data_11130 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of two zf-C2H2 domains from human Zinc finger protein 512 ; _BMRB_accession_number 11130 _BMRB_flat_file_name bmr11130.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 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" 530 "13C chemical shifts" 386 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of two zf-C2H2 domains from human Zinc finger protein 512' _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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 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 'Zinc finger protein 512' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2 domains' $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-C2H2 domains' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GSSGSSGRIRKEPPVYAAGS LEEQWYLEIVDKGSVSCPTC QAVGRKTIEGLKKHMENCKQ EMFTCHHCGKQLRSLAGMKY HVMANHNSLPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 ILE 10 ARG 11 LYS 12 GLU 13 PRO 14 PRO 15 VAL 16 TYR 17 ALA 18 ALA 19 GLY 20 SER 21 LEU 22 GLU 23 GLU 24 GLN 25 TRP 26 TYR 27 LEU 28 GLU 29 ILE 30 VAL 31 ASP 32 LYS 33 GLY 34 SER 35 VAL 36 SER 37 CYS 38 PRO 39 THR 40 CYS 41 GLN 42 ALA 43 VAL 44 GLY 45 ARG 46 LYS 47 THR 48 ILE 49 GLU 50 GLY 51 LEU 52 LYS 53 LYS 54 HIS 55 MET 56 GLU 57 ASN 58 CYS 59 LYS 60 GLN 61 GLU 62 MET 63 PHE 64 THR 65 CYS 66 HIS 67 HIS 68 CYS 69 GLY 70 LYS 71 GLN 72 LEU 73 ARG 74 SER 75 LEU 76 ALA 77 GLY 78 MET 79 LYS 80 TYR 81 HIS 82 VAL 83 MET 84 ALA 85 ASN 86 HIS 87 ASN 88 SER 89 LEU 90 PRO 91 SER 92 GLY 93 PRO 94 SER 95 SER 96 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-11 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 2CTD "Solution Structure Of Two Zf-C2h2 Domains From Human Zinc Finger Protein 512" 100.00 96 100.00 100.00 1.24e-63 GB EHH21997 "hypothetical protein EGK_05175 [Macaca mulatta]" 86.46 569 100.00 100.00 2.09e-51 GB EHH55467 "hypothetical protein EGM_04679 [Macaca fascicularis]" 86.46 569 100.00 100.00 2.09e-51 REF XP_007191412 "PREDICTED: zinc finger protein 512 isoform X4 [Balaenoptera acutorostrata scammoni]" 86.46 511 98.80 98.80 2.48e-51 REF XP_008831438 "PREDICTED: zinc finger protein 512 [Nannospalax galili]" 86.46 489 100.00 100.00 1.32e-51 REF XP_010989556 "PREDICTED: zinc finger protein 512 isoform X2 [Camelus dromedarius]" 86.46 509 98.80 98.80 2.54e-51 REF XP_014418967 "PREDICTED: zinc finger protein 512 isoform X3 [Camelus ferus]" 86.46 509 98.80 98.80 2.54e-51 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_name $entity_1 'cell free synthesis' . Escherichia coli . P041018-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.06mM zf-C2H2 domains {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.25mM {ZnCl2;} 1mM {IDA;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.06 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' ZnCl2 0.25 mM 'natural abundance' IDA 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 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.9295 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 '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' 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-C2H2 domains' _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 8 8 ARG HA H 4.240 0.030 1 2 8 8 ARG HB2 H 1.642 0.030 2 3 8 8 ARG HB3 H 1.723 0.030 2 4 8 8 ARG HD2 H 3.089 0.030 1 5 8 8 ARG HD3 H 3.089 0.030 1 6 8 8 ARG HG2 H 1.471 0.030 2 7 8 8 ARG HG3 H 1.520 0.030 2 8 8 8 ARG C C 173.896 0.300 1 9 8 8 ARG CA C 53.594 0.300 1 10 8 8 ARG CB C 28.407 0.300 1 11 8 8 ARG CD C 41.050 0.300 1 12 8 8 ARG CG C 24.803 0.300 1 13 9 9 ILE H H 8.096 0.030 1 14 9 9 ILE HA H 4.038 0.030 1 15 9 9 ILE HB H 1.740 0.030 1 16 9 9 ILE HD1 H 0.750 0.030 1 17 9 9 ILE HG12 H 1.373 0.030 2 18 9 9 ILE HG13 H 1.090 0.030 2 19 9 9 ILE HG2 H 0.782 0.030 1 20 9 9 ILE C C 173.740 0.300 1 21 9 9 ILE CA C 58.681 0.300 1 22 9 9 ILE CB C 36.234 0.300 1 23 9 9 ILE CD1 C 10.331 0.300 1 24 9 9 ILE CG1 C 25.052 0.300 1 25 9 9 ILE CG2 C 15.076 0.300 1 26 9 9 ILE N N 122.172 0.300 1 27 10 10 ARG H H 8.334 0.030 1 28 10 10 ARG HA H 4.249 0.030 1 29 10 10 ARG HB2 H 1.644 0.030 2 30 10 10 ARG HB3 H 1.726 0.030 2 31 10 10 ARG HD2 H 3.089 0.030 1 32 10 10 ARG HD3 H 3.089 0.030 1 33 10 10 ARG HG2 H 1.472 0.030 2 34 10 10 ARG HG3 H 1.520 0.030 2 35 10 10 ARG C C 173.384 0.300 1 36 10 10 ARG CA C 53.546 0.300 1 37 10 10 ARG CB C 28.591 0.300 1 38 10 10 ARG CD C 41.095 0.300 1 39 10 10 ARG CG C 24.781 0.300 1 40 10 10 ARG N N 125.774 0.300 1 41 11 11 LYS H H 8.364 0.030 1 42 11 11 LYS HA H 4.220 0.030 1 43 11 11 LYS HB2 H 1.614 0.030 2 44 11 11 LYS HB3 H 1.699 0.030 2 45 11 11 LYS HD2 H 1.552 0.030 1 46 11 11 LYS HD3 H 1.552 0.030 1 47 11 11 LYS HE2 H 2.873 0.030 2 48 11 11 LYS HG2 H 1.315 0.030 1 49 11 11 LYS HG3 H 1.315 0.030 1 50 11 11 LYS C C 173.690 0.300 1 51 11 11 LYS CA C 53.687 0.300 1 52 11 11 LYS CB C 30.837 0.300 1 53 11 11 LYS CD C 26.594 0.300 1 54 11 11 LYS CE C 39.694 0.300 1 55 11 11 LYS CG C 22.392 0.300 1 56 11 11 LYS N N 123.705 0.300 1 57 12 12 GLU H H 8.365 0.030 1 58 12 12 GLU HA H 4.449 0.030 1 59 12 12 GLU HB2 H 1.922 0.030 2 60 12 12 GLU HB3 H 1.742 0.030 2 61 12 12 GLU HG2 H 2.175 0.030 1 62 12 12 GLU HG3 H 2.175 0.030 