU HB2 H 1.915 0.030 2 461 48 48 GLU HB3 H 2.175 0.030 2 462 48 48 GLU HG2 H 2.307 0.030 2 463 48 48 GLU HG3 H 2.540 0.030 2 464 48 48 GLU C C 178.644 0.300 1 465 48 48 GLU CA C 60.291 0.300 1 466 48 48 GLU CB C 29.400 0.300 1 467 48 48 GLU CG C 37.409 0.300 1 468 48 48 GLU N N 116.846 0.300 1 469 49 49 PHE H H 7.372 0.030 1 470 49 49 PHE HA H 4.019 0.030 1 471 49 49 PHE HB2 H 3.258 0.030 2 472 49 49 PHE HB3 H 2.797 0.030 2 473 49 49 PHE HD1 H 7.104 0.030 1 474 49 49 PHE HD2 H 7.104 0.030 1 475 49 49 PHE HE1 H 7.254 0.030 1 476 49 49 PHE HE2 H 7.254 0.030 1 477 49 49 PHE HZ H 7.008 0.030 1 478 49 49 PHE C C 176.588 0.300 1 479 49 49 PHE CA C 61.466 0.300 1 480 49 49 PHE CB C 40.582 0.300 1 481 49 49 PHE CD1 C 132.073 0.300 1 482 49 49 PHE CD2 C 132.073 0.300 1 483 49 49 PHE CE1 C 131.005 0.300 1 484 49 49 PHE CE2 C 131.005 0.300 1 485 49 49 PHE CZ C 129.899 0.300 1 486 49 49 PHE N N 118.090 0.300 1 487 50 50 LEU H H 7.668 0.030 1 488 50 50 LEU HA H 3.637 0.030 1 489 50 50 LEU HB2 H 1.041 0.030 2 490 50 50 LEU HB3 H 0.004 0.030 2 491 50 50 LEU HD1 H 0.922 0.030 1 492 50 50 LEU HD2 H 0.748 0.030 1 493 50 50 LEU HG H 1.931 0.030 1 494 50 50 LEU C C 177.441 0.300 1 495 50 50 LEU CA C 57.424 0.300 1 496 50 50 LEU CB C 39.245 0.300 1 497 50 50 LEU CD1 C 21.921 0.300 2 498 50 50 LEU CD2 C 25.393 0.300 2 499 50 50 LEU CG C 26.252 0.300 1 500 50 50 LEU N N 117.601 0.300 1 501 51 51 HIS H H 7.503 0.030 1 502 51 51 HIS HA H 4.318 0.030 1 503 51 51 HIS HB2 H 3.478 0.030 2 504 51 51 HIS HB3 H 2.854 0.030 2 505 51 51 HIS HD2 H 7.037 0.030 1 506 51 51 HIS C C 174.241 0.300 1 507 51 51 HIS CA C 56.053 0.300 1 508 51 51 HIS CB C 29.947 0.300 1 509 51 51 HIS CD2 C 120.087 0.300 1 510 51 51 HIS N N 112.487 0.300 1 511 52 52 LEU H H 7.649 0.030 1 512 52 52 LEU HA H 4.427 0.030 1 513 52 52 LEU HB2 H 1.808 0.030 2 514 52 52 LEU HB3 H 1.395 0.030 2 515 52 52 LEU HD1 H 0.781 0.030 1 516 52 52 LEU HD2 H 0.823 0.030 1 517 52 52 LEU HG H 2.082 0.030 1 518 52 52 LEU C C 175.933 0.300 1 519 52 52 LEU CA C 54.187 0.300 1 520 52 52 LEU CB C 43.602 0.300 1 521 52 52 LEU CD1 C 25.222 0.300 2 522 52 52 LEU CD2 C 26.187 0.300 2 523 52 52 LEU CG C 26.043 0.300 1 524 52 52 LEU N N 124.933 0.300 1 525 53 53 PRO HA H 4.834 0.030 1 526 53 53 PRO HB2 H 1.879 0.030 2 527 53 53 PRO HB3 H 2.692 0.030 2 528 53 53 PRO HD2 H 3.467 0.030 2 529 53 53 PRO HD3 H 4.175 0.030 2 530 53 53 PRO HG2 H 2.191 0.030 2 531 53 53 PRO HG3 H 1.999 0.030 2 532 53 53 PRO C C 177.397 0.300 1 533 53 53 PRO CA C 62.339 0.300 1 534 53 53 PRO CB C 33.076 0.300 1 535 53 53 PRO CD C 51.052 0.300 1 536 53 53 PRO CG C 28.010 0.300 1 537 54 54 HIS H H 9.258 0.030 1 538 54 54 HIS HA H 3.528 0.030 1 539 54 54 HIS HB2 H 2.897 0.030 2 540 54 54 HIS HB3 H 2.780 0.030 2 541 54 54 HIS HD2 H 6.182 0.030 1 542 54 54 HIS HE1 H 7.514 0.030 1 543 54 54 HIS C C 177.198 0.300 