data_11331 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the B-box domain of the human Midline-2 protein ; _BMRB_accession_number 11331 _BMRB_flat_file_name bmr11331.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Miyamoto K. . . 2 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 6 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" 442 "13C chemical shifts" 329 "15N chemical shifts" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the B-box domain of the human Midline-2 protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miyamoto K. . . 2 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 6 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 Midline-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-B box' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN 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 'zf-B box' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; GSSGSSGVEPVPDTHLRGIT CLDHENEKVNMYCVSDDQLI CALCKLVGRHRDHQVASLND RFEKLKQTLEMNLTNLVKSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 GLU 10 PRO 11 VAL 12 PRO 13 ASP 14 THR 15 HIS 16 LEU 17 ARG 18 GLY 19 ILE 20 THR 21 CYS 22 LEU 23 ASP 24 HIS 25 GLU 26 ASN 27 GLU 28 LYS 29 VAL 30 ASN 31 MET 32 TYR 33 CYS 34 VAL 35 SER 36 ASP 37 ASP 38 GLN 39 LEU 40 ILE 41 CYS 42 ALA 43 LEU 44 CYS 45 LYS 46 LEU 47 VAL 48 GLY 49 ARG 50 HIS 51 ARG 52 ASP 53 HIS 54 GLN 55 VAL 56 ALA 57 SER 58 LEU 59 ASN 60 ASP 61 ARG 62 PHE 63 GLU 64 LYS 65 LEU 66 LYS 67 GLN 68 THR 69 LEU 70 GLU 71 MET 72 ASN 73 LEU 74 THR 75 ASN 76 LEU 77 VAL 78 LYS 79 SER 80 GLY 81 PRO 82 SER 83 SER 84 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2DJA "Solution Structure Of The B-Box Domain Of The Human Midline- 2 Protein" 100.00 84 100.00 100.00 7.18e-54 EMBL CAB56154 "midline 2 protein [Homo sapiens]" 84.52 715 100.00 100.00 7.54e-41 EMBL CAB56170 "midline 2 protein [Mus musculus]" 84.52 685 98.59 98.59 1.06e-39 GB AAF07340 "RING finger protein [Mus musculus]" 84.52 685 98.59 98.59 1.06e-39 GB AAF07341 "RING finger protein [Homo sapiens]" 84.52 685 100.00 100.00 5.84e-41 GB AAH17707 "Midline 2 [Homo sapiens]" 84.52 685 100.00 100.00 5.84e-41 GB AAI40362 "Midline 2, partial [synthetic construct]" 84.52 685 98.59 98.59 1.06e-39 GB AAI46505 "Midline 2 [synthetic construct]" 84.52 685 98.59 98.59 1.06e-39 REF NP_001178818 "probable E3 ubiquitin-protein ligase MID2 [Rattus norvegicus]" 84.52 735 98.59 98.59 1.34e-39 REF NP_035975 "probable E3 ubiquitin-protein ligase MID2 [Mus musculus]" 84.52 685 98.59 98.59 1.06e-39 REF NP_036348 "probable E3 ubiquitin-protein ligase MID2 isoform 1 [Homo sapiens]" 84.52 735 100.00 100.00 8.35e-41 REF NP_438112 "probable E3 ubiquitin-protein ligase MID2 isoform 2 [Homo sapiens]" 84.52 705 100.00 100.00 6.24e-41 REF XP_001091577 "PREDICTED: midline-2-like [Macaca mulatta]" 84.52 572 100.00 100.00 2.25e-41 SP Q9QUS6 "RecName: Full=Probable E3 ubiquitin-protein ligase MID2; AltName: Full=Midline defect 2; AltName: Full=Midline-2; AltName: Full" 84.52 705 98.59 98.59 1.16e-39 SP Q9UJV3 "RecName: Full=Probable E3 ubiquitin-protein ligase MID2; AltName: Full=Midin-2; AltName: Full=Midline defect 2; AltName: Full=M" 84.52 735 100.00 100.00 8.35e-41 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 P050302-80 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.92mM zf-B_box {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.92 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' ZnCl2 0.05 mM 'natural abundance' IDA 1.0 mM '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 20031121 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 0.9732 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 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 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 296 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 15N-separated NOESY' '3D 13C-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 'zf-B box' _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 6 6 SER HA H 4.473 0.030 1 2 6 6 SER HB2 H 3.894 0.030 1 3 6 6 SER HB3 H 3.894 0.030 1 4 6 