data_11309 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal zinc finger domain of mouse cell growth regulating nucleolar protein LYAR ; _BMRB_accession_number 11309 _BMRB_flat_file_name bmr11309.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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Muto Y. . . 7 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" 408 "13C chemical shifts" 299 "15N chemical shifts" 72 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 N-terminal zinc finger domain of mouse cell growth regulating nucleolar protein LYAR ; _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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Muto Y. . . 7 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 'Cell growth regulating nucleolar protein LYAR' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Zinc finger DNA binding domain' $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 'Zinc finger DNA binding domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; GSSGSSGMVFFTCNACGESV KKIQVEKHVSNCRNCECLSC IDCGKDFWGDDYKSHVKCIS EGQKYGGKGYEAKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 VAL 10 PHE 11 PHE 12 THR 13 CYS 14 ASN 15 ALA 16 CYS 17 GLY 18 GLU 19 SER 20 VAL 21 LYS 22 LYS 23 ILE 24 GLN 25 VAL 26 GLU 27 LYS 28 HIS 29 VAL 30 SER 31 ASN 32 CYS 33 ARG 34 ASN 35 CYS 36 GLU 37 CYS 38 LEU 39 SER 40 CYS 41 ILE 42 ASP 43 CYS 44 GLY 45 LYS 46 ASP 47 PHE 48 TRP 49 GLY 50 ASP 51 ASP 52 TYR 53 LYS 54 SER 55 HIS 56 VAL 57 LYS 58 CYS 59 ILE 60 SER 61 GLU 62 GLY 63 GLN 64 LYS 65 TYR 66 GLY 67 GLY 68 LYS 69 GLY 70 TYR 71 GLU 72 ALA 73 LYS 74 SER 75 GLY 76 PRO 77 SER 78 SER 79 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-27 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 1WJV "Solution Structure Of The N-Terminal Zinc Finger Domain Of Mouse Cell Growth Regulating Nucleolar Protein Lyar" 100.00 79 100.00 100.00 7.90e-48 DBJ BAB24554 "unnamed protein product [Mus musculus]" 84.81 388 98.51 100.00 1.34e-40 DBJ BAC36458 "unnamed protein product [Mus musculus]" 84.81 179 98.51 100.00 3.64e-41 GB AAB26644 "LYAR [Mus sp.]" 84.81 388 97.01 98.51 2.49e-39 GB AAI16924 "Ly1 antibody reactive clone [Mus musculus]" 84.81 388 98.51 100.00 1.41e-40 GB AAI16928 "Ly1 antibody reactive clone [Mus musculus]" 84.81 388 98.51 100.00 1.41e-40 GB EDL37545 "Ly1 antibody reactive clone, isoform CRA_a [Mus musculus]" 50.63 40 100.00 100.00 2.65e-19 GB EDL37546 "Ly1 antibody reactive clone, isoform CRA_b [Mus musculus]" 84.81 388 98.51 100.00 1.41e-40 REF NP_079557 "cell growth-regulating nucleolar protein [Mus musculus]" 84.81 388 98.51 100.00 1.41e-40 REF XP_006503822 "PREDICTED: cell growth-regulating nucleolar protein isoform X1 [Mus musculus]" 84.81 388 98.51 100.00 1.41e-40 REF XP_006503823 "PREDICTED: cell growth-regulating nucleolar protein isoform X1 [Mus musculus]" 84.81 388 98.51 100.00 1.41e-40 REF XP_006503824 "PREDICTED: cell growth-regulating nucleolar protein isoform X1 [Mus musculus]" 84.81 388 98.51 100.00 1.41e-40 REF XP_006503825 "PREDICTED: cell growth-regulating nucleolar protein isoform X1 [Mus musculus]" 84.81 388 98.51 100.00 1.41e-40 SP Q08288 "RecName: Full=Cell growth-regulating nucleolar protein; AltName: Full=Protein expressed in male leptotene and zygotene spermato" 84.81 388 98.51 100.00 1.41e-40 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 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P030421-25 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1mM zinc finger DNA binding domain U-15N, {13C;} 20mM {d-Tris-HCl;} 200mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 100uM {ZnCl2;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 200 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 100 