1 544 54 54 HIS CA C 60.463 0.300 1 545 54 54 HIS CB C 30.873 0.300 1 546 54 54 HIS CD2 C 116.891 0.300 1 547 54 54 HIS CE1 C 138.147 0.300 1 548 54 54 HIS N N 124.707 0.300 1 549 55 55 ARG H H 8.771 0.030 1 550 55 55 ARG HA H 3.760 0.030 1 551 55 55 ARG HB2 H 1.842 0.030 2 552 55 55 ARG HB3 H 1.597 0.030 2 553 55 55 ARG HD2 H 3.126 0.030 2 554 55 55 ARG HD3 H 3.255 0.030 2 555 55 55 ARG HG2 H 1.480 0.030 1 556 55 55 ARG HG3 H 1.480 0.030 1 557 55 55 ARG C C 177.437 0.300 1 558 55 55 ARG CA C 59.210 0.300 1 559 55 55 ARG CB C 29.960 0.300 1 560 55 55 ARG CD C 43.037 0.300 1 561 55 55 ARG CG C 27.150 0.300 1 562 55 55 ARG N N 117.975 0.300 1 563 56 56 LEU H H 6.606 0.030 1 564 56 56 LEU HA H 4.209 0.030 1 565 56 56 LEU HB2 H 1.598 0.030 1 566 56 56 LEU HB3 H 1.598 0.030 1 567 56 56 LEU HD1 H 0.982 0.030 1 568 56 56 LEU HD2 H 0.894 0.030 1 569 56 56 LEU HG H 1.929 0.030 1 570 56 56 LEU C C 177.932 0.300 1 571 56 56 LEU CA C 57.872 0.300 1 572 56 56 LEU CB C 41.738 0.300 1 573 56 56 LEU CD1 C 24.404 0.300 2 574 56 56 LEU CD2 C 24.695 0.300 2 575 56 56 LEU CG C 29.607 0.300 1 576 56 56 LEU N N 117.408 0.300 1 577 57 57 LEU H H 7.393 0.030 1 578 57 57 LEU HA H 3.682 0.030 1 579 57 57 LEU HB2 H 1.054 0.030 2 580 57 57 LEU HB3 H 0.438 0.030 2 581 57 57 LEU HD1 H 0.506 0.030 1 582 57 57 LEU HD2 H -0.535 0.030 1 583 57 57 LEU HG H 0.823 0.030 1 584 57 57 LEU C C 178.425 0.300 1 585 57 57 LEU CA C 57.946 0.300 1 586 57 57 LEU CB C 40.630 0.300 1 587 57 57 LEU CD1 C 23.005 0.300 2 588 57 57 LEU CD2 C 25.066 0.300 2 589 57 57 LEU CG C 26.158 0.300 1 590 57 57 LEU N N 119.099 0.300 1 591 58 58 THR H H 8.216 0.030 1 592 58 58 THR HA H 3.457 0.030 1 593 58 58 THR HB H 3.834 0.030 1 594 58 58 THR HG2 H 0.945 0.030 1 595 58 58 THR C C 176.089 0.300 1 596 58 58 THR CA C 66.599 0.300 1 597 58 58 THR CB C 68.225 0.300 1 598 58 58 THR CG2 C 21.230 0.300 1 599 58 58 THR N N 112.438 0.300 1 600 59 59 ASP H H 7.251 0.030 1 601 59 59 ASP HA H 4.437 0.030 1 602 59 59 ASP HB2 H 2.868 0.030 2 603 59 59 ASP HB3 H 2.536 0.030 2 604 59 59 ASP C C 177.716 0.300 1 605 59 59 ASP CA C 57.233 0.300 1 606 59 59 ASP CB C 40.350 0.300 1 607 59 59 ASP N N 122.744 0.300 1 608 60 60 ILE H H 7.468 0.030 1 609 60 60 ILE HA H 3.417 0.030 1 610 60 60 ILE HB H 1.964 0.030 1 611 60 60 ILE HD1 H 0.713 0.030 1 612 60 60 ILE HG12 H 0.707 0.030 2 613 60 60 ILE HG13 H 1.956 0.030 2 614 60 60 ILE HG2 H 0.740 0.030 1 615 60 60 ILE C C 177.060 0.300 1 616 60 60 ILE CA C 66.350 0.300 1 617 60 60 ILE CB C 38.832 0.300 1 618 60 60 ILE CD1 C 14.331 0.300 1 619 60 60 ILE CG1 C 29.582 0.300 1 620 60 60 ILE CG2 C 17.120 0.300 1 621 60 60 ILE N N 117.239 0.300 1 622 61 61 ILE H H 7.764 0.030 1 623 61 61 ILE HA H 3.981 0.030 1 624 61 61 ILE HB H 2.052 0.030 1 625 61 61 ILE HD1 H 0.769 0.030 1 626 61 61 ILE HG12 H 1.445 0.030 2 627 61 61 ILE HG13 