6 SER C C 174.977 0.300 1 5 6 6 SER CA C 58.497 0.300 1 6 6 6 SER CB C 63.703 0.300 1 7 7 7 GLY H H 8.411 0.030 1 8 7 7 GLY HA2 H 3.971 0.030 1 9 7 7 GLY HA3 H 3.971 0.030 1 10 7 7 GLY C C 173.844 0.300 1 11 7 7 GLY CA C 45.268 0.300 1 12 7 7 GLY N N 110.913 0.300 1 13 8 8 VAL H H 7.953 0.030 1 14 8 8 VAL HA H 4.168 0.030 1 15 8 8 VAL HB H 2.062 0.030 1 16 8 8 VAL HG1 H 0.900 0.030 1 17 8 8 VAL HG2 H 0.885 0.030 1 18 8 8 VAL C C 176.043 0.300 1 19 8 8 VAL CA C 61.763 0.300 1 20 8 8 VAL CB C 32.729 0.300 1 21 8 8 VAL CG1 C 21.152 0.300 2 22 8 8 VAL CG2 C 20.409 0.300 2 23 8 8 VAL N N 118.824 0.300 1 24 9 9 GLU H H 8.475 0.030 1 25 9 9 GLU HA H 4.579 0.030 1 26 9 9 GLU HB2 H 2.020 0.030 2 27 9 9 GLU HB3 H 1.880 0.030 2 28 9 9 GLU HG2 H 2.297 0.030 1 29 9 9 GLU HG3 H 2.297 0.030 1 30 9 9 GLU C C 174.435 0.300 1 31 9 9 GLU CA C 54.336 0.300 1 32 9 9 GLU CB C 29.738 0.300 1 33 9 9 GLU CG C 35.932 0.300 1 34 9 9 GLU N N 126.428 0.300 1 35 10 10 PRO HA H 4.439 0.030 1 36 10 10 PRO HB2 H 2.238 0.030 2 37 10 10 PRO HB3 H 1.844 0.030 2 38 10 10 PRO HD2 H 3.831 0.030 2 39 10 10 PRO HD3 H 3.693 0.030 2 40 10 10 PRO HG2 H 1.973 0.030 1 41 10 10 PRO HG3 H 1.973 0.030 1 42 10 10 PRO C C 176.670 0.300 1 43 10 10 PRO CA C 63.056 0.300 1 44 10 10 PRO CB C 32.048 0.300 1 45 10 10 PRO CD C 50.675 0.300 1 46 10 10 PRO CG C 27.370 0.300 1 47 11 11 VAL H H 8.260 0.030 1 48 11 11 VAL HA H 4.378 0.030 1 49 11 11 VAL HB H 2.057 0.030 1 50 11 11 VAL HG1 H 0.959 0.030 1 51 11 11 VAL HG2 H 0.980 0.030 1 52 11 11 VAL C C 174.948 0.300 1 53 11 11 VAL CA C 59.892 0.300 1 54 11 11 VAL CB C 32.421 0.300 1 55 11 11 VAL CG1 C 20.409 0.300 2 56 11 11 VAL CG2 C 21.152 0.300 2 57 11 11 VAL N N 121.854 0.300 1 58 12 12 PRO HA H 4.397 0.030 1 59 12 12 PRO HB2 H 2.270 0.030 2 60 12 12 PRO HB3 H 1.877 0.030 2 61 12 12 PRO HD2 H 3.839 0.030 2 62 12 12 PRO HD3 H 3.630 0.030 2 63 12 12 PRO HG2 H 1.980 0.030 1 64 12 12 PRO HG3 H 1.980 0.030 1 65 12 12 PRO C C 176.637 0.300 1 66 12 12 PRO CA C 63.247 0.300 1 67 12 12 PRO CB C 32.193 0.300 1 68 12 12 PRO CD C 50.867 0.300 1 69 12 12 PRO CG C 27.275 0.300 1 70 13 13 ASP H H 8.449 0.030 1 71 13 13 ASP HA H 4.596 0.030 1 72 13 13 ASP HB2 H 2.665 0.030 1 73 13 13 ASP HB3 H 2.665 0.030 1 74 13 13 ASP C C 176.983 0.300 1 75 13 13 ASP CA C 54.591 0.300 1 76 13 13 ASP CB C 41.148 0.300 1 77 13 13 ASP N N 120.782 0.300 1 78 14 14 THR H H 8.068 0.030 1 79 14 14 THR HA H 4.165 0.030 1 80 14 14 THR HB H 4.231 0.030 1 81 14 14 THR HG2 H 1.163 0.030 1 82 14 14 THR C C 175.063 0.300 1 83 14 14 THR CA C 62.753 0.300 1 84 14 14 THR CB C 69.342 0.300 1 85 14 14 THR CG2 C 21.675 0.300 1 86 14 14 THR N N 113.765 0.300 1 87 15 15 HIS HA H 4.568 0.030 1 88 15 15 HIS HB2 H 3.116 0.030 1 89 15 15 HIS HB3 H 3.116 0.030 1 90 15 15 HIS HD2 H 7.020 0.030 1 91 15 15 HIS HE1 H 7.932 0.030 1 92 15 15 HIS C C 175.542 0.300 1 93 15 15 HIS CA C 56.795 0.300 1 94 15 15 HIS CB C 30.202 0.300 1 95 15 15 HIS CD2 C 119.836 0.300 1 96 15 15 HIS CE1 C 138.150 0.300 1 97 16 16 LEU H H 8.006 0.030 1 98 16 16 LEU HA H 4.264 0.030 1 99 16 16 LEU HB2 H 1.533 0.030 2 100 16 16 LEU HB3 H 1.625 0.030 2 101 16 16 LEU HD1 H 0.873 0.030 1 102 16 16 LEU HD2 H 0.798 0.030 1 103 16 16 LEU HG H 1.376 0.030 1 104 16 16 LEU C C 177.184 0.300 1 105 16 16 LEU CA C 55.182 0.300 1 106 16 16 LEU CB C 41.956 0.300 1 107 16 16 LEU CD1 C 25.362 0.300 2 108 16 16 LEU CD2 C 23.629 0.300 2 109 16 16 LEU CG C 26.808 0.300 1 110 16 16 LEU N N 121.719 0.300 1 111 17 17 ARG H H 8.097 0.030 1 112 17 17 ARG HA H 4.282 0.030 1 113 17 17 ARG HB2 H 1.877 0.030 2 114 17 17 ARG HB3 H 1.777 0.030 2 115 17 17 ARG HD2 H 3.182 0.030 1 116 17 17 ARG HD3 H 3.182 0.030 1 117 17 17 ARG HG2 H 1.652 0.030 2 118 17 17 ARG HG3 H 1.613 0.030 2 119 17 17 ARG C C 176.650 0.300 1 120 17 17 ARG CA C 56.466 0.300 1 121 17 17 ARG CB C 30.709 0.300 1 122 17 17 ARG CD C 43.429 0.300 1 123 17 17 ARG CG C 27.337 0.300 1 124 17 17 ARG N N 120.068 0.300 1 125 18 18 GLY H H 8.303 0.030 1 126 18 18 GLY HA2 H 3.986 0.030 2 127 18 18 GLY HA3 H 3.914 0.030 2 128 18 18 GLY C C 173.638 0.300 1 129 18 18 GLY