uM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delagio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Jhonson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_KUJIRA _Saveframe_category software _Name Kujira _Version 0.896 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 800 _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' 220 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 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 'Zinc finger DNA binding 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 4.013 0.030 1 2 7 7 GLY HA3 H 4.013 0.030 1 3 7 7 GLY CA C 45.630 0.300 1 4 8 8 MET H H 8.122 0.030 1 5 8 8 MET HA H 4.620 0.030 1 6 8 8 MET HB2 H 2.072 0.030 2 7 8 8 MET HB3 H 2.003 0.030 2 8 8 8 MET HE H 2.154 0.030 1 9 8 8 MET HG2 H 2.455 0.030 2 10 8 8 MET HG3 H 2.331 0.030 2 11 8 8 MET C C 174.540 0.300 1 12 8 8 MET CA C 54.504 0.300 1 13 8 8 MET CB C 32.353 0.300 1 14 8 8 MET CE C 16.452 0.300 1 15 8 8 MET CG C 31.778 0.300 1 16 8 8 MET N N 121.058 0.300 1 17 9 9 VAL H H 7.763 0.030 1 18 9 9 VAL HA H 4.272 0.030 1 19 9 9 VAL HB H 1.712 0.030 1 20 9 9 VAL HG1 H 0.553 0.030 1 21 9 9 VAL HG2 H 0.802 0.030 1 22 9 9 VAL C C 174.487 0.300 1 23 9 9 VAL CA C 61.928 0.300 1 24 9 9 VAL CB C 33.691 0.300 1 25 9 9 VAL CG1 C 22.541 0.300 2 26 9 9 VAL CG2 C 21.336 0.300 2 27 9 9 VAL N N 125.717 0.300 1 28 10 10 PHE H H 9.230 0.030 1 29 10 10 PHE HA H 4.942 0.030 1 30 10 10 PHE HB2 H 2.783 0.030 2 31 10 10 PHE HB3 H 2.631 0.030 2 32 10 10 PHE HD1 H 7.051 0.030 1 33 10 10 PHE HD2 H 7.051 0.030 1 34 10 10 PHE HE1 H 7.281 0.030 1 35 10 10 PHE HE2 H 7.281 0.030 1 36 10 10 PHE HZ H 7.284 0.030 1 37 10 10 PHE C C 174.097 0.300 1 38 10 10 PHE CA C 56.278 0.300 1 39 10 10 PHE CB C 43.803 0.300 1 40 10 10 PHE CD1 C 131.766 0.300 1 41 10 10 PHE CD2 C 131.766 0.300 1 42 10 10 PHE CE1 C 131.624 0.300 1 43 10 10 PHE CE2 C 131.624 0.300 1 44 10 10 PHE CZ C 129.593 0.300 1 45 10 10 PHE N N 126.428 0.300 1 46 11 11 PHE H H 8.991 0.030 1 47 11 11 PHE HA H 5.533 0.030 1 48 11 11 PHE HB2 H 2.823 0.030 2 49 11 11 PHE HB3 H 2.416 0.030 2 50 11 11 PHE HD1 H 6.840 0.030 1 51 11 11 PHE HD2 H 6.840 0.030 1 52 11 11 PHE HE1 H 6.908 0.030 1 53 11 11 PHE HE2 H 6.908 0.030 1 54 11 11 PHE HZ H 7.415 0.030 1 55 11 11 PHE C C 175.640 0.300 1 56 11 11 PHE CA C 55.215 0.300 1 57 11 11 PHE CB C 45.402 0.300 1 58 11 11 PHE CD1 C 132.135 0.300 1 59 11 11 PHE CD2 C 132.135 0.300 1 60 11 11 PHE CE1 C 130.080 0.300 1 61 11 11 PHE CE2 C 130.080 0.300 1 62 11 11 PHE CZ C 130.335 0.300 1 63 11 11 PHE N N 116.487 0.300 1 64 12 12 THR H H 9.732 0.030 1 65 12 12 THR HA H 4.992 0.030 1 66 12 12 THR HB H 3.819 0.030 1 67 12 12 THR HG2 H 1.018 0.030 1 68 12 12 THR C C 175.031 0.300 1 69 12 12 THR CA C 61.270 0.300 1 70 12 12 THR CB C 70.255 0.300 1 71 12 12 THR CG2 C 22.215 0.300 1 72 12 12 THR N N 116.554 0.300 1 73 13 13 CYS H H 8.455 0.030 1 74 13 13 CYS HA H 4.476 0.030 1 75 13 13 CYS HB2 H 3.213 0.030 2 76 13 13 CYS HB3 H 2.438 0.030 2 77 13 13 CYS C C 177.223 0.300 1 78 13 13 CYS CA C 59.377 0.300 1 79 13 13 CYS CB C 30.729 0.300 1 80 13 13 CYS N N 128.893 0.300 1 81 14 14 ASN H H 8.512 0.030 1 82 14 14 ASN HA H 4.406 0.030 1 83 14 14 ASN HB2 H 2.810 0.030 1 84 14 14 ASN HB3 H 2.810 0.030 1 85 14 14 ASN HD21 H 7.366 0.030 2 86 14 14 ASN HD22 H 7.319 0.030 2 87 14 14 ASN C C 174.616 0.300 1 88 14 14 ASN CA C 56.526 0.300 1 89 14 14 ASN CB C 38.436 0.300 1 90 14 14 ASN N N 128.852 0.300 1 91 14 14 ASN ND2 N 115.546 0.300 1 92 15 15 ALA H H 9.120 0.030 1 93 15 15 ALA HA H 4.382 0.030 1 94 15 15 ALA HB H 1.321 0.030 1 95 15 15 ALA C C 178.447 0.300 1 96 15 15 ALA CA C 54.316 0.300 1 97 15 15 ALA CB C 20.065 0.300 1 98 15 15 ALA N N 125.971 0.300 1 99 16 16 CYS H H 8.168 0.030 1 100 16 16 CYS HA H 5.036 0.030 1 101 16 16 CYS HB2 H 3.364 0.030 2 102 16 16 CYS HB3 H 2.748 0.030 2 103 16 16 CYS C C 177.039 0.300 1 104 16 16 CYS CA C 58.133 