H 1.355 0.030 2 628 61 61 ILE HG2 H 0.838 0.030 1 629 61 61 ILE C C 177.499 0.300 1 630 61 61 ILE CA C 63.162 0.300 1 631 61 61 ILE CB C 37.377 0.300 1 632 61 61 ILE CD1 C 14.372 0.300 1 633 61 61 ILE CG1 C 26.335 0.300 1 634 61 61 ILE CG2 C 18.288 0.300 1 635 61 61 ILE N N 109.871 0.300 1 636 62 62 SER H H 8.008 0.030 1 637 62 62 SER HA H 4.594 0.030 1 638 62 62 SER HB2 H 3.923 0.030 2 639 62 62 SER HB3 H 4.072 0.030 2 640 62 62 SER C C 174.572 0.300 1 641 62 62 SER CA C 59.787 0.300 1 642 62 62 SER CB C 63.981 0.300 1 643 62 62 SER N N 114.782 0.300 1 644 63 63 ASP H H 7.596 0.030 1 645 63 63 ASP HA H 4.723 0.030 1 646 63 63 ASP HB2 H 2.656 0.030 2 647 63 63 ASP HB3 H 2.855 0.030 2 648 63 63 ASP C C 176.210 0.300 1 649 63 63 ASP CA C 55.070 0.300 1 650 63 63 ASP CB C 42.990 0.300 1 651 63 63 ASP N N 119.874 0.300 1 652 64 64 GLY H H 7.333 0.030 1 653 64 64 GLY HA2 H 3.777 0.030 2 654 64 64 GLY HA3 H 4.213 0.030 2 655 64 64 GLY CA C 45.482 0.300 1 656 64 64 GLY N N 107.014 0.300 1 657 65 65 VAL H H 8.870 0.030 1 658 65 65 VAL HA H 4.346 0.030 1 659 65 65 VAL HB H 1.922 0.030 1 660 65 65 VAL HG1 H 1.031 0.030 1 661 65 65 VAL HG2 H 1.139 0.030 1 662 65 65 VAL CA C 59.079 0.300 1 663 65 65 VAL CB C 34.853 0.300 1 664 65 65 VAL CG1 C 22.690 0.300 2 665 65 65 VAL CG2 C 21.393 0.300 2 666 65 65 VAL N N 125.610 0.300 1 667 66 66 PRO HA H 4.642 0.030 1 668 66 66 PRO HB2 H 2.497 0.030 2 669 66 66 PRO HB3 H 1.986 0.030 2 670 66 66 PRO HD2 H 3.799 0.030 2 671 66 66 PRO HD3 H 3.608 0.030 2 672 66 66 PRO HG2 H 2.104 0.030 2 673 66 66 PRO HG3 H 1.996 0.030 2 674 66 66 PRO C C 178.390 0.300 1 675 66 66 PRO CA C 63.274 0.300 1 676 66 66 PRO CB C 32.570 0.300 1 677 66 66 PRO CD C 51.126 0.300 1 678 66 66 PRO CG C 27.984 0.300 1 679 67 67 CYS H H 8.836 0.030 1 680 67 67 CYS HA H 4.309 0.030 1 681 67 67 CYS HB2 H 3.084 0.030 1 682 67 67 CYS HB3 H 3.084 0.030 1 683 67 67 CYS C C 176.687 0.300 1 684 67 67 CYS CA C 61.288 0.300 1 685 67 67 CYS CB C 27.433 0.300 1 686 67 67 CYS N N 122.942 0.300 1 687 68 68 SER H H 8.335 0.030 1 688 68 68 SER HA H 4.309 0.030 1 689 68 68 SER HB2 H 4.016 0.030 1 690 68 68 SER HB3 H 4.016 0.030 1 691 68 68 SER C C 175.038 0.300 1 692 68 68 SER CA C 59.602 0.300 1 693 68 68 SER CB C 62.603 0.300 1 694 68 68 SER N N 115.832 0.300 1 695 69 69 GLN H H 7.992 0.030 1 696 69 69 GLN HA H 4.259 0.030 1 697 69 69 GLN HB2 H 2.413 0.030 2 698 69 69 GLN HB3 H 1.852 0.030 2 699 69 69 GLN HE21 H 6.623 0.030 2 700 69 69 GLN HE22 H 7.282 0.030 2 701 69 69 GLN HG2 H 2.230 0.030 2 702 69 69 GLN HG3 H 2.468 0.030 2 703 69 69 GLN C C 173.217 0.300 1 704 69 69 GLN CA C 54.072 0.300 1 705 69 69 GLN CB C 28.297 0.300 1 706 69 69 GLN CG C 33.636 0.300 1 707 69 69 GLN N N 117.984 0.300 1 708 69 69 GLN NE2 N 114.548 0.300 1 709 70 70 ASN H H 7.923 0.030 1 710 70 70 ASN HA H 4.710 0.030 1 711 70 70 ASN