CA C 45.420 0.300 1 130 18 18 GLY N N 108.822 0.300 1 131 19 19 ILE H H 8.016 0.030 1 132 19 19 ILE HA H 4.263 0.030 1 133 19 19 ILE HB H 1.858 0.030 1 134 19 19 ILE HD1 H 0.838 0.030 1 135 19 19 ILE HG12 H 1.485 0.030 2 136 19 19 ILE HG13 H 1.140 0.030 2 137 19 19 ILE HG2 H 0.913 0.030 1 138 19 19 ILE C C 175.893 0.300 1 139 19 19 ILE CA C 61.270 0.300 1 140 19 19 ILE CB C 38.776 0.300 1 141 19 19 ILE CD1 C 13.270 0.300 1 142 19 19 ILE CG1 C 27.334 0.300 1 143 19 19 ILE CG2 C 17.712 0.300 1 144 19 19 ILE N N 120.655 0.300 1 145 20 20 THR H H 8.119 0.030 1 146 20 20 THR HA H 4.841 0.030 1 147 20 20 THR HB H 4.080 0.030 1 148 20 20 THR HG2 H 1.129 0.030 1 149 20 20 THR C C 174.038 0.300 1 150 20 20 THR CA C 60.608 0.300 1 151 20 20 THR CB C 70.942 0.300 1 152 20 20 THR CG2 C 22.196 0.300 1 153 20 20 THR N N 118.063 0.300 1 154 21 21 CYS H H 8.522 0.030 1 155 21 21 CYS HA H 3.882 0.030 1 156 21 21 CYS HB2 H 3.611 0.030 2 157 21 21 CYS HB3 H 2.709 0.030 2 158 21 21 CYS C C 175.776 0.300 1 159 21 21 CYS CA C 60.098 0.300 1 160 21 21 CYS CB C 28.909 0.300 1 161 21 21 CYS N N 125.646 0.300 1 162 22 22 LEU H H 8.413 0.030 1 163 22 22 LEU HA H 4.077 0.030 1 164 22 22 LEU HB2 H 1.530 0.030 2 165 22 22 LEU HB3 H 1.727 0.030 2 166 22 22 LEU HD1 H 0.944 0.030 1 167 22 22 LEU HD2 H 0.884 0.030 1 168 22 22 LEU HG H 1.775 0.030 1 169 22 22 LEU C C 178.126 0.300 1 170 22 22 LEU CA C 57.505 0.300 1 171 22 22 LEU CB C 42.184 0.300 1 172 22 22 LEU CD1 C 24.980 0.300 2 173 22 22 LEU CD2 C 23.381 0.300 2 174 22 22 LEU CG C 27.047 0.300 1 175 22 22 LEU N N 128.651 0.300 1 176 23 23 ASP H H 8.636 0.030 1 177 23 23 ASP HA H 4.532 0.030 1 178 23 23 ASP HB2 H 1.958 0.030 2 179 23 23 ASP HB3 H 2.089 0.030 2 180 23 23 ASP C C 175.703 0.300 1 181 23 23 ASP CA C 55.247 0.300 1 182 23 23 ASP CB C 42.435 0.300 1 183 23 23 ASP N N 120.022 0.300 1 184 24 24 HIS H H 7.602 0.030 1 185 24 24 HIS HA H 4.740 0.030 1 186 24 24 HIS HB2 H 3.555 0.030 2 187 24 24 HIS HB3 H 3.079 0.030 2 188 24 24 HIS HD2 H 7.199 0.030 1 189 24 24 HIS HE1 H 8.014 0.030 1 190 24 24 HIS C C 173.812 0.300 1 191 24 24 HIS CA C 56.568 0.300 1 192 24 24 HIS CB C 30.758 0.300 1 193 24 24 HIS CD2 C 119.948 0.300 1 194 24 24 HIS CE1 C 137.164 0.300 1 195 24 24 HIS N N 122.994 0.300 1 196 25 25 GLU H H 8.316 0.030 1 197 25 25 GLU HA H 4.199 0.030 1 198 25 25 GLU HB2 H 2.001 0.030 1 199 25 25 GLU HB3 H 2.001 0.030 1 200 25 25 GLU HG2 H 2.228 0.030 1 201 25 25 GLU HG3 H 2.228 0.030 1 202 25 25 GLU C C 176.714 0.300 1 203 25 25 GLU CA C 58.791 0.300 1 204 25 25 GLU CB C 29.589 0.300 1 205 25 25 GLU CG C 35.762 0.300 1 206 25 25 GLU N N 119.952 0.300 1 207 26 26 ASN H H 8.888 0.030 1 208 26 26 ASN HA H 4.682 0.030 1 209 26 26 ASN HB2 H 2.996 0.030 2 210 26 26 ASN HB3 H 2.899 0.030 2 211 26 26 ASN HD21 H 7.005 0.030 2 212 26 26 ASN HD22 H 7.638 0.030 2 213 26 26 ASN C C 174.887 0.300 1 214 26 26 ASN CA C 53.837 0.300 1 215 26 26 ASN CB C 38.830 0.300 1 216 26 26 ASN N N 115.880 0.300 1 217 26 26 ASN ND2 N 114.172 0.300 1 218 27 27 GLU H H 8.340 0.030 1 219 27 27 GLU HA H 4.522 0.030 1 220 27 27 GLU HB2 H 2.322 0.030 2 221 27 27 GLU HB3 H 2.125 0.030 2 222 27 27 GLU HG2 H 2.561 0.030 2 223 27 27 GLU HG3 H 2.227 0.030 2 224 27 27 GLU C C 176.045 0.300 1 225 27 27 GLU CA C 54.920 0.300 1 226 27 27 GLU CB C 32.295 0.300 1 227 27 27 GLU CG C 35.869 0.300 1 228 27 27 GLU N N 120.479 0.300 1 229 28 28 LYS H H 8.642 0.030 1 230 28 28 LYS HA H 4.551 0.030 1 231 28 28 LYS HB2 H 1.826 0.030 2 232 28 28 LYS HB3 H 1.749 0.030 2 233 28 28 LYS HD2 H 1.628 0.030 2 234 28 28 LYS HD3 H 1.562 0.030 2 235 28 28 LYS HE2 H 2.978 0.030 1 236 28 28 LYS HE3 H 2.978 0.030 1 237 28 28 LYS HG2 H 1.522 0.030 2 238 28 28 LYS HG3 H 1.423 0.030 2 239 28 28 LYS C C 177.403 0.300 1 240 28 28 LYS CA C 55.325 0.300 1 241 28 28 LYS CB C 32.858 0.300 1 242 28 28 LYS CD C 28.829 0.300 1 243 28 28 LYS CE C 42.448 0.300 1 244 28 28 LYS CG C 25.042 0.300 1 245 28 28 LYS N N 121.490 0.300 1 246 29 29 VAL H H 8.171 0.030 1 247 29 29 VAL HA H 3.790 0.030 1 248 29 29 VAL HB H 2.062 0.030 1 249 29 29 VAL HG1 H 0.755 