1 63 12 12 GLU C C 171.598 0.300 1 64 12 12 GLU CA C 52.099 0.300 1 65 12 12 GLU CB C 27.134 0.300 1 66 12 12 GLU CG C 33.583 0.300 1 67 12 12 GLU N N 123.668 0.300 1 68 13 13 PRO HA H 4.535 0.030 1 69 13 13 PRO HB2 H 1.743 0.030 2 70 13 13 PRO HB3 H 2.219 0.030 2 71 13 13 PRO HD2 H 3.701 0.030 2 72 13 13 PRO HD3 H 3.576 0.030 2 73 13 13 PRO HG2 H 1.912 0.030 1 74 13 13 PRO HG3 H 1.912 0.030 1 75 13 13 PRO CA C 59.098 0.300 1 76 13 13 PRO CB C 28.408 0.300 1 77 13 13 PRO CD C 48.186 0.300 1 78 13 13 PRO CG C 25.043 0.300 1 79 14 14 PRO HA H 4.182 0.030 1 80 14 14 PRO HB2 H 1.940 0.030 2 81 14 14 PRO HB3 H 1.399 0.030 2 82 14 14 PRO HD2 H 3.404 0.030 2 83 14 14 PRO HD3 H 3.602 0.030 2 84 14 14 PRO HG2 H 1.704 0.030 2 85 14 14 PRO HG3 H 1.810 0.030 2 86 14 14 PRO C C 173.579 0.300 1 87 14 14 PRO CA C 60.146 0.300 1 88 14 14 PRO CB C 29.535 0.300 1 89 14 14 PRO CD C 47.933 0.300 1 90 14 14 PRO CG C 24.910 0.300 1 91 15 15 VAL H H 7.806 0.030 1 92 15 15 VAL HA H 3.693 0.030 1 93 15 15 VAL HB H 1.630 0.030 1 94 15 15 VAL HG1 H 0.654 0.030 1 95 15 15 VAL HG2 H 0.550 0.030 1 96 15 15 VAL C C 173.194 0.300 1 97 15 15 VAL CA C 59.909 0.300 1 98 15 15 VAL CB C 30.356 0.300 1 99 15 15 VAL CG1 C 18.308 0.300 2 100 15 15 VAL CG2 C 18.598 0.300 2 101 15 15 VAL N N 119.422 0.300 1 102 16 16 TYR H H 7.752 0.030 1 103 16 16 TYR HA H 4.542 0.030 1 104 16 16 TYR HB2 H 2.852 0.030 2 105 16 16 TYR HB3 H 2.419 0.030 2 106 16 16 TYR HD1 H 6.773 0.030 1 107 16 16 TYR HD2 H 6.773 0.030 1 108 16 16 TYR HE1 H 6.412 0.030 1 109 16 16 TYR HE2 H 6.412 0.030 1 110 16 16 TYR C C 172.745 0.300 1 111 16 16 TYR CA C 54.040 0.300 1 112 16 16 TYR CB C 37.217 0.300 1 113 16 16 TYR CD1 C 130.676 0.300 1 114 16 16 TYR CD2 C 130.676 0.300 1 115 16 16 TYR CE1 C 115.367 0.300 1 116 16 16 TYR CE2 C 115.367 0.300 1 117 16 16 TYR N N 122.567 0.300 1 118 17 17 ALA H H 8.580 0.030 1 119 17 17 ALA HA H 4.101 0.030 1 120 17 17 ALA HB H 1.274 0.030 1 121 17 17 ALA C C 175.995 0.300 1 122 17 17 ALA CA C 49.644 0.300 1 123 17 17 ALA CB C 16.647 0.300 1 124 17 17 ALA N N 124.236 0.300 1 125 18 18 ALA H H 8.577 0.030 1 126 18 18 ALA HA H 4.227 0.030 1 127 18 18 ALA HB H 1.296 0.030 1 128 18 18 ALA C C 176.994 0.300 1 129 18 18 ALA CA C 50.902 0.300 1 130 18 18 ALA CB C 15.949 0.300 1 131 18 18 ALA N N 126.553 0.300 1 132 19 19 GLY H H 9.087 0.030 1 133 19 19 GLY HA2 H 4.001 0.030 2 134 19 19 GLY HA3 H 3.673 0.030 2 135 19 19 GLY C C 171.929 0.300 1 136 19 19 GLY CA C 43.234 0.300 1 137 19 19 GLY N N 111.980 0.300 1 138 20 20 SER H H 7.730 0.030 1 139 20 20 SER HA H 4.241 0.030 1 140 20 20 SER HB2 H 3.813 