HB2 H 3.142 0.030 2 712 70 70 ASN HB3 H 2.797 0.030 2 713 70 70 ASN HD21 H 7.512 0.030 2 714 70 70 ASN HD22 H 6.736 0.030 2 715 70 70 ASN C C 173.343 0.300 1 716 70 70 ASN CA C 53.333 0.300 1 717 70 70 ASN CB C 37.751 0.300 1 718 70 70 ASN N N 112.850 0.300 1 719 70 70 ASN ND2 N 111.843 0.300 1 720 71 71 PRO HA H 4.255 0.030 1 721 71 71 PRO HB2 H 2.023 0.030 2 722 71 71 PRO HB3 H 1.963 0.030 2 723 71 71 PRO HD2 H 3.414 0.030 2 724 71 71 PRO HD3 H 4.069 0.030 2 725 71 71 PRO HG2 H 2.223 0.030 2 726 71 71 PRO HG3 H 1.918 0.030 2 727 71 71 PRO C C 177.753 0.300 1 728 71 71 PRO CA C 64.697 0.300 1 729 71 71 PRO CB C 31.427 0.300 1 730 71 71 PRO CD C 51.309 0.300 1 731 71 71 PRO CG C 28.077 0.300 1 732 72 72 THR H H 8.508 0.030 1 733 72 72 THR HA H 4.202 0.030 1 734 72 72 THR HB H 3.874 0.030 1 735 72 72 THR HG2 H 1.281 0.030 1 736 72 72 THR C C 176.637 0.300 1 737 72 72 THR CA C 67.967 0.300 1 738 72 72 THR CB C 67.515 0.300 1 739 72 72 THR CG2 C 22.071 0.300 1 740 72 72 THR N N 114.247 0.300 1 741 73 73 GLU H H 7.951 0.030 1 742 73 73 GLU HA H 4.075 0.030 1 743 73 73 GLU HB2 H 2.233 0.030 2 744 73 73 GLU HB3 H 2.154 0.030 2 745 73 73 GLU HG2 H 2.400 0.030 2 746 73 73 GLU HG3 H 2.372 0.030 2 747 73 73 GLU C C 178.992 0.300 1 748 73 73 GLU CA C 59.749 0.300 1 749 73 73 GLU CB C 29.209 0.300 1 750 73 73 GLU CG C 37.216 0.300 1 751 73 73 GLU N N 121.776 0.300 1 752 74 74 ALA H H 7.514 0.030 1 753 74 74 ALA HA H 4.041 0.030 1 754 74 74 ALA HB H 1.463 0.030 1 755 74 74 ALA C C 179.217 0.300 1 756 74 74 ALA CA C 55.438 0.300 1 757 74 74 ALA CB C 18.165 0.300 1 758 74 74 ALA N N 123.303 0.300 1 759 75 75 ILE H H 8.098 0.030 1 760 75 75 ILE HA H 3.783 0.030 1 761 75 75 ILE HB H 2.111 0.030 1 762 75 75 ILE HD1 H 0.896 0.030 1 763 75 75 ILE HG12 H 1.050 0.030 2 764 75 75 ILE HG13 H 1.930 0.030 2 765 75 75 ILE HG2 H 1.040 0.030 1 766 75 75 ILE C C 177.596 0.300 1 767 75 75 ILE CA C 66.189 0.300 1 768 75 75 ILE CB C 38.498 0.300 1 769 75 75 ILE CD1 C 14.986 0.300 1 770 75 75 ILE CG1 C 29.582 0.300 1 771 75 75 ILE CG2 C 18.533 0.300 1 772 75 75 ILE N N 116.861 0.300 1 773 76 76 GLU H H 7.883 0.030 1 774 76 76 GLU HA H 4.119 0.030 1 775 76 76 GLU HB2 H 2.076 0.030 2 776 76 76 GLU HB3 H 2.168 0.030 2 777 76 76 GLU HG2 H 2.467 0.030 1 778 76 76 GLU HG3 H 2.467 0.030 1 779 76 76 GLU C C 178.382 0.300 1 780 76 76 GLU CA C 59.460 0.300 1 781 76 76 GLU CB C 29.063 0.300 1 782 76 76 GLU CG C 36.052 0.300 1 783 76 76 GLU N N 117.953 0.300 1 784 77 77 ALA H H 8.271 0.030 1 785 77 77 ALA HA H 4.234 0.030 1 786 77 77 ALA HB H 1.731 0.030 1 787 77 77 ALA C C 180.260 0.300 1 788 77 77 ALA CA C 55.273 0.300 1 789 77 77 ALA CB C 17.977 0.300 1 790 77 77 ALA N N 121.398 0.300 1 791 78 78 TRP H H 8.403 0.030 1 792 78 78 TRP HA H 3.925 0.030 1 793 78 78 TRP HB2 H 3.258 0.030 2 794 78 78 TRP HB3 H 3.570 0.030 2 795 78 78 