0.030 1 250 29 29 VAL HG2 H 0.892 0.030 1 251 29 29 VAL C C 175.814 0.300 1 252 29 29 VAL CA C 62.579 0.300 1 253 29 29 VAL CB C 31.553 0.300 1 254 29 29 VAL CG1 C 21.896 0.300 2 255 29 29 VAL CG2 C 19.168 0.300 2 256 29 29 VAL N N 116.876 0.300 1 257 30 30 ASN H H 8.629 0.030 1 258 30 30 ASN HA H 4.765 0.030 1 259 30 30 ASN HB2 H 2.646 0.030 2 260 30 30 ASN HB3 H 3.088 0.030 2 261 30 30 ASN HD21 H 6.305 0.030 2 262 30 30 ASN HD22 H 7.301 0.030 2 263 30 30 ASN C C 174.177 0.300 1 264 30 30 ASN CA C 52.967 0.300 1 265 30 30 ASN CB C 39.907 0.300 1 266 30 30 ASN N N 120.051 0.300 1 267 30 30 ASN ND2 N 108.085 0.300 1 268 31 31 MET H H 8.443 0.030 1 269 31 31 MET HA H 4.834 0.030 1 270 31 31 MET HB2 H 1.910 0.030 2 271 31 31 MET HB3 H 1.781 0.030 2 272 31 31 MET HE H 1.948 0.030 1 273 31 31 MET HG2 H 2.361 0.030 1 274 31 31 MET HG3 H 2.361 0.030 1 275 31 31 MET C C 172.225 0.300 1 276 31 31 MET CA C 54.973 0.300 1 277 31 31 MET CB C 38.230 0.300 1 278 31 31 MET CE C 17.638 0.300 1 279 31 31 MET CG C 32.552 0.300 1 280 31 31 MET N N 119.571 0.300 1 281 32 32 TYR H H 9.067 0.030 1 282 32 32 TYR HA H 4.915 0.030 1 283 32 32 TYR HB2 H 2.633 0.030 2 284 32 32 TYR HB3 H 2.571 0.030 2 285 32 32 TYR HD1 H 6.689 0.030 1 286 32 32 TYR HD2 H 6.689 0.030 1 287 32 32 TYR HE1 H 6.678 0.030 1 288 32 32 TYR HE2 H 6.678 0.030 1 289 32 32 TYR C C 173.265 0.300 1 290 32 32 TYR CA C 55.863 0.300 1 291 32 32 TYR CB C 41.854 0.300 1 292 32 32 TYR CD1 C 132.753 0.300 1 293 32 32 TYR CD2 C 132.753 0.300 1 294 32 32 TYR CE1 C 117.974 0.300 1 295 32 32 TYR CE2 C 117.974 0.300 1 296 32 32 TYR N N 121.192 0.300 1 297 33 33 CYS H H 9.140 0.030 1 298 33 33 CYS HA H 4.666 0.030 1 299 33 33 CYS HB2 H 3.043 0.030 2 300 33 33 CYS HB3 H 2.365 0.030 2 301 33 33 CYS C C 175.294 0.300 1 302 33 33 CYS CA C 59.144 0.300 1 303 33 33 CYS CB C 28.772 0.300 1 304 33 33 CYS N N 129.096 0.300 1 305 34 34 VAL H H 8.876 0.030 1 306 34 34 VAL HA H 3.464 0.030 1 307 34 34 VAL HB H 1.800 0.030 1 308 34 34 VAL HG1 H 0.947 0.030 1 309 34 34 VAL HG2 H 0.988 0.030 1 310 34 34 VAL C C 178.462 0.300 1 311 34 34 VAL CA C 64.625 0.300 1 312 34 34 VAL CB C 32.439 0.300 1 313 34 34 VAL CG1 C 21.157 0.300 2 314 34 34 VAL CG2 C 22.096 0.300 2 315 34 34 VAL N N 130.438 0.300 1 316 35 35 SER H H 7.908 0.030 1 317 35 35 SER HA H 4.135 0.030 1 318 35 35 SER HB2 H 3.580 0.030 2 319 35 35 SER HB3 H 3.378 0.030 2 320 35 35 SER C C 174.980 0.300 1 321 35 35 SER CA C 62.258 0.300 1 322 35 35 SER CB C 62.690 0.300 1 323 35 35 SER N N 114.900 0.300 1 324 36 36 ASP H H 7.828 0.030 1 325 36 36 ASP HA H 4.798 0.030 1 326 36 36 ASP HB2 H 2.811 0.030 1 327 36 36 ASP HB3 H 2.811 0.030 1 328 36 36 ASP C C 174.641 0.300 1 329 36 36 ASP CA C 54.648 0.300 1 330 36 36 ASP CB C 42.444 0.300 1 331 36 36 ASP N N 116.833 0.300 1 332 37 37 ASP H H 7.975 0.030 1 333 37 37 ASP HA H 4.169 0.030 1 334 37 37 ASP HB2 H 2.538 0.030 2 335 37 37 ASP HB3 H 3.201 0.030 2 336 37 37 ASP C C 174.063 0.300 1 337 37 37 ASP CA C 55.230 0.300 1 338 37 37 ASP CB C 39.432 0.300 1 339 37 37 ASP N N 120.149 0.300 1 340 38 38 GLN H H 7.224 0.030 1 341 38 38 GLN HA H 4.664 0.030 1 342 38 38 GLN HB2 H 2.307 0.030 2 343 38 38 GLN HB3 H 1.727 0.030 2 344 38 38 GLN HE21 H 6.863 0.030 2 345 38 38 GLN HE22 H 7.320 0.030 2 346 38 38 GLN HG2 H 2.298 0.030 1 347 38 38 GLN HG3 H 2.298 0.030 1 348 38 38 GLN C C 174.478 0.300 1 349 38 38 GLN CA C 54.181 0.300 1 350 38 38 GLN CB C 33.511 0.300 1 351 38 38 GLN CG C 33.478 0.300 1 352 38 38 GLN N N 115.100 0.300 1 353 38 38 GLN NE2 N 111.058 0.300 1 354 39 39 LEU H H 8.762 0.030 1 355 39 39 LEU HA H 4.881 0.030 1 356 39 39 LEU HB2 H 1.915 0.030 2 357 39 39 LEU HB3 H 1.329 0.030 2 358 39 39 LEU HD1 H 0.974 0.030 1 359 39 39 LEU HD2 H 0.908 0.030 1 360 39 39 LEU HG H 1.865 0.030 1 361 39 39 LEU C C 176.550 0.300 1 362 39 39 LEU CA C 55.021 0.300 1 363 39 39 LEU CB C 41.767 0.300 1 364 39 39 LEU CD1 C 26.088 0.300 2 365 39 39 LEU CD2 C 24.133 0.300 2 366 39 39 LEU CG C 27.343 0.300 1 367 39 39 LEU N N 124.658 0.300 1 368 40 40 ILE H H 8.592 0.030 1 369 40 40 ILE HA H 4.892 0.030 1 