0.030 2 141 20 20 SER HB3 H 4.201 0.030 2 142 20 20 SER C C 173.123 0.300 1 143 20 20 SER CA C 55.645 0.300 1 144 20 20 SER CB C 63.536 0.300 1 145 20 20 SER N N 114.399 0.300 1 146 21 21 LEU H H 8.495 0.030 1 147 21 21 LEU HA H 3.457 0.030 1 148 21 21 LEU HB2 H 0.906 0.030 2 149 21 21 LEU HB3 H 0.217 0.030 2 150 21 21 LEU HD1 H 0.653 0.030 1 151 21 21 LEU HD2 H 0.539 0.030 1 152 21 21 LEU HG H 0.859 0.030 1 153 21 21 LEU C C 175.139 0.300 1 154 21 21 LEU CA C 54.996 0.300 1 155 21 21 LEU CB C 38.346 0.300 1 156 21 21 LEU CD1 C 22.281 0.300 2 157 21 21 LEU CD2 C 21.286 0.300 2 158 21 21 LEU CG C 24.125 0.300 1 159 21 21 LEU N N 123.363 0.300 1 160 22 22 GLU H H 8.456 0.030 1 161 22 22 GLU HA H 3.391 0.030 1 162 22 22 GLU HB2 H 1.672 0.030 2 163 22 22 GLU HB3 H 1.116 0.030 2 164 22 22 GLU HG2 H 1.943 0.030 2 165 22 22 GLU HG3 H 2.313 0.030 2 166 22 22 GLU C C 175.380 0.300 1 167 22 22 GLU CA C 58.879 0.300 1 168 22 22 GLU CB C 25.827 0.300 1 169 22 22 GLU CG C 35.634 0.300 1 170 22 22 GLU N N 114.907 0.300 1 171 23 23 GLU H H 7.469 0.030 1 172 23 23 GLU HA H 3.653 0.030 1 173 23 23 GLU HB2 H 2.109 0.030 2 174 23 23 GLU HB3 H 1.810 0.030 2 175 23 23 GLU HG2 H 2.137 0.030 2 176 23 23 GLU HG3 H 2.071 0.030 2 177 23 23 GLU C C 175.358 0.300 1 178 23 23 GLU CA C 57.371 0.300 1 179 23 23 GLU CB C 27.335 0.300 1 180 23 23 GLU CG C 34.532 0.300 1 181 23 23 GLU N N 117.534 0.300 1 182 24 24 GLN H H 7.292 0.030 1 183 24 24 GLN HA H 3.863 0.030 1 184 24 24 GLN HB2 H 2.048 0.030 1 185 24 24 GLN HB3 H 2.048 0.030 1 186 24 24 GLN HE21 H 6.716 0.030 2 187 24 24 GLN HE22 H 7.298 0.030 2 188 24 24 GLN HG2 H 2.346 0.030 2 189 24 24 GLN HG3 H 2.273 0.030 2 190 24 24 GLN C C 177.479 0.300 1 191 24 24 GLN CA C 56.635 0.300 1 192 24 24 GLN CB C 25.658 0.300 1 193 24 24 GLN CG C 31.497 0.300 1 194 24 24 GLN N N 117.735 0.300 1 195 24 24 GLN NE2 N 111.987 0.300 1 196 25 25 TRP H H 8.539 0.030 1 197 25 25 TRP HA H 4.527 0.030 1 198 25 25 TRP HB2 H 3.341 0.030 2 199 25 25 TRP HB3 H 2.754 0.030 2 200 25 25 TRP HD1 H 6.986 0.030 1 201 25 25 TRP HE1 H 9.905 0.030 1 202 25 25 TRP HE3 H 7.142 0.030 1 203 25 25 TRP HH2 H 6.985 0.030 1 204 25 25 TRP HZ2 H 7.193 0.030 1 205 25 25 TRP HZ3 H 6.715 0.030 1 206 25 25 TRP C C 175.570 0.300 1 207 25 25 TRP CA C 55.714 0.300 1 208 25 25 TRP CB C 27.088 0.300 1 209 25 25 TRP CD1 C 122.386 0.300 1 210 25 25 TRP CE3 C 117.191 0.300 1 211 25 25 TRP CH2 C 122.396 0.300 1 212 25 25 TRP CZ2 C 112.161 0.300 1 213 25 25 TRP CZ3 C 118.078 0.300 1 214 25 25 TRP N N 121.446 0.300 1 215 25 25 TRP NE1 N 127.091 0.300 1 216 26 26 TYR H H 8.668 0.030 1 217 26 