0.300 1 105 16 16 CYS CB C 32.498 0.300 1 106 16 16 CYS N N 116.067 0.300 1 107 17 17 GLY H H 8.009 0.030 1 108 17 17 GLY HA2 H 4.190 0.030 2 109 17 17 GLY HA3 H 3.848 0.030 2 110 17 17 GLY C C 173.886 0.300 1 111 17 17 GLY CA C 46.273 0.300 1 112 17 17 GLY N N 113.646 0.300 1 113 18 18 GLU H H 8.599 0.030 1 114 18 18 GLU HA H 4.229 0.030 1 115 18 18 GLU HB2 H 2.062 0.030 2 116 18 18 GLU HB3 H 1.813 0.030 2 117 18 18 GLU HG2 H 2.559 0.030 2 118 18 18 GLU HG3 H 2.289 0.030 2 119 18 18 GLU C C 175.532 0.300 1 120 18 18 GLU CA C 57.394 0.300 1 121 18 18 GLU CB C 31.052 0.300 1 122 18 18 GLU CG C 37.076 0.300 1 123 18 18 GLU N N 123.286 0.300 1 124 19 19 SER H H 8.411 0.030 1 125 19 19 SER HA H 5.195 0.030 1 126 19 19 SER HB2 H 3.761 0.030 2 127 19 19 SER HB3 H 3.686 0.030 2 128 19 19 SER C C 174.814 0.300 1 129 19 19 SER CA C 57.238 0.300 1 130 19 19 SER CB C 63.648 0.300 1 131 19 19 SER N N 116.497 0.300 1 132 20 20 VAL H H 9.805 0.030 1 133 20 20 VAL HA H 4.373 0.030 1 134 20 20 VAL HB H 1.759 0.030 1 135 20 20 VAL HG1 H 0.699 0.030 1 136 20 20 VAL HG2 H 0.297 0.030 1 137 20 20 VAL C C 175.324 0.300 1 138 20 20 VAL CA C 60.401 0.300 1 139 20 20 VAL CB C 34.918 0.300 1 140 20 20 VAL CG1 C 21.989 0.300 2 141 20 20 VAL CG2 C 19.417 0.300 2 142 20 20 VAL N N 126.198 0.300 1 143 21 21 LYS H H 8.654 0.030 1 144 21 21 LYS HA H 3.904 0.030 1 145 21 21 LYS HB2 H 1.691 0.030 2 146 21 21 LYS HB3 H 1.428 0.030 2 147 21 21 LYS HD2 H 1.603 0.030 1 148 21 21 LYS HD3 H 1.603 0.030 1 149 21 21 LYS HE2 H 3.003 0.030 1 150 21 21 LYS HE3 H 3.003 0.030 1 151 21 21 LYS HG2 H 1.170 0.030 2 152 21 21 LYS HG3 H 1.081 0.030 2 153 21 21 LYS C C 179.022 0.300 1 154 21 21 LYS CA C 56.737 0.300 1 155 21 21 LYS CB C 34.011 0.300 1 156 21 21 LYS CD C 30.043 0.300 1 157 21 21 LYS CE C 42.110 0.300 1 158 21 21 LYS CG C 25.980 0.300 1 159 21 21 LYS N N 126.217 0.300 1 160 22 22 LYS H H 8.685 0.030 1 161 22 22 LYS HA H 4.069 0.030 1 162 22 22 LYS HB2 H 2.171 0.030 2 163 22 22 LYS HB3 H 2.023 0.030 2 164 22 22 LYS HD2 H 1.910 0.030 1 165 22 22 LYS HD3 H 1.910 0.030 1 166 22 22 LYS HE2 H 3.157 0.030 2 167 22 22 LYS HE3 H 3.084 0.030 2 168 22 22 LYS HG2 H 1.757 0.030 2 169 22 22 LYS HG3 H 1.570 0.030 2 170 22 22 LYS C C 178.390 0.300 1 171 22 22 LYS CA C 61.269 0.300 1 172 22 22 LYS CB C 33.010 0.300 1 173 22 22 LYS CD C 29.796 0.300 1 174 22 22 LYS CE C 42.977 0.300 1 175 22 22 LYS CG C 25.555 0.300 1 176 22 22 LYS N N 124.049 0.300 1 177 23 23 ILE H H 7.390 0.030 1 178 23 23 ILE HA H 4.370 0.030 1 179 23 23 ILE HB H 2.177 0.030 1 180 23 23 ILE HD1 H 0.999 0.030 1 181 23 23 ILE HG12 H 1.442 0.030 2 182 23 23 ILE HG13 H 1.301 0.030 2 183 23 23 ILE HG2 H 1.062 0.030 1 184 23 23 ILE C C 175.810 0.300 1 185 23 23 ILE CA C 62.948 0.300 1 186 23 23 ILE CB C 38.343 0.300 1 187 23 23 ILE CD1 C 14.369 0.300 1 188 23 23 ILE CG1 C 27.782 0.300 1 189 23 23 ILE CG2 C 18.096 0.300 1 190 23 23 ILE N N 110.101 0.300 1 191 24 24 GLN H H 8.093 0.030 1 192 24 24 GLN HA H 4.724 0.030 1 193 24 24 GLN HB2 H 2.468 0.030 2 194 24 24 GLN HB3 H 2.108 0.030 2 195 24 24 GLN HG2 H 2.469 0.030 2 196 24 24 GLN HG3 H 2.393 0.030 2 197 24 24 GLN C C 176.566 0.300 1 198 24 24 GLN CA C 55.183 0.300 1 199 24 24 GLN CB C 30.359 0.300 1 200 24 24 GLN CG C 34.585 0.300 1 201 24 24 GLN N N 119.237 0.300 1 202 25 25 VAL H H 7.484 0.030 1 203 25 25 VAL HA H 3.229 0.030 1 204 25 25 VAL HB H 1.689 0.030 1 205 25 25 VAL HG1 H -0.087 0.030 1 206 25 25 VAL HG2 H 0.594 0.030 1 207 25 25 VAL C C 176.583 0.300 1 208 25 25 VAL CA C 68.029 0.300 1 209 25 25 VAL CB C 31.527 0.300 1 210 25 25 VAL CG1 C 22.027 0.300 2 211 25 25 VAL CG2 C 24.040 0.300 2 212 25 25 VAL N N 122.618 0.300 1 213 26 26 GLU H H 8.572 0.030 1 214 26 26 GLU HA H 3.927 0.030 1 215 26 26 GLU HB2 H 2.066 0.030 1 216 26 26 GLU HB3 H 2.066 0.030 1 217 26 26 GLU HG2 