370 40 40 ILE HB H 2.010 0.030 1 371 40 40 ILE HD1 H 0.538 0.030 1 372 40 40 ILE HG12 H 1.164 0.030 2 373 40 40 ILE HG13 H 0.542 0.030 2 374 40 40 ILE HG2 H -0.023 0.030 1 375 40 40 ILE C C 173.717 0.300 1 376 40 40 ILE CA C 60.159 0.300 1 377 40 40 ILE CB C 42.373 0.300 1 378 40 40 ILE CD1 C 14.687 0.300 1 379 40 40 ILE CG1 C 25.610 0.300 1 380 40 40 ILE CG2 C 16.159 0.300 1 381 40 40 ILE N N 115.602 0.300 1 382 41 41 CYS H H 8.101 0.030 1 383 41 41 CYS HA H 5.489 0.030 1 384 41 41 CYS HB2 H 3.607 0.030 2 385 41 41 CYS HB3 H 2.588 0.030 2 386 41 41 CYS C C 175.957 0.300 1 387 41 41 CYS CA C 56.623 0.300 1 388 41 41 CYS CB C 35.033 0.300 1 389 41 41 CYS N N 119.004 0.300 1 390 42 42 ALA H H 8.661 0.030 1 391 42 42 ALA HA H 4.054 0.030 1 392 42 42 ALA HB H 1.421 0.030 1 393 42 42 ALA C C 181.314 0.300 1 394 42 42 ALA CA C 55.512 0.300 1 395 42 42 ALA CB C 19.014 0.300 1 396 42 42 ALA N N 119.446 0.300 1 397 43 43 LEU H H 8.701 0.030 1 398 43 43 LEU HA H 3.900 0.030 1 399 43 43 LEU HB2 H 0.749 0.030 2 400 43 43 LEU HB3 H 0.477 0.030 2 401 43 43 LEU HD1 H 0.729 0.030 1 402 43 43 LEU HD2 H 0.690 0.030 1 403 43 43 LEU HG H 1.513 0.030 1 404 43 43 LEU C C 179.670 0.300 1 405 43 43 LEU CA C 58.049 0.300 1 406 43 43 LEU CB C 39.953 0.300 1 407 43 43 LEU CD1 C 25.412 0.300 2 408 43 43 LEU CD2 C 22.359 0.300 2 409 43 43 LEU CG C 27.095 0.300 1 410 43 43 LEU N N 120.250 0.300 1 411 44 44 CYS H H 8.180 0.030 1 412 44 44 CYS HA H 4.030 0.030 1 413 44 44 CYS HB2 H 2.644 0.030 2 414 44 44 CYS HB3 H 3.895 0.030 2 415 44 44 CYS C C 176.160 0.300 1 416 44 44 CYS CA C 66.208 0.300 1 417 44 44 CYS CB C 31.335 0.300 1 418 44 44 CYS N N 123.872 0.300 1 419 45 45 LYS H H 6.676 0.030 1 420 45 45 LYS HA H 3.994 0.030 1 421 45 45 LYS HB2 H 1.538 0.030 2 422 45 45 LYS HB3 H 1.888 0.030 2 423 45 45 LYS HD2 H 1.492 0.030 2 424 45 45 LYS HD3 H 2.101 0.030 2 425 45 45 LYS HE2 H 3.077 0.030 2 426 45 45 LYS HE3 H 2.971 0.030 2 427 45 45 LYS HG2 H 1.402 0.030 1 428 45 45 LYS HG3 H 1.402 0.030 1 429 45 45 LYS C C 175.071 0.300 1 430 45 45 LYS CA C 55.463 0.300 1 431 45 45 LYS CB C 33.820 0.300 1 432 45 45 LYS CD C 28.829 0.300 1 433 45 45 LYS CE C 42.696 0.300 1 434 45 45 LYS CG C 24.867 0.300 1 435 45 45 LYS N N 115.182 0.300 1 436 46 46 LEU H H 7.969 0.030 1 437 46 46 LEU HA H 4.241 0.030 1 438 46 46 LEU HB2 H 1.651 0.030 2 439 46 46 LEU HB3 H 1.582 0.030 2 440 46 46 LEU HD1 H 0.857 0.030 1 441 46 46 LEU HD2 H 0.851 0.030 1 442 46 46 LEU HG H 1.586 0.030 1 443 46 46 LEU C C 178.365 0.300 1 444 46 46 LEU CA C 57.763 0.300 1 445 46 46 LEU CB C 44.331 0.300 1 446 46 46 LEU CD1 C 23.629 0.300 2 447 46 46 LEU CD2 C 24.371 0.300 2 448 46 46 LEU CG C 26.988 0.300 1 449 46 46 LEU N N 118.461 0.300 1 450 47 47 VAL H H 8.034 0.030 1 451 47 47 VAL HA H 4.627 0.030 1 452 47 47 VAL HB H 2.344 0.030 1 453 47 47 VAL HG1 H 0.861 0.030 1 454 47 47 VAL HG2 H 0.768 0.030 1 455 47 47 VAL C C 176.476 0.300 1 456 47 47 VAL CA C 60.483 0.300 1 457 47 47 VAL CB C 34.906 0.300 1 458 47 47 VAL CG1 C 21.895 0.300 2 459 47 47 VAL CG2 C 18.938 0.300 2 460 47 47 VAL N N 107.167 0.300 1 461 48 48 GLY H H 7.461 0.030 1 462 48 48 GLY HA2 H 3.987 0.030 2 463 48 48 GLY HA3 H 4.635 0.030 2 464 48 48 GLY C C 175.404 0.300 1 465 48 48 GLY CA C 44.939 0.300 1 466 48 48 GLY N N 110.295 0.300 1 467 49 49 ARG H H 9.125 0.030 1 468 49 49 ARG HA H 4.119 0.030 1 469 49 49 ARG HB2 H 1.632 0.030 1 470 49 49 ARG HB3 H 1.632 0.030 1 471 49 49 ARG HD2 H 3.112 0.030 1 472 49 49 ARG HD3 H 3.112 0.030 1 473 49 49 ARG HG2 H 1.058 0.030 2 474 49 49 ARG HG3 H 1.495 0.030 2 475 49 49 ARG C C 176.268 0.300 1 476 49 49 ARG CA C 57.553 0.300 1 477 49 49 ARG CB C 29.819 0.300 1 478 49 49 ARG CD C 43.525 0.300 1 479 49 49 ARG CG C 27.309 0.300 1 480 49 49 ARG N N 118.207 0.300 1 481 50 50 HIS H H 7.493 0.030 1 482 50 50 HIS HA H 3.420 0.030 1 483 50 50 HIS HB2 H 3.215 0.030 2 484 50 50 HIS HB3 H 2.237 0.030 2 485 50 50 HIS HD2 H 7.062 0.030 1 486 50 50 HIS HE1 H 7.950 0.030 1 487 50 50 HIS C C 175.212 0.300 1 488 50 50 HIS CA C 53.202 0.300 1 489 50 50 HIS CB C 30.639 0.300 1 490 50 50 HIS CD2 