TRP HD1 H 6.986 0.030 1 796 78 78 TRP HE1 H 10.578 0.030 1 797 78 78 TRP HE3 H 7.399 0.030 1 798 78 78 TRP HH2 H 6.966 0.030 1 799 78 78 TRP HZ2 H 7.432 0.030 1 800 78 78 TRP HZ3 H 6.994 0.030 1 801 78 78 TRP C C 179.625 0.300 1 802 78 78 TRP CA C 63.866 0.300 1 803 78 78 TRP CB C 28.795 0.300 1 804 78 78 TRP CD1 C 127.582 0.300 1 805 78 78 TRP CE3 C 120.571 0.300 1 806 78 78 TRP CH2 C 122.522 0.300 1 807 78 78 TRP CZ2 C 113.976 0.300 1 808 78 78 TRP CZ3 C 120.674 0.300 1 809 78 78 TRP N N 118.797 0.300 1 810 78 78 TRP NE1 N 133.022 0.300 1 811 79 79 ILE H H 8.899 0.030 1 812 79 79 ILE HA H 3.301 0.030 1 813 79 79 ILE HB H 2.021 0.030 1 814 79 79 ILE HD1 H 1.063 0.030 1 815 79 79 ILE HG12 H 1.259 0.030 2 816 79 79 ILE HG13 H 2.318 0.030 2 817 79 79 ILE HG2 H 0.868 0.030 1 818 79 79 ILE C C 177.632 0.300 1 819 79 79 ILE CA C 65.593 0.300 1 820 79 79 ILE CB C 38.471 0.300 1 821 79 79 ILE CD1 C 14.437 0.300 1 822 79 79 ILE CG1 C 28.938 0.300 1 823 79 79 ILE CG2 C 17.189 0.300 1 824 79 79 ILE N N 120.600 0.300 1 825 80 80 ASN H H 8.398 0.030 1 826 80 80 ASN HA H 4.345 0.030 1 827 80 80 ASN HB2 H 2.930 0.030 2 828 80 80 ASN HB3 H 2.837 0.030 2 829 80 80 ASN HD21 H 7.605 0.030 2 830 80 80 ASN HD22 H 7.010 0.030 2 831 80 80 ASN C C 176.402 0.300 1 832 80 80 ASN CA C 54.955 0.300 1 833 80 80 ASN CB C 38.359 0.300 1 834 80 80 ASN N N 113.134 0.300 1 835 80 80 ASN ND2 N 111.981 0.300 1 836 81 81 PHE H H 7.520 0.030 1 837 81 81 PHE HA H 4.285 0.030 1 838 81 81 PHE HB2 H 2.712 0.030 2 839 81 81 PHE HB3 H 3.286 0.030 2 840 81 81 PHE HD1 H 7.013 0.030 1 841 81 81 PHE HD2 H 7.013 0.030 1 842 81 81 PHE HE1 H 6.088 0.030 1 843 81 81 PHE HE2 H 6.088 0.030 1 844 81 81 PHE C C 176.096 0.300 1 845 81 81 PHE CA C 60.356 0.300 1 846 81 81 PHE CB C 39.849 0.300 1 847 81 81 PHE CD1 C 132.395 0.300 1 848 81 81 PHE CD2 C 132.395 0.300 1 849 81 81 PHE CE1 C 131.000 0.300 1 850 81 81 PHE CE2 C 131.000 0.300 1 851 81 81 PHE N N 120.627 0.300 1 852 82 82 ASN H H 7.049 0.030 1 853 82 82 ASN HA H 4.514 0.030 1 854 82 82 ASN HB2 H 2.320 0.030 2 855 82 82 ASN HB3 H 2.525 0.030 2 856 82 82 ASN HD21 H 7.273 0.030 2 857 82 82 ASN HD22 H 6.790 0.030 2 858 82 82 ASN C C 173.699 0.300 1 859 82 82 ASN CA C 52.141 0.300 1 860 82 82 ASN CB C 37.369 0.300 1 861 82 82 ASN N N 112.178 0.300 1 862 82 82 ASN ND2 N 110.856 0.300 1 863 83 83 LYS H H 8.785 0.030 1 864 83 83 LYS HA H 3.933 0.030 1 865 83 83 LYS HB2 H 1.830 0.030 1 866 83 83 LYS HB3 H 1.830 0.030 1 867 83 83 LYS HD2 H 1.734 0.030 1 868 83 83 LYS HD3 H 1.734 0.030 1 869 83 83 LYS HE2 H 3.014 0.030 1 870 83 83 LYS HE3 H 3.014 0.030 1 871 83 83 LYS HG2 H 1.482 0.030 1 872 83 83 LYS HG3 H 1.482 0.030 1 873 83 83 LYS C C 178.736 0.300 1 874 83 83 LYS CA C 60.403 0.300 1 875 83 83 LYS CB C 33.035 0.300 1 876 83 83 LYS CD C 29.578 0.300 1 877 83 83 LYS CE C 41.998 0.300 1 878 