H 2.382 0.030 2 218 26 26 GLU HG3 H 2.297 0.030 2 219 26 26 GLU C C 179.520 0.300 1 220 26 26 GLU CA C 60.448 0.300 1 221 26 26 GLU CB C 28.960 0.300 1 222 26 26 GLU CG C 36.799 0.300 1 223 26 26 GLU N N 118.246 0.300 1 224 27 27 LYS H H 7.904 0.030 1 225 27 27 LYS HA H 4.096 0.030 1 226 27 27 LYS HB2 H 1.905 0.030 1 227 27 27 LYS HB3 H 1.905 0.030 1 228 27 27 LYS HD2 H 1.734 0.030 1 229 27 27 LYS HD3 H 1.734 0.030 1 230 27 27 LYS HE2 H 3.011 0.030 1 231 27 27 LYS HE3 H 3.011 0.030 1 232 27 27 LYS HG2 H 1.496 0.030 1 233 27 27 LYS HG3 H 1.496 0.030 1 234 27 27 LYS C C 179.085 0.300 1 235 27 27 LYS CA C 58.522 0.300 1 236 27 27 LYS CB C 32.046 0.300 1 237 27 27 LYS CD C 29.049 0.300 1 238 27 27 LYS CE C 42.235 0.300 1 239 27 27 LYS CG C 25.018 0.300 1 240 27 27 LYS N N 119.257 0.300 1 241 28 28 HIS H H 8.443 0.030 1 242 28 28 HIS HA H 4.113 0.030 1 243 28 28 HIS HB2 H 3.377 0.030 2 244 28 28 HIS HB3 H 3.180 0.030 2 245 28 28 HIS HD2 H 6.884 0.030 1 246 28 28 HIS HE1 H 7.989 0.030 1 247 28 28 HIS C C 177.813 0.300 1 248 28 28 HIS CA C 60.827 0.300 1 249 28 28 HIS CB C 29.289 0.300 1 250 28 28 HIS CD2 C 126.718 0.300 1 251 28 28 HIS CE1 C 140.852 0.300 1 252 28 28 HIS N N 121.006 0.300 1 253 29 29 VAL H H 8.868 0.030 1 254 29 29 VAL HA H 3.699 0.030 1 255 29 29 VAL HB H 2.206 0.030 1 256 29 29 VAL HG1 H 1.027 0.030 1 257 29 29 VAL HG2 H 1.073 0.030 1 258 29 29 VAL C C 177.555 0.300 1 259 29 29 VAL CA C 65.750 0.300 1 260 29 29 VAL CB C 31.660 0.300 1 261 29 29 VAL CG1 C 21.705 0.300 2 262 29 29 VAL CG2 C 22.260 0.300 2 263 29 29 VAL N N 116.527 0.300 1 264 30 30 SER H H 7.348 0.030 1 265 30 30 SER HA H 4.223 0.030 1 266 30 30 SER HB2 H 3.964 0.030 1 267 30 30 SER HB3 H 3.964 0.030 1 268 30 30 SER C C 174.681 0.300 1 269 30 30 SER CA C 61.103 0.300 1 270 30 30 SER CB C 63.212 0.300 1 271 30 30 SER N N 113.393 0.300 1 272 31 31 ASN H H 7.154 0.030 1 273 31 31 ASN HA H 4.870 0.030 1 274 31 31 ASN HB2 H 2.794 0.030 2 275 31 31 ASN HB3 H 2.560 0.030 2 276 31 31 ASN HD21 H 7.532 0.030 2 277 31 31 ASN HD22 H 6.911 0.030 2 278 31 31 ASN C C 173.525 0.300 1 279 31 31 ASN CA C 53.595 0.300 1 280 31 31 ASN CB C 41.052 0.300 1 281 31 31 ASN N N 117.198 0.300 1 282 31 31 ASN ND2 N 113.807 0.300 1 283 32 32 CYS H H 8.017 0.030 1 284 32 32 CYS HA H 4.337 0.030 1 285 32 32 CYS HB2 H 2.619 0.030 2 286 32 32 CYS HB3 H 1.743 0.030 2 287 32 32 CYS C C 174.655 0.300 1 288 32 32 CYS CA C 58.892 0.300 1 289 32 32 CYS CB C 27.248 0.300 1 290 32 32 CYS N N 127.385 0.300 1 291 33 33 ARG H H 8.108 0.030 1 292 33 33 ARG HA H 4.106 0.030 1 293 33 33 ARG HB2 H 1.816 0.030 1 294 33 33 ARG HB3 H 1.816 0.030 1 295 33 33 ARG HD2 H 3.226 0.030 1 296 33 33 ARG HD3 H 3.226 0.030 1 297 33 33 ARG HG2 H 1.653 0.030 1 298 33 33 ARG HG3 H 1.653 0.030 1 299 33 33 ARG C C 177.385 0.300 1 300 33 33 ARG CA C 58.687 0.300 1 301 33 33 ARG CB C 29.847 0.300 1 302 33 33 ARG CD C 43.012 0.300 1 303 33 33 ARG CG C 26.912 0.300 1 304 33 33 ARG N N 123.291 0.300 1 305 34 34 ASN H H 8.612 0.030 1 306 34 34 ASN HA H 4.882 0.030 1 307 34 34 ASN HB2 H 3.012 0.030 2 308 34 34 ASN HB3 H 2.698 0.030 2 309 34 34 ASN HD21 H 7.538 0.030 2 310 34 34 ASN HD22 H 6.870 0.030 2 311 34 34 ASN C C 174.152 0.300 1 312 34 34 ASN CA C 52.704 0.300 1 313 34 34 ASN CB C 38.158 0.300 1 314 34 34 ASN N N 114.788 0.300 1 315 34 34 ASN ND2 N 112.466 0.300 1 316 35 35 CYS H H 7.697 0.030 1 317 35 35 CYS HA H 4.089 0.030 1 318 35 35 CYS HB2 H 3.570 0.030 2 319 35 35 CYS HB3 H 2.899 0.030 2 320 35 35 CYS C C 174.628 0.300 1 321 35 35 CYS CA C 61.363 0.300 1 322 35 35 CYS CB C 26.207 0.300 1 323 35 35 CYS N N 121.434 0.300 1 324 36 36 GLU H H 8.975 0.030 1 325 36 36 GLU HA H 4.717 0.030 1 326 36 36 GLU HB2 H 2.361 0.030 2 327 36 36 GLU HB3 H 2.019 0.030 2 328 36 36 GLU HG2 H 2.362 0.030 1 329 36 36 GLU HG3 H 2.362 0.030 1 330 