C 121.257 0.300 1 491 50 50 HIS CE1 C 140.460 0.300 1 492 50 50 HIS N N 115.850 0.300 1 493 51 51 ARG H H 7.046 0.030 1 494 51 51 ARG HA H 4.635 0.030 1 495 51 51 ARG HB2 H 1.713 0.030 2 496 51 51 ARG HB3 H 1.590 0.030 2 497 51 51 ARG HD2 H 3.056 0.030 2 498 51 51 ARG HD3 H 3.113 0.030 2 499 51 51 ARG HG2 H 1.520 0.030 2 500 51 51 ARG HG3 H 1.620 0.030 2 501 51 51 ARG C C 177.771 0.300 1 502 51 51 ARG CA C 58.926 0.300 1 503 51 51 ARG CB C 30.812 0.300 1 504 51 51 ARG CD C 43.847 0.300 1 505 51 51 ARG CG C 26.105 0.300 1 506 51 51 ARG N N 121.020 0.300 1 507 52 52 ASP H H 8.628 0.030 1 508 52 52 ASP HA H 4.798 0.030 1 509 52 52 ASP HB2 H 2.901 0.030 2 510 52 52 ASP HB3 H 2.594 0.030 2 511 52 52 ASP CA C 53.252 0.300 1 512 52 52 ASP CB C 40.220 0.300 1 513 52 52 ASP N N 117.480 0.300 1 514 53 53 HIS H H 7.493 0.030 1 515 53 53 HIS HA H 4.775 0.030 1 516 53 53 HIS HB2 H 3.282 0.030 2 517 53 53 HIS HB3 H 3.421 0.030 2 518 53 53 HIS HD2 H 6.790 0.030 1 519 53 53 HIS HE1 H 7.844 0.030 1 520 53 53 HIS CA C 53.705 0.300 1 521 53 53 HIS CB C 33.976 0.300 1 522 53 53 HIS CD2 C 117.052 0.300 1 523 53 53 HIS CE1 C 141.061 0.300 1 524 53 53 HIS N N 119.223 0.300 1 525 54 54 GLN H H 8.196 0.030 1 526 54 54 GLN HA H 4.473 0.030 1 527 54 54 GLN HB2 H 1.976 0.030 1 528 54 54 GLN HB3 H 1.976 0.030 1 529 54 54 GLN HE21 H 6.916 0.030 2 530 54 54 GLN HE22 H 7.622 0.030 2 531 54 54 GLN HG2 H 2.462 0.030 2 532 54 54 GLN HG3 H 2.242 0.030 2 533 54 54 GLN C C 174.612 0.300 1 534 54 54 GLN CA C 55.509 0.300 1 535 54 54 GLN CB C 28.730 0.300 1 536 54 54 GLN CG C 33.512 0.300 1 537 54 54 GLN N N 121.891 0.300 1 538 54 54 GLN NE2 N 111.935 0.300 1 539 55 55 VAL H H 8.467 0.030 1 540 55 55 VAL HA H 5.453 0.030 1 541 55 55 VAL HB H 2.028 0.030 1 542 55 55 VAL HG1 H 0.924 0.030 1 543 55 55 VAL HG2 H 0.884 0.030 1 544 55 55 VAL C C 174.947 0.300 1 545 55 55 VAL CA C 59.300 0.300 1 546 55 55 VAL CB C 35.765 0.300 1 547 55 55 VAL CG1 C 22.641 0.300 2 548 55 55 VAL CG2 C 19.365 0.300 2 549 55 55 VAL N N 118.534 0.300 1 550 56 56 ALA H H 9.424 0.030 1 551 56 56 ALA HA H 4.818 0.030 1 552 56 56 ALA HB H 1.488 0.030 1 553 56 56 ALA C C 176.257 0.300 1 554 56 56 ALA CA C 50.413 0.300 1 555 56 56 ALA CB C 23.006 0.300 1 556 56 56 ALA N N 125.331 0.300 1 557 57 57 SER H H 8.815 0.030 1 558 57 57 SER HA H 4.623 0.030 1 559 57 57 SER HB2 H 4.104 0.030 2 560 57 57 SER HB3 H 3.958 0.030 2 561 57 57 SER C C 175.093 0.300 1 562 57 57 SER CA C 58.568 0.300 1 563 57 57 SER CB C 63.992 0.300 1 564 57 57 SER N N 115.942 0.300 1 565 58 58 LEU H H 8.351 0.030 1 566 58 58 LEU HA H 4.114 0.030 1 567 58 58 LEU HB2 H 1.417 0.030 2 568 58 58 LEU HB3 H 1.547 0.030 2 569 58 58 LEU HD1 H 0.745 0.030 1 570 58 58 LEU HD2 H 0.673 0.030 1 571 58 58 LEU HG H 1.416 0.030 1 572 58 58 LEU C C 177.737 0.300 1 573 58 58 LEU CA C 56.417 0.300 1 574 58 58 LEU CB C 41.540 0.300 1 575 58 58 LEU CD1 C 25.459 0.300 2 576 58 58 LEU CD2 C 23.607 0.300 2 577 58 58 LEU CG C 27.032 0.300 1 578 58 58 LEU N N 122.117 0.300 1 579 59 59 ASN H H 8.285 0.030 1 580 59 59 ASN HA H 4.533 0.030 1 581 59 59 ASN HB2 H 2.799 0.030 1 582 59 59 ASN HB3 H 2.799 0.030 1 583 59 59 ASN HD21 H 7.675 0.030 2 584 59 59 ASN HD22 H 6.958 0.030 2 585 59 59 ASN C C 175.912 0.300 1 586 59 59 ASN CA C 54.391 0.300 1 587 59 59 ASN CB C 38.734 0.300 1 588 59 59 ASN N N 116.885 0.300 1 589 59 59 ASN ND2 N 113.012 0.300 1 590 60 60 ASP H H 7.996 0.030 1 591 60 60 ASP HA H 4.503 0.030 1 592 60 60 ASP HB2 H 2.708 0.030 1 593 60 60 ASP HB3 H 2.708 0.030 1 594 60 60 ASP C C 177.054 0.300 1 595 60 60 ASP CA C 55.744 0.300 1 596 60 60 ASP CB C 40.962 0.300 1 597 60 60 ASP N N 119.356 0.300 1 598 61 61 ARG H H 7.810 0.030 1 599 61 61 ARG HA H 4.011 0.030 1 600 61 61 ARG HB2 H 1.591 0.030 2 601 61 61 ARG HB3 H 1.477 0.030 2 602 61 61 ARG HD2 H 2.738 0.030 2 603 61 61 ARG HD3 H 2.838 0.030 2 604 61 61 ARG HG2 H 1.184 0.030 1 605 61 61 ARG HG3 H 1.184 0.030 1 606 61 61 ARG C C 176.761 0.300 1 607 61 61 ARG CA C 56.918 0.300 1 608 61 61 ARG CB C 29.841 0.300 1 609 61 61 ARG CD C 42.933 0.300 1 610 61 61 ARG CG C 26.600 