83 83 LYS CG C 25.799 0.300 1 879 83 83 LYS N N 127.027 0.300 1 880 84 84 GLU H H 8.734 0.030 1 881 84 84 GLU HA H 4.001 0.030 1 882 84 84 GLU HB2 H 2.123 0.030 2 883 84 84 GLU HB3 H 2.015 0.030 2 884 84 84 GLU HG2 H 2.341 0.030 1 885 84 84 GLU HG3 H 2.341 0.030 1 886 84 84 GLU C C 178.771 0.300 1 887 84 84 GLU CA C 59.925 0.300 1 888 84 84 GLU CB C 29.172 0.300 1 889 84 84 GLU CG C 36.887 0.300 1 890 84 84 GLU N N 117.762 0.300 1 891 85 85 GLU H H 7.008 0.030 1 892 85 85 GLU HA H 4.371 0.030 1 893 85 85 GLU HB2 H 2.075 0.030 2 894 85 85 GLU HB3 H 1.831 0.030 2 895 85 85 GLU HG2 H 2.350 0.030 2 896 85 85 GLU HG3 H 2.182 0.030 2 897 85 85 GLU C C 177.985 0.300 1 898 85 85 GLU CA C 57.370 0.300 1 899 85 85 GLU CB C 31.921 0.300 1 900 85 85 GLU CG C 37.065 0.300 1 901 85 85 GLU N N 114.439 0.300 1 902 86 86 ARG H H 8.226 0.030 1 903 86 86 ARG HA H 4.629 0.030 1 904 86 86 ARG HB2 H 1.943 0.030 1 905 86 86 ARG HB3 H 1.943 0.030 1 906 86 86 ARG HD2 H 2.274 0.030 2 907 86 86 ARG HD3 H 0.623 0.030 2 908 86 86 ARG HG2 H 1.248 0.030 2 909 86 86 ARG HG3 H 1.717 0.030 2 910 86 86 ARG C C 177.988 0.300 1 911 86 86 ARG CA C 57.986 0.300 1 912 86 86 ARG CB C 31.757 0.300 1 913 86 86 ARG CD C 43.236 0.300 1 914 86 86 ARG CG C 28.666 0.300 1 915 86 86 ARG N N 115.165 0.300 1 916 87 87 GLU H H 8.662 0.030 1 917 87 87 GLU HA H 4.077 0.030 1 918 87 87 GLU HB2 H 2.023 0.030 2 919 87 87 GLU HB3 H 2.264 0.030 2 920 87 87 GLU HG2 H 2.314 0.030 2 921 87 87 GLU HG3 H 2.372 0.030 2 922 87 87 GLU C C 178.603 0.300 1 923 87 87 GLU CA C 60.150 0.300 1 924 87 87 GLU CB C 28.654 0.300 1 925 87 87 GLU CG C 36.195 0.300 1 926 87 87 GLU N N 122.352 0.300 1 927 88 88 ALA H H 8.034 0.030 1 928 88 88 ALA HA H 4.120 0.030 1 929 88 88 ALA HB H 1.066 0.030 1 930 88 88 ALA C C 178.804 0.300 1 931 88 88 ALA CA C 54.078 0.300 1 932 88 88 ALA CB C 18.234 0.300 1 933 88 88 ALA N N 119.716 0.300 1 934 89 89 PHE H H 7.887 0.030 1 935 89 89 PHE HA H 4.752 0.030 1 936 89 89 PHE HB2 H 3.159 0.030 2 937 89 89 PHE HB3 H 3.429 0.030 2 938 89 89 PHE HD1 H 7.185 0.030 1 939 89 89 PHE HD2 H 7.185 0.030 1 940 89 89 PHE C C 176.166 0.300 1 941 89 89 PHE CA C 57.172 0.300 1 942 89 89 PHE CB C 39.876 0.300 1 943 89 89 PHE CD1 C 130.891 0.300 1 944 89 89 PHE CD2 C 130.891 0.300 1 945 89 89 PHE N N 115.200 0.300 1 946 90 90 ALA H H 7.951 0.030 1 947 90 90 ALA HA H 4.000 0.030 1 948 90 90 ALA HB H 1.684 0.030 1 949 90 90 ALA C C 178.845 0.300 1 950 90 90 ALA CA C 57.176 0.300 1 951 90 90 ALA CB C 19.398 0.300 1 952 90 90 ALA N N 122.799 0.300 1 953 91 91 GLU H H 8.755 0.030 1 954 91 91 GLU HA H 4.167 0.030 1 955 91 91 GLU HB2 H 2.111 0.030 1 956 91 91 GLU HB3 H 2.111 0.030 1 957 91 91 GLU HG2 H 2.314 0.030 2 958 91 91 GLU CA C 59.862 0.300 1 959 91 91 GLU CB C 29.212 0.300 1 960 91 91 GLU CG C 36.161 0.300 1 961 91 91 GLU N N 117.127 0.300 1 962 92 