36 36 GLU C C 174.532 0.300 1 331 36 36 GLU CA C 56.570 0.300 1 332 36 36 GLU CB C 33.809 0.300 1 333 36 36 GLU CG C 36.731 0.300 1 334 36 36 GLU N N 130.314 0.300 1 335 37 37 CYS H H 7.953 0.030 1 336 37 37 CYS HA H 4.479 0.030 1 337 37 37 CYS HB2 H 1.772 0.030 2 338 37 37 CYS HB3 H 1.016 0.030 2 339 37 37 CYS C C 171.757 0.300 1 340 37 37 CYS CA C 56.853 0.300 1 341 37 37 CYS CB C 28.158 0.300 1 342 37 37 CYS N N 119.287 0.300 1 343 38 38 LEU H H 8.533 0.030 1 344 38 38 LEU HA H 5.062 0.030 1 345 38 38 LEU HB2 H 1.223 0.030 2 346 38 38 LEU HB3 H 1.008 0.030 2 347 38 38 LEU HD1 H 0.217 0.030 1 348 38 38 LEU HD2 H 0.469 0.030 1 349 38 38 LEU HG H 1.194 0.030 1 350 38 38 LEU C C 176.040 0.300 1 351 38 38 LEU CA C 52.639 0.300 1 352 38 38 LEU CB C 44.263 0.300 1 353 38 38 LEU CD1 C 26.428 0.300 2 354 38 38 LEU CD2 C 23.735 0.300 2 355 38 38 LEU CG C 27.226 0.300 1 356 38 38 LEU N N 130.691 0.300 1 357 39 39 SER H H 8.723 0.030 1 358 39 39 SER HA H 5.902 0.030 1 359 39 39 SER HB2 H 3.722 0.030 2 360 39 39 SER HB3 H 3.538 0.030 2 361 39 39 SER C C 175.053 0.300 1 362 39 39 SER CA C 56.582 0.300 1 363 39 39 SER CB C 64.079 0.300 1 364 39 39 SER N N 117.910 0.300 1 365 40 40 CYS H H 9.183 0.030 1 366 40 40 CYS HA H 4.598 0.030 1 367 40 40 CYS HB2 H 3.498 0.030 2 368 40 40 CYS HB3 H 2.895 0.030 2 369 40 40 CYS C C 178.908 0.300 1 370 40 40 CYS CA C 60.233 0.300 1 371 40 40 CYS CB C 31.435 0.300 1 372 40 40 CYS N N 130.036 0.300 1 373 41 41 ILE H H 8.518 0.030 1 374 41 41 ILE HA H 3.958 0.030 1 375 41 41 ILE HB H 1.793 0.030 1 376 41 41 ILE HD1 H 0.674 0.030 1 377 41 41 ILE HG12 H 1.436 0.030 2 378 41 41 ILE HG13 H 1.214 0.030 2 379 41 41 ILE HG2 H 0.860 0.030 1 380 41 41 ILE C C 176.276 0.300 1 381 41 41 ILE CA C 64.577 0.300 1 382 41 41 ILE CB C 38.146 0.300 1 383 41 41 ILE CD1 C 13.956 0.300 1 384 41 41 ILE CG1 C 27.928 0.300 1 385 41 41 ILE CG2 C 17.394 0.300 1 386 41 41 ILE N N 128.976 0.300 1 387 42 42 ASP H H 8.898 0.030 1 388 42 42 ASP HA H 4.815 0.030 1 389 42 42 ASP HB2 H 2.801 0.030 2 390 42 42 ASP HB3 H 2.680 0.030 2 391 42 42 ASP C C 176.955 0.300 1 392 42 42 ASP CA C 57.227 0.300 1 393 42 42 ASP CB C 43.795 0.300 1 394 42 42 ASP N N 123.614 0.300 1 395 43 43 CYS H H 8.250 0.030 1 396 43 43 CYS HA H 5.011 0.030 1 397 43 43 CYS HB2 H 3.305 0.030 2 398 43 43 CYS HB3 H 3.095 0.030 2 399 43 43 CYS C C 177.279 0.300 1 400 43 43 CYS CA C 58.653 0.300 1 401 43 43 CYS CB C 32.110 0.300 1 402 43 43 CYS N N 117.084 0.300 1 403 44 44 GLY H H 7.844 0.030 1 404 44 44 GLY HA2 H 4.065 0.030 2 405 44 44 GLY HA3 H 3.904 0.030 2 406 44 44 GLY C C 173.648 0.300 1 407 44 44 GLY CA C 46.281 0.300 1 408 44 44 GLY N N 113.014 0.300 1 409 45 45 LYS H H 8.073 0.030 1 410 45 45 LYS HA H 4.060 0.030 1 411 45 45 LYS HB2 H 1.725 0.030 2 412 45 45 LYS HB3 H 1.392 0.030 2 413 45 45 LYS HD2 H 1.596 0.030 1 414 45 45 LYS HD3 H 1.596 0.030 1 415 45 45 LYS HE2 H 2.967 0.030 1 416 45 45 LYS HE3 H 2.967 0.030 1 417 45 45 LYS HG2 H 1.390 0.030 2 418 45 45 LYS HG3 H 1.009 0.030 2 419 45 45 LYS C C 174.092 0.300 1 420 45 45 LYS CA C 57.428 0.300 1 421 45 45 LYS CB C 33.823 0.300 1 422 45 45 LYS CD C 29.183 0.300 1 423 45 45 LYS CE C 42.483 0.300 1 424 45 45 LYS CG C 25.907 0.300 1 425 45 45 LYS N N 122.350 0.300 1 426 46 46 ASP H H 7.888 0.030 1 427 46 46 ASP HA H 4.689 0.030 1 428 46 46 ASP HB2 H 2.388 0.030 2 429 46 46 ASP HB3 H 2.069 0.030 2 430 46 46 ASP C C 175.195 0.300 1 431 46 46 ASP CA C 53.691 0.300 1 432 46 46 ASP CB C 42.927 0.300 1 433 46 46 ASP N N 120.298 0.300 1 434 47 47 PHE H H 8.742 0.030 1 435 47 47 PHE HA H 4.729 0.030 1 436 47 47 PHE HB2 H 2.898 0.030 2 437 47 47 PHE HB3 H 2.595 0.030 2 438 47 47 PHE HD1 H 7.216 0.030 1 439 47 47 PHE HD2 H 7.216 0.030 1 440 47 47 PHE HE1 H 6.937 0.030 1 441 47 47 PHE HE2 H 6.937 0.030 1 442 47 47 PHE HZ H 6.229 0.030 1 443 