0.300 1 611 61 61 ARG N N 119.339 0.300 1 612 62 62 PHE H H 8.018 0.030 1 613 62 62 PHE HA H 4.379 0.030 1 614 62 62 PHE HB2 H 3.171 0.030 2 615 62 62 PHE HB3 H 3.028 0.030 2 616 62 62 PHE HD1 H 7.158 0.030 1 617 62 62 PHE HD2 H 7.158 0.030 1 618 62 62 PHE HE1 H 7.203 0.030 1 619 62 62 PHE HE2 H 7.203 0.030 1 620 62 62 PHE HZ H 7.150 0.030 1 621 62 62 PHE C C 176.558 0.300 1 622 62 62 PHE CA C 59.192 0.300 1 623 62 62 PHE CB C 38.981 0.300 1 624 62 62 PHE CD1 C 131.593 0.300 1 625 62 62 PHE CD2 C 131.593 0.300 1 626 62 62 PHE CE1 C 131.440 0.300 1 627 62 62 PHE CE2 C 131.440 0.300 1 628 62 62 PHE CZ C 129.623 0.300 1 629 62 62 PHE N N 118.824 0.300 1 630 63 63 GLU H H 8.246 0.030 1 631 63 63 GLU HA H 4.045 0.030 1 632 63 63 GLU HB2 H 2.026 0.030 1 633 63 63 GLU HB3 H 2.026 0.030 1 634 63 63 GLU HG2 H 2.290 0.030 1 635 63 63 GLU HG3 H 2.290 0.030 1 636 63 63 GLU C C 177.772 0.300 1 637 63 63 GLU CA C 58.229 0.300 1 638 63 63 GLU CB C 29.819 0.300 1 639 63 63 GLU CG C 36.158 0.300 1 640 63 63 GLU N N 120.449 0.300 1 641 64 64 LYS H H 8.036 0.030 1 642 64 64 LYS HA H 4.156 0.030 1 643 64 64 LYS HB2 H 1.805 0.030 1 644 64 64 LYS HB3 H 1.805 0.030 1 645 64 64 LYS HD2 H 1.637 0.030 1 646 64 64 LYS HD3 H 1.637 0.030 1 647 64 64 LYS HE2 H 2.952 0.030 1 648 64 64 LYS HE3 H 2.952 0.030 1 649 64 64 LYS HG2 H 1.416 0.030 1 650 64 64 LYS HG3 H 1.416 0.030 1 651 64 64 LYS C C 178.051 0.300 1 652 64 64 LYS CA C 57.508 0.300 1 653 64 64 LYS CB C 32.402 0.300 1 654 64 64 LYS CD C 29.013 0.300 1 655 64 64 LYS CE C 42.165 0.300 1 656 64 64 LYS CG C 25.114 0.300 1 657 64 64 LYS N N 119.737 0.300 1 658 65 65 LEU H H 7.918 0.030 1 659 65 65 LEU HA H 4.162 0.030 1 660 65 65 LEU HB2 H 1.628 0.030 2 661 65 65 LEU HB3 H 1.570 0.030 2 662 65 65 LEU HD1 H 0.837 0.030 1 663 65 65 LEU HD2 H 0.820 0.030 1 664 65 65 LEU HG H 1.583 0.030 1 665 65 65 LEU C C 178.048 0.300 1 666 65 65 LEU CA C 56.663 0.300 1 667 65 65 LEU CB C 41.964 0.300 1 668 65 65 LEU CD1 C 24.867 0.300 2 669 65 65 LEU CD2 C 23.876 0.300 2 670 65 65 LEU CG C 27.015 0.300 1 671 65 65 LEU N N 121.429 0.300 1 672 66 66 LYS H H 8.078 0.030 1 673 66 66 LYS HA H 4.013 0.030 1 674 66 66 LYS HB2 H 1.816 0.030 2 675 66 66 LYS HB3 H 1.727 0.030 2 676 66 66 LYS HD2 H 1.657 0.030 1 677 66 66 LYS HD3 H 1.657 0.030 1 678 66 66 LYS HE2 H 2.969 0.030 2 679 66 66 LYS HE3 H 2.928 0.030 2 680 66 66 LYS HG2 H 1.344 0.030 1 681 66 66 LYS HG3 H 1.344 0.030 1 682 66 66 LYS C C 177.444 0.300 1 683 66 66 LYS CA C 58.296 0.300 1 684 66 66 LYS CB C 32.421 0.300 1 685 66 66 LYS CD C 29.087 0.300 1 686 66 66 LYS CE C 42.191 0.300 1 687 66 66 LYS CG C 24.805 0.300 1 688 66 66 LYS N N 120.433 0.300 1 689 67 67 GLN H H 8.108 0.030 1 690 67 67 GLN HA H 4.258 0.030 1 691 67 67 GLN HB2 H 2.130 0.030 2 692 67 67 GLN HB3 H 2.087 0.030 2 693 67 67 GLN HE21 H 7.561 0.030 2 694 67 67 GLN HE22 H 6.849 0.030 2 695 67 67 GLN HG2 H 2.461 0.030 2 696 67 67 GLN HG3 H 2.383 0.030 2 697 67 67 GLN C C 177.230 0.300 1 698 67 67 GLN CA C 57.270 0.300 1 699 67 67 GLN CB C 29.012 0.300 1 700 67 67 GLN CG C 33.944 0.300 1 701 67 67 GLN N N 119.006 0.300 1 702 67 67 GLN NE2 N 112.005 0.300 1 703 68 68 THR H H 8.055 0.030 1 704 68 68 THR HA H 4.195 0.030 1 705 68 68 THR HB H 4.270 0.030 1 706 68 68 THR HG2 H 1.224 0.030 1 707 68 68 THR C C 175.254 0.300 1 708 68 68 THR CA C 63.763 0.300 1 709 68 68 THR CB C 69.539 0.300 1 710 68 68 THR CG2 C 21.761 0.300 1 711 68 68 THR N N 115.291 0.300 1 712 69 69 LEU H H 8.169 0.030 1 713 69 69 LEU HA H 4.229 0.030 1 714 69 69 LEU HB2 H 1.591 0.030 1 715 69 69 LEU HB3 H 1.591 0.030 1 716 69 69 LEU HD1 H 0.858 0.030 1 717 69 69 LEU HD2 H 0.855 0.030 1 718 69 69 LEU HG H 1.670 0.030 1 719 69 69 LEU C C 178.071 0.300 1 720 69 69 LEU CA C 56.407 0.300 1 721 69 69 LEU CB C 41.953 0.300 1 722 69 69 LEU CD1 C 23.531 0.300 1 723 69 69 LEU CD2 C 23.531 0.300 1 724 69 69 LEU CG C 26.848 0.300 1 725 69 69 LEU N N 123.274 0.300 1 726 70 70 GLU H H 8.234 0.030 1 727 70 70 GLU HA H 4.159 0.030 1 728 70 70 GLU HB2 H 2.028 0.030 1 729 70 70 GLU HB3 H 2.028 0.030 1 730 70 70 GLU HG2 H 2.322 0.030 