92 SER H H 8.646 0.030 1 963 92 92 SER HA H 4.257 0.030 1 964 92 92 SER HB2 H 4.103 0.030 1 965 92 92 SER HB3 H 4.103 0.030 1 966 92 92 SER C C 177.560 0.300 1 967 92 92 SER CA C 61.369 0.300 1 968 92 92 SER CB C 62.641 0.300 1 969 92 92 SER N N 116.116 0.300 1 970 93 93 LEU H H 8.317 0.030 1 971 93 93 LEU HA H 4.120 0.030 1 972 93 93 LEU HB2 H 2.088 0.030 2 973 93 93 LEU HB3 H 1.267 0.030 2 974 93 93 LEU HD1 H 0.889 0.030 1 975 93 93 LEU HD2 H 0.607 0.030 1 976 93 93 LEU HG H 1.971 0.030 1 977 93 93 LEU C C 178.399 0.300 1 978 93 93 LEU CA C 58.181 0.300 1 979 93 93 LEU CB C 42.883 0.300 1 980 93 93 LEU CD1 C 27.774 0.300 2 981 93 93 LEU CD2 C 23.998 0.300 2 982 93 93 LEU CG C 27.174 0.300 1 983 93 93 LEU N N 123.787 0.300 1 984 94 94 ARG H H 8.240 0.030 1 985 94 94 ARG HA H 3.940 0.030 1 986 94 94 ARG HB2 H 1.986 0.030 1 987 94 94 ARG HB3 H 1.986 0.030 1 988 94 94 ARG HD2 H 3.166 0.030 2 989 94 94 ARG HD3 H 3.243 0.030 2 990 94 94 ARG HG2 H 1.688 0.030 2 991 94 94 ARG HG3 H 1.908 0.030 2 992 94 94 ARG C C 179.576 0.300 1 993 94 94 ARG CA C 60.216 0.300 1 994 94 94 ARG CB C 30.287 0.300 1 995 94 94 ARG CD C 43.560 0.300 1 996 94 94 ARG CG C 28.822 0.300 1 997 94 94 ARG N N 116.890 0.300 1 998 95 95 THR H H 8.237 0.030 1 999 95 95 THR HA H 4.167 0.030 1 1000 95 95 THR HB H 4.378 0.030 1 1001 95 95 THR HG2 H 1.337 0.030 1 1002 95 95 THR C C 175.945 0.300 1 1003 95 95 THR CA C 65.098 0.300 1 1004 95 95 THR CB C 69.287 0.300 1 1005 95 95 THR CG2 C 21.885 0.300 1 1006 95 95 THR N N 112.026 0.300 1 1007 96 96 SER H H 7.878 0.030 1 1008 96 96 SER HA H 4.336 0.030 1 1009 96 96 SER HB2 H 3.882 0.030 2 1010 96 96 SER HB3 H 3.987 0.030 2 1011 96 96 SER C C 174.091 0.300 1 1012 96 96 SER CA C 60.964 0.300 1 1013 96 96 SER CB C 63.583 0.300 1 1014 96 96 SER N N 117.872 0.300 1 1015 97 97 LEU H H 7.124 0.030 1 1016 97 97 LEU HA H 3.891 0.030 1 1017 97 97 LEU HB2 H 1.556 0.030 2 1018 97 97 LEU HB3 H 1.825 0.030 2 1019 97 97 LEU HD1 H 0.909 0.030 1 1020 97 97 LEU HD2 H 0.937 0.030 1 1021 97 97 LEU HG H 1.565 0.030 1 1022 97 97 LEU C C 175.946 0.300 1 1023 97 97 LEU CA C 56.331 0.300 1 1024 97 97 LEU CB C 41.644 0.300 1 1025 97 97 LEU CD1 C 25.467 0.300 2 1026 97 97 LEU CD2 C 24.606 0.300 2 1027 97 97 LEU CG C 27.304 0.300 1 1028 97 97 LEU N N 120.771 0.300 1 1029 98 98 LYS H H 8.174 0.030 1 1030 98 98 LYS HA H 4.559 0.030 1 1031 98 98 LYS HB2 H 1.751 0.030 1 1032 98 98 LYS HB3 H 1.751 0.030 1 1033 98 98 LYS HD2 H 1.714 0.030 1 1034 98 98 LYS HD3 H 1.714 0.030 1 1035 98 98 LYS HE2 H 3.023 0.030 1 1036 98 98 LYS HE3 H 3.023 0.030 1 1037 98 98 LYS HG2 H 1.358 0.030 2 1038 98 98 LYS HG3 H 1.533 0.030 2 1039 98 98 LYS C C 175.095 0.300 1 1040 98 98 LYS CA C 55.590 0.300 1 1041 98 98 LYS CB C 33.744 0.300 1 1042 98 98 LYS CD C 29.102 0.300 1 1043 98 98 LYS CE C 42.238 0.300 1 1044 98 98 LYS CG C 24.769 