47 47 PHE C C 175.053 0.300 1 444 47 47 PHE CA C 57.497 0.300 1 445 47 47 PHE CB C 40.815 0.300 1 446 47 47 PHE CD1 C 132.505 0.300 1 447 47 47 PHE CD2 C 132.505 0.300 1 448 47 47 PHE CE1 C 130.728 0.300 1 449 47 47 PHE CE2 C 130.728 0.300 1 450 47 47 PHE CZ C 128.353 0.300 1 451 47 47 PHE N N 119.267 0.300 1 452 48 48 TRP H H 9.915 0.030 1 453 48 48 TRP HA H 4.948 0.030 1 454 48 48 TRP HB2 H 3.451 0.030 2 455 48 48 TRP HB3 H 3.175 0.030 2 456 48 48 TRP HD1 H 7.208 0.030 1 457 48 48 TRP HE1 H 10.449 0.030 1 458 48 48 TRP HE3 H 7.714 0.030 1 459 48 48 TRP HH2 H 7.208 0.030 1 460 48 48 TRP HZ2 H 7.476 0.030 1 461 48 48 TRP HZ3 H 7.078 0.030 1 462 48 48 TRP C C 177.610 0.300 1 463 48 48 TRP CA C 57.437 0.300 1 464 48 48 TRP CB C 30.048 0.300 1 465 48 48 TRP CD1 C 126.958 0.300 1 466 48 48 TRP CE3 C 121.131 0.300 1 467 48 48 TRP CH2 C 124.540 0.300 1 468 48 48 TRP CZ2 C 114.855 0.300 1 469 48 48 TRP CZ3 C 121.962 0.300 1 470 48 48 TRP N N 129.854 0.300 1 471 48 48 TRP NE1 N 130.636 0.300 1 472 49 49 GLY H H 8.709 0.030 1 473 49 49 GLY HA2 H 4.114 0.030 2 474 49 49 GLY HA3 H 3.987 0.030 2 475 49 49 GLY C C 176.109 0.300 1 476 49 49 GLY CA C 47.282 0.300 1 477 49 49 GLY N N 111.102 0.300 1 478 50 50 ASP H H 9.029 0.030 1 479 50 50 ASP HA H 4.940 0.030 1 480 50 50 ASP HB2 H 2.804 0.030 2 481 50 50 ASP HB3 H 2.686 0.030 2 482 50 50 ASP C C 177.761 0.300 1 483 50 50 ASP CA C 54.616 0.300 1 484 50 50 ASP CB C 40.577 0.300 1 485 50 50 ASP N N 126.847 0.300 1 486 51 51 ASP H H 8.533 0.030 1 487 51 51 ASP HA H 4.518 0.030 1 488 51 51 ASP HB2 H 3.297 0.030 2 489 51 51 ASP HB3 H 3.069 0.030 2 490 51 51 ASP C C 178.122 0.300 1 491 51 51 ASP CA C 57.341 0.300 1 492 51 51 ASP CB C 40.171 0.300 1 493 51 51 ASP N N 121.794 0.300 1 494 52 52 TYR H H 7.879 0.030 1 495 52 52 TYR HA H 3.410 0.030 1 496 52 52 TYR HB2 H 2.448 0.030 2 497 52 52 TYR HB3 H 2.005 0.030 2 498 52 52 TYR HE1 H 6.780 0.030 1 499 52 52 TYR HE2 H 6.780 0.030 1 500 52 52 TYR C C 176.199 0.300 1 501 52 52 TYR CA C 59.779 0.300 1 502 52 52 TYR CB C 34.971 0.300 1 503 52 52 TYR CE1 C 118.464 0.300 1 504 52 52 TYR CE2 C 118.464 0.300 1 505 52 52 TYR N N 118.005 0.300 1 506 53 53 LYS H H 6.423 0.030 1 507 53 53 LYS HA H 3.150 0.030 1 508 53 53 LYS HB2 H 1.601 0.030 2 509 53 53 LYS HB3 H 1.431 0.030 2 510 53 53 LYS HD2 H 1.520 0.030 1 511 53 53 LYS HD3 H 1.520 0.030 1 512 53 53 LYS HE2 H 2.915 0.030 2 513 53 53 LYS HE3 H 2.869 0.030 2 514 53 53 LYS HG2 H 0.836 0.030 2 515 53 53 LYS HG3 H 0.534 0.030 2 516 53 53 LYS C C 178.181 0.300 1 517 53 53 LYS CA C 59.326 0.300 1 518 53 53 LYS CB C 32.709 0.300 1 519 53 53 LYS CD C 29.714 0.300 1 520 53 53 LYS CE C 42.318 0.300 1 521 53 53 LYS CG C 26.333 0.300 1 522 53 53 LYS N N 119.631 0.300 1 523 54 54 SER H H 7.448 0.030 1 524 54 54 SER HA H 4.374 0.030 1 525 54 54 SER HB2 H 4.122 0.030 2 526 54 54 SER HB3 H 4.023 0.030 2 527 54 54 SER C C 174.323 0.300 1 528 54 54 SER CA C 58.692 0.300 1 529 54 54 SER CB C 63.992 0.300 1 530 54 54 SER N N 111.321 0.300 1 531 55 55 HIS H H 7.578 0.030 1 532 55 55 HIS HA H 4.933 0.030 1 533 55 55 HIS HB2 H 3.389 0.030 2 534 55 55 HIS HB3 H 2.031 0.030 2 535 55 55 HIS HD2 H 6.764 0.030 1 536 55 55 HIS HE1 H 8.311 0.030 1 537 55 55 HIS C C 173.323 0.300 1 538 55 55 HIS CA C 55.274 0.300 1 539 55 55 HIS CB C 28.170 0.300 1 540 55 55 HIS CD2 C 126.971 0.300 1 541 55 55 HIS CE1 C 140.546 0.300 1 542 55 55 HIS N N 124.514 0.300 1 543 56 56 VAL H H 7.860 0.030 1 544 56 56 VAL HA H 4.082 0.030 1 545 56 56 VAL HB H 2.153 0.030 1 546 56 56 VAL HG1 H 0.908 0.030 1 547 56 56 VAL HG2 H 0.880 0.030 1 548 56 56 VAL C C 175.044 0.300 1 549 56 56 VAL CA C 62.011 0.300 1 550 56 56 VAL CB C 33.039 0.300 1 551 56 56 VAL CG1 C 21.655 0.300 2 552 56 56 VAL CG2 C 19.437 0.300 2 553 56 56 VAL N N 121.026 0.300 1 554 57 57 LYS H H 7.744 0.030 1 555 