2 731 70 70 GLU HG3 H 2.235 0.030 2 732 70 70 GLU C C 177.307 0.300 1 733 70 70 GLU CA C 57.443 0.300 1 734 70 70 GLU CB C 29.799 0.300 1 735 70 70 GLU CG C 36.534 0.300 1 736 70 70 GLU N N 119.969 0.300 1 737 71 71 MET H H 8.121 0.030 1 738 71 71 MET HA H 4.379 0.030 1 739 71 71 MET HB2 H 2.087 0.030 1 740 71 71 MET HB3 H 2.087 0.030 1 741 71 71 MET HE H 2.090 0.030 1 742 71 71 MET HG2 H 2.630 0.030 2 743 71 71 MET HG3 H 2.543 0.030 2 744 71 71 MET C C 176.355 0.300 1 745 71 71 MET CA C 56.375 0.300 1 746 71 71 MET CB C 32.670 0.300 1 747 71 71 MET CE C 16.989 0.300 1 748 71 71 MET CG C 32.257 0.300 1 749 71 71 MET N N 119.935 0.300 1 750 72 72 ASN H H 8.316 0.030 1 751 72 72 ASN HA H 4.681 0.030 1 752 72 72 ASN HB2 H 2.802 0.030 1 753 72 72 ASN HB3 H 2.802 0.030 1 754 72 72 ASN HD21 H 6.963 0.030 2 755 72 72 ASN HD22 H 7.619 0.030 2 756 72 72 ASN C C 175.669 0.300 1 757 72 72 ASN CA C 53.622 0.300 1 758 72 72 ASN CB C 38.712 0.300 1 759 72 72 ASN N N 118.923 0.300 1 760 72 72 ASN ND2 N 112.700 0.300 1 761 73 73 LEU H H 8.190 0.030 1 762 73 73 LEU HA H 4.338 0.030 1 763 73 73 LEU HB2 H 1.740 0.030 1 764 73 73 LEU HB3 H 1.740 0.030 1 765 73 73 LEU HD1 H 0.861 0.030 1 766 73 73 LEU HD2 H 0.919 0.030 1 767 73 73 LEU HG H 1.674 0.030 1 768 73 73 LEU C C 178.029 0.300 1 769 73 73 LEU CA C 55.902 0.300 1 770 73 73 LEU CB C 42.170 0.300 1 771 73 73 LEU CD1 C 23.396 0.300 2 772 73 73 LEU CD2 C 25.151 0.300 2 773 73 73 LEU CG C 26.888 0.300 1 774 73 73 LEU N N 121.786 0.300 1 775 74 74 THR H H 8.049 0.030 1 776 74 74 THR HA H 4.243 0.030 1 777 74 74 THR HB H 4.263 0.030 1 778 74 74 THR HG2 H 1.219 0.030 1 779 74 74 THR C C 174.597 0.300 1 780 74 74 THR CA C 62.960 0.300 1 781 74 74 THR CB C 69.517 0.300 1 782 74 74 THR CG2 C 21.705 0.300 1 783 74 74 THR N N 113.345 0.300 1 784 75 75 ASN H H 8.251 0.030 1 785 75 75 ASN HA H 4.677 0.030 1 786 75 75 ASN HB2 H 2.830 0.030 2 787 75 75 ASN HB3 H 2.748 0.030 2 788 75 75 ASN HD21 H 6.898 0.030 2 789 75 75 ASN HD22 H 7.607 0.030 2 790 75 75 ASN C C 175.127 0.300 1 791 75 75 ASN CA C 53.435 0.300 1 792 75 75 ASN CB C 38.646 0.300 1 793 75 75 ASN N N 120.029 0.300 1 794 75 75 ASN ND2 N 112.600 0.300 1 795 76 76 LEU H H 8.029 0.030 1 796 76 76 LEU HA H 4.321 0.030 1 797 76 76 LEU HB2 H 1.667 0.030 2 798 76 76 LEU HB3 H 1.598 0.030 2 799 76 76 LEU HD1 H 0.857 0.030 1 800 76 76 LEU HD2 H 0.901 0.030 1 801 76 76 LEU HG H 1.671 0.030 1 802 76 76 LEU C C 177.357 0.300 1 803 76 76 LEU CA C 55.630 0.300 1 804 76 76 LEU CB C 42.341 0.300 1 805 76 76 LEU CD1 C 23.540 0.300 2 806 76 76 LEU CD2 C 24.978 0.300 2 807 76 76 LEU CG C 27.095 0.300 1 808 76 76 LEU N N 121.967 0.300 1 809 77 77 VAL H H 8.020 0.030 1 810 77 77 VAL HA H 4.060 0.030 1 811 77 77 VAL HB H 2.059 0.030 1 812 77 77 VAL HG1 H 0.946 0.030 1 813 77 77 VAL HG2 H 0.916 0.030 1 814 77 77 VAL C C 176.166 0.300 1 815 77 77 VAL CA C 62.520 0.300 1 816 77 77 VAL CB C 32.567 0.300 1 817 77 77 VAL CG1 C 20.907 0.300 2 818 77 77 VAL CG2 C 21.040 0.300 2 819 77 77 VAL N N 120.909 0.300 1 820 78 78 LYS H H 8.367 0.030 1 821 78 78 LYS HA H 4.379 0.030 1 822 78 78 LYS HB2 H 1.765 0.030 1 823 78 78 LYS HB3 H 1.765 0.030 1 824 78 78 LYS HD2 H 1.693 0.030 1 825 78 78 LYS HD3 H 1.693 0.030 1 826 78 78 LYS HE2 H 2.975 0.030 1 827 78 78 LYS HE3 H 2.975 0.030 1 828 78 78 LYS HG2 H 1.414 0.030 1 829 78 78 LYS HG3 H 1.414 0.030 1 830 78 78 LYS C C 176.430 0.300 1 831 78 78 LYS CA C 56.183 0.300 1 832 78 78 LYS CB C 32.991 0.300 1 833 78 78 LYS CD C 29.049 0.300 1 834 78 78 LYS CE C 42.209 0.300 1 835 78 78 LYS CG C 24.772 0.300 1 836 78 78 LYS N N 125.432 0.300 1 837 79 79 SER H H 8.321 0.030 1 838 79 79 SER HA H 4.488 0.030 1 839 79 79 SER HB2 H 3.901 0.030 1 840 79 79 SER HB3 H 3.901 0.030 1 841 79 79 SER C C 174.490 0.300 1 842 79 79 SER CA C 58.185 0.300 1 843 79 79 SER CB C 63.973 0.300 1 844 79 79 SER N N 117.371 0.300 1 845 80 80 GLY H H 8.268 0.030 1 846 80 80 GLY HA2 H 4.120 0.030 1 847 80 80 GLY HA3 H 4.120 0.030 1 848 80 80 GLY C C 171.778 0.300 1 849 80 80 GLY CA C 44.657 0.300 1 850 80 80 GLY N N 110.713 0.300 1 stop_ save_