0.300 1 1045 98 98 LYS N N 126.496 0.300 1 1046 99 99 GLU H H 8.669 0.030 1 1047 99 99 GLU HA H 4.855 0.030 1 1048 99 99 GLU HB2 H 1.919 0.030 2 1049 99 99 GLU HB3 H 2.084 0.030 2 1050 99 99 GLU HG2 H 2.226 0.030 2 1051 99 99 GLU HG3 H 2.138 0.030 2 1052 99 99 GLU C C 176.628 0.300 1 1053 99 99 GLU CA C 55.870 0.300 1 1054 99 99 GLU CB C 31.630 0.300 1 1055 99 99 GLU CG C 37.304 0.300 1 1056 99 99 GLU N N 124.407 0.300 1 1057 100 100 ILE H H 8.111 0.030 1 1058 100 100 ILE HA H 4.412 0.030 1 1059 100 100 ILE HB H 1.818 0.030 1 1060 100 100 ILE HD1 H 0.803 0.030 1 1061 100 100 ILE HG12 H 1.373 0.030 2 1062 100 100 ILE HG13 H 0.956 0.030 2 1063 100 100 ILE HG2 H 0.926 0.030 1 1064 100 100 ILE C C 176.229 0.300 1 1065 100 100 ILE CA C 60.380 0.300 1 1066 100 100 ILE CB C 39.581 0.300 1 1067 100 100 ILE CD1 C 12.997 0.300 1 1068 100 100 ILE CG1 C 26.630 0.300 1 1069 100 100 ILE CG2 C 17.552 0.300 1 1070 100 100 ILE N N 121.568 0.300 1 1071 101 101 GLY H H 8.495 0.030 1 1072 101 101 GLY HA2 H 4.208 0.030 2 1073 101 101 GLY HA3 H 3.996 0.030 2 1074 101 101 GLY C C 173.662 0.300 1 1075 101 101 GLY CA C 45.202 0.300 1 1076 101 101 GLY N N 112.768 0.300 1 1077 102 102 GLU H H 8.353 0.030 1 1078 102 102 GLU HA H 4.361 0.030 1 1079 102 102 GLU HB2 H 2.087 0.030 2 1080 102 102 GLU HB3 H 1.948 0.030 2 1081 102 102 GLU HG2 H 2.317 0.030 1 1082 102 102 GLU HG3 H 2.317 0.030 1 1083 102 102 GLU C C 176.248 0.300 1 1084 102 102 GLU CA C 56.460 0.300 1 1085 102 102 GLU CB C 30.842 0.300 1 1086 102 102 GLU CG C 36.395 0.300 1 1087 102 102 GLU N N 119.699 0.300 1 1088 103 103 ASN H H 8.601 0.030 1 1089 103 103 ASN HA H 4.737 0.030 1 1090 103 103 ASN HB2 H 2.863 0.030 2 1091 103 103 ASN HB3 H 2.756 0.030 2 1092 103 103 ASN HD21 H 6.951 0.030 2 1093 103 103 ASN HD22 H 7.629 0.030 2 1094 103 103 ASN C C 174.745 0.300 1 1095 103 103 ASN CA C 53.262 0.300 1 1096 103 103 ASN CB C 38.896 0.300 1 1097 103 103 ASN N N 119.593 0.300 1 1098 103 103 ASN ND2 N 113.080 0.300 1 1099 104 104 VAL H H 8.000 0.030 1 1100 104 104 VAL HA H 4.111 0.030 1 1101 104 104 VAL HB H 2.065 0.030 1 1102 104 104 VAL HG1 H 0.905 0.030 1 1103 104 104 VAL HG2 H 0.877 0.030 1 1104 104 104 VAL C C 175.091 0.300 1 1105 104 104 VAL CA C 62.461 0.300 1 1106 104 104 VAL CB C 32.678 0.300 1 1107 104 104 VAL CG1 C 21.234 0.300 2 1108 104 104 VAL CG2 C 20.362 0.300 2 1109 104 104 VAL N N 120.402 0.300 1 1110 105 105 HIS H H 8.030 0.030 1 1111 105 105 HIS HA H 4.503 0.030 1 1112 105 105 HIS HB2 H 3.084 0.030 2 1113 105 105 HIS HB3 H 3.229 0.030 2 1114 105 105 HIS HD2 H 7.144 0.030 1 1115 105 105 HIS HE1 H 8.273 0.030 1 1116 105 105 HIS C C 179.269 0.300 1 1117 105 105 HIS CA C 57.185 0.300 1 1118 105 105 HIS CB C 30.745 0.300 1 1119 105 105 HIS CD2 C 120.146 0.300 1 1120 105 105 HIS CE1 C 136.931 0.300 1 1121 105 105 HIS N N 127.692 0.300 1 stop_ save_