57 57 LYS HA H 4.168 0.030 1 556 57 57 LYS HB2 H 1.752 0.030 2 557 57 57 LYS HB3 H 1.633 0.030 2 558 57 57 LYS HD2 H 1.603 0.030 1 559 57 57 LYS HD3 H 1.603 0.030 1 560 57 57 LYS HE2 H 2.956 0.030 1 561 57 57 LYS HE3 H 2.956 0.030 1 562 57 57 LYS HG2 H 1.328 0.030 1 563 57 57 LYS HG3 H 1.328 0.030 1 564 57 57 LYS C C 174.883 0.300 1 565 57 57 LYS CA C 55.947 0.300 1 566 57 57 LYS CB C 33.881 0.300 1 567 57 57 LYS CD C 29.302 0.300 1 568 57 57 LYS CE C 42.318 0.300 1 569 57 57 LYS CG C 24.396 0.300 1 570 57 57 LYS N N 119.839 0.300 1 571 58 58 CYS H H 8.351 0.030 1 572 58 58 CYS HA H 4.307 0.030 1 573 58 58 CYS HB2 H 2.854 0.030 2 574 58 58 CYS HB3 H 2.626 0.030 2 575 58 58 CYS C C 175.410 0.300 1 576 58 58 CYS CA C 59.829 0.300 1 577 58 58 CYS CB C 29.659 0.300 1 578 58 58 CYS N N 126.303 0.300 1 579 59 59 ILE H H 8.088 0.030 1 580 59 59 ILE HA H 4.353 0.030 1 581 59 59 ILE HB H 1.934 0.030 1 582 59 59 ILE HD1 H 0.882 0.030 1 583 59 59 ILE HG12 H 1.486 0.030 2 584 59 59 ILE HG13 H 1.220 0.030 2 585 59 59 ILE HG2 H 0.957 0.030 1 586 59 59 ILE C C 175.958 0.300 1 587 59 59 ILE CA C 60.971 0.300 1 588 59 59 ILE CB C 39.476 0.300 1 589 59 59 ILE CD1 C 13.316 0.300 1 590 59 59 ILE CG1 C 27.186 0.300 1 591 59 59 ILE CG2 C 17.765 0.300 1 592 59 59 ILE N N 123.438 0.300 1 593 60 60 SER H H 8.444 0.030 1 594 60 60 SER HA H 4.516 0.030 1 595 60 60 SER HB2 H 3.875 0.030 1 596 60 60 SER HB3 H 3.875 0.030 1 597 60 60 SER C C 174.556 0.300 1 598 60 60 SER CA C 58.178 0.300 1 599 60 60 SER CB C 64.039 0.300 1 600 60 60 SER N N 119.867 0.300 1 601 61 61 GLU H H 8.470 0.030 1 602 61 61 GLU HA H 4.302 0.030 1 603 61 61 GLU HB2 H 2.106 0.030 2 604 61 61 GLU HB3 H 2.029 0.030 2 605 61 61 GLU HG2 H 2.323 0.030 2 606 61 61 GLU HG3 H 2.289 0.030 2 607 61 61 GLU C C 177.179 0.300 1 608 61 61 GLU CA C 57.177 0.300 1 609 61 61 GLU CB C 30.328 0.300 1 610 61 61 GLU CG C 36.362 0.300 1 611 61 61 GLU N N 123.230 0.300 1 612 62 62 GLY H H 8.485 0.030 1 613 62 62 GLY HA2 H 3.946 0.030 1 614 62 62 GLY HA3 H 3.946 0.030 1 615 62 62 GLY C C 174.421 0.300 1 616 62 62 GLY CA C 45.502 0.300 1 617 62 62 GLY N N 109.730 0.300 1 618 63 63 GLN H H 8.176 0.030 1 619 63 63 GLN HA H 4.275 0.030 1 620 63 63 GLN HB2 H 2.042 0.030 2 621 63 63 GLN HB3 H 1.974 0.030 2 622 63 63 GLN HG2 H 2.315 0.030 1 623 63 63 GLN HG3 H 2.315 0.030 1 624 63 63 GLN C C 176.195 0.300 1 625 63 63 GLN CA C 56.088 0.300 1 626 63 63 GLN CB C 29.392 0.300 1 627 63 63 GLN CG C 33.901 0.300 1 628 63 63 GLN N N 119.772 0.300 1 629 64 64 LYS H H 8.284 0.030 1 630 64 64 LYS HA H 4.228 0.030 1 631 64 64 LYS HB2 H 1.656 0.030 1 632 64 64 LYS HB3 H 1.656 0.030 1 633 64 64 LYS HD2 H 1.608 0.030 1 634 64 64 LYS HD3 H 1.608 0.030 1 635 64 64 LYS HE2 H 2.930 0.030 1 636 64 64 LYS HE3 H 2.930 0.030 1 637 64 64 LYS HG2 H 1.303 0.030 2 638 64 64 LYS HG3 H 1.207 0.030 2 639 64 64 LYS C C 176.522 0.300 1 640 64 64 LYS CA C 56.674 0.300 1 641 64 64 LYS CB C 33.022 0.300 1 642 64 64 LYS CD C 29.190 0.300 1 643 64 64 LYS CE C 42.235 0.300 1 644 64 64 LYS CG C 24.731 0.300 1 645 64 64 LYS N N 121.842 0.300 1 646 65 65 TYR H H 8.278 0.030 1 647 65 65 TYR HA H 4.557 0.030 1 648 65 65 TYR HB2 H 3.086 0.030 2 649 65 65 TYR HB3 H 2.927 0.030 2 650 65 65 TYR HD1 H 7.115 0.030 1 651 65 65 TYR HD2 H 7.115 0.030 1 652 65 65 TYR HE1 H 6.827 0.030 1 653 65 65 TYR HE2 H 6.827 0.030 1 654 65 65 TYR CA C 57.889 0.300 1 655 65 65 TYR CB C 38.607 0.300 1 656 65 65 TYR CD1 C 133.266 0.300 1 657 65 65 TYR CD2 C 133.266 0.300 1 658 65 65 TYR CE1 C 118.256 0.300 1 659 65 65 TYR CE2 C 118.256 0.300 1 660 65 65 TYR N N 120.602 0.300 1 661 66 66 GLY H H 7.943 0.030 1 662 66 66 GLY HA2 H 3.974 0.030 1 663 66 66 GLY HA3 H 3.974 0.030 1 664 66 66 GLY CA C 45.254 0.300 1 665 66 66 GLY N N 108.287 0.300 1 666 68 68 LYS HA H 4.326 0.030 1 667 68 68 LYS HB2 H 1.834 0.030 2 668 68 68 LYS HB3 H 1.757 0.030 2 669 68 68 LYS HD2 H 1.700 0.030 1 670 68 68 LYS HD3 H 1.700 0.030 1 671 68 68 LYS HE2 H 2.989 0.030 1 672 68 68 LYS HE3 H 2.989 0.030 1 673 68 68 LYS HG2 H 1.468 0.030 2 674 68 68 LYS HG3 H 1.422 0.030 2 675 68 68 LYS C C 177.276 0.300 1 676 68 68 LYS CA C 56.604 0.300 1 677 68 68 LYS CB C 32.990 0.300 1 678 68 68 LYS CD C 29.162 0.300 1 679 68 68 LYS CE C 42.153 0.300 1 680 68 68 LYS CG C 24.796 0.300 1 681 69 69 GLY H H 8.512 0.030 1 682 69 69 GLY HA2 H 3.902 0.030 1 683 69 69 GLY HA3 H 3.902 0.030 1 684 69 69 GLY C C 173.925 0.300 1 685 69 69 GLY CA C 45.306 0.300 1 686 69 69 GLY N N 110.033 0.300 1 687 70 70 TYR H H 7.998 0.030 1 688 70 70 TYR HA H 4.508 0.030 1 689 70 70 TYR HB2 H 3.011 0.030 2 690 70 70 TYR HB3 H 2.934 0.030 2 691 70 70 TYR HD1 H 7.073 0.030 1 692 70 70 TYR HD2 H 7.073 0.030 1 693 70 70 TYR HE1 H 6.828 0.030 1 694 70 70 TYR HE2 H 6.828 0.030 1 695 70 70 TYR C C 175.697 0.300 1 696 70 70 TYR CA C 58.083 0.300 1 697 70 70 TYR CB C 38.820 0.300 1 698 70 70 TYR CD1 C 133.261 0.300 1 699 70 70 TYR CD2 C 133.261 0.300 1 700 70 70 TYR CE1 C 118.238 0.300 1 701 70 70 TYR CE2 C 118.238 0.300 1 702 70 70 TYR N N 120.032 0.300 1 703 71 71 GLU H H 8.288 0.030 1 704 71 71 GLU HA H 4.215 0.030 1 705 71 71 GLU HB2 H 1.984 0.030 2 706 71 71 GLU HB3 H 1.879 0.030 2 707 71 71 GLU HG2 H 2.208 0.030 1 708 71 71 GLU HG3 H 2.208 0.030 1 709 71 71 GLU C C 175.718 0.300 1 710 71 71 GLU CA C 56.364 0.300 1 711 71 71 GLU CB C 30.520 0.300 1 712 71 71 GLU CG C 36.316 0.300 1 713 71 71 GLU N N 123.324 0.300 1 714 72 72 ALA H H 8.223 0.030 1 715 72 72 ALA HA H 4.268 0.030 1 716 72 72 ALA HB H 1.403 0.030 1 717 72 72 ALA C C 177.761 0.300 1 718 72 72 ALA CA C 52.588 0.300 1 719 72 72 ALA CB C 19.161 0.300 1 720 72 72 ALA N N 125.537 0.300 1 721 73 73 LYS H H 8.301 0.030 1 722 73 73 LYS HA H 4.364 0.030 1 723 73 73 LYS HB2 H 1.880 0.030 2 724 73 73 LYS HB3 H 1.768 0.030 2 725 73 73 LYS HD2 H 1.675 0.030 1 726 73 73 LYS HD3 H 1.675 0.030 1 727 73 73 LYS HE2 H 2.989 0.030 1 728 73 73 LYS HE3 H 2.989 0.030 1 729 73 73 LYS HG2 H 1.438 0.030 1 730 73 73 LYS HG3 H 1.438 0.030 1 731 73 73 LYS C C 176.612 0.300 1 732 73 73 LYS CA C 56.276 0.300 1 733 73 73 LYS CB C 33.090 0.300 1 734 73 73 LYS CD C 29.055 0.300 1 735 73 73 LYS CE C 42.235 0.300 1 736 73 73 LYS CG C 24.607 0.300 1 737 73 73 LYS N N 120.667 0.300 1 738 74 74 SER H H 8.297 0.030 1 739 74 74 SER HA H 4.507 0.030 1 740 74 74 SER HB2 H 3.869 0.030 1 741 74 74 SER HB3 H 3.869 0.030 1 742 74 74 SER C C 174.524 0.300 1 743 74 74 SER CA C 58.219 0.300 1 744 74 74 SER CB C 64.149 0.300 1 745 74 74 SER N N 116.803 0.300 1 746 75 75 GLY H H 8.249 0.030 1 747 75 75 GLY HA2 H 4.140 0.030 1 748 75 75 GLY HA3 H 4.140 0.030 1 749 75 75 GLY C C 171.809 0.300 1 750 75 75 GLY CA C 44.739 0.300 1 751 75 75 GLY N N 110.648 0.300 1 752 76 76 PRO HA H 4.474 0.030 1 753 76 76 PRO HB2 H 2.297 0.030 2 754 76 76 PRO HB3 H 1.978 0.030 2 755 76 76 PRO HD2 H 3.623 0.030 1 756 76 76 PRO HD3 H 3.623 0.030 1 757 76 76 PRO HG2 H 2.019 0.030 1 758 76 76 PRO HG3 H 2.019 0.030 1 759 76 76 PRO C C 177.461 0.300 1 760 76 76 PRO CA C 63.297 0.300 1 761 76 76 PRO CB C 32.158 0.300 1 762 76 76 PRO CD C 49.814 0.300 1 763 76 76 PRO CG C 27.160 0.300 1 764 77 77 SER H H 8.534 0.030 1 765 77 77 SER HA H 4.518 0.030 1 766 77 77 SER HB2 H 3.913 0.030 1 767 77 77 SER HB3 H 3.913 0.030 1 768 77 77 SER C C 174.717 0.300 1 769 77 77 SER CA C 58.420 0.300 1 770 77 77 SER CB C 63.898 0.300 1 771 77 77 SER N N 116.363 0.300 1 772 78 78 SER H H 8.327 0.030 1 773 78 78 SER HA H 4.507 0.030 1 774 78 78 SER HB2 H 3.902 0.030 1 775 78 78 SER HB3 H 3.902 0.030 1 776 78 78 SER C C 173.991 0.300 1 777 78 78 SER CA C 58.412 0.300 1 778 78 78 SER CB C 64.049 0.300 1 779 78 78 SER N N 117.800 0.300 1 stop_ save_