26 TYR HA H 4.010 0.030 1 218 26 26 TYR HB2 H 3.009 0.030 1 219 26 26 TYR HB3 H 3.009 0.030 1 220 26 26 TYR HD1 H 7.044 0.030 1 221 26 26 TYR HD2 H 7.044 0.030 1 222 26 26 TYR HE1 H 6.758 0.030 1 223 26 26 TYR HE2 H 6.758 0.030 1 224 26 26 TYR C C 174.661 0.300 1 225 26 26 TYR CA C 59.567 0.300 1 226 26 26 TYR CB C 35.996 0.300 1 227 26 26 TYR CD1 C 130.806 0.300 1 228 26 26 TYR CD2 C 130.806 0.300 1 229 26 26 TYR CE1 C 115.943 0.300 1 230 26 26 TYR CE2 C 115.943 0.300 1 231 26 26 TYR N N 120.061 0.300 1 232 27 27 LEU H H 8.131 0.030 1 233 27 27 LEU HA H 3.775 0.030 1 234 27 27 LEU HB2 H 1.842 0.030 2 235 27 27 LEU HB3 H 1.427 0.030 2 236 27 27 LEU HD1 H 0.837 0.030 1 237 27 27 LEU HD2 H 0.842 0.030 1 238 27 27 LEU HG H 1.921 0.030 1 239 27 27 LEU C C 177.350 0.300 1 240 27 27 LEU CA C 55.367 0.300 1 241 27 27 LEU CB C 38.854 0.300 1 242 27 27 LEU CD1 C 23.145 0.300 2 243 27 27 LEU CD2 C 20.211 0.300 2 244 27 27 LEU CG C 24.543 0.300 1 245 27 27 LEU N N 117.663 0.300 1 246 28 28 GLU H H 7.607 0.030 1 247 28 28 GLU HA H 4.076 0.030 1 248 28 28 GLU HB2 H 2.192 0.030 1 249 28 28 GLU HB3 H 2.192 0.030 1 250 28 28 GLU HG2 H 2.501 0.030 2 251 28 28 GLU HG3 H 2.422 0.030 2 252 28 28 GLU C C 175.703 0.300 1 253 28 28 GLU CA C 57.741 0.300 1 254 28 28 GLU CB C 27.258 0.300 1 255 28 28 GLU CG C 34.090 0.300 1 256 28 28 GLU N N 120.456 0.300 1 257 29 29 ILE H H 7.801 0.030 1 258 29 29 ILE HA H 3.022 0.030 1 259 29 29 ILE HB H 1.782 0.030 1 260 29 29 ILE HD1 H 0.598 0.030 1 261 29 29 ILE HG12 H 1.598 0.030 2 262 29 29 ILE HG13 H 0.405 0.030 2 263 29 29 ILE HG2 H 0.607 0.030 1 264 29 29 ILE C C 177.638 0.300 1 265 29 29 ILE CA C 63.627 0.300 1 266 29 29 ILE CB C 35.082 0.300 1 267 29 29 ILE CD1 C 11.531 0.300 1 268 29 29 ILE CG1 C 28.342 0.300 1 269 29 29 ILE CG2 C 14.983 0.300 1 270 29 29 ILE N N 120.171 0.300 1 271 30 30 VAL H H 8.110 0.030 1 272 30 30 VAL HA H 3.338 0.030 1 273 30 30 VAL HB H 1.836 0.030 1 274 30 30 VAL HG1 H 0.542 0.030 1 275 30 30 VAL HG2 H 0.743 0.030 1 276 30 30 VAL C C 175.308 0.300 1 277 30 30 VAL CA C 64.099 0.300 1 278 30 30 VAL CB C 29.426 0.300 1 279 30 30 VAL CG1 C 20.094 0.300 2 280 30 30 VAL CG2 C 18.859 0.300 2 281 30 30 VAL N N 120.547 0.300 1 282 31 31 ASP H H 7.834 0.030 1 283 31 31 ASP HA H 4.404 0.030 1 284 31 31 ASP HB2 H 2.604 0.030 2 285 31 31 ASP HB3 H 2.731 0.030 2 286 31 31 ASP C C 175.510 0.300 1 287 31 31 ASP CA C 54.739 0.300 1 288 31 31 ASP CB C 40.387 0.300 1 289 31 31 ASP N N 117.670 0.300 1 290 32 32 LYS H H 8.767 0.030 1 291 32 32 LYS HA H 4.431 0.030 1 292 32 32 LYS HB2 H 2.074 0.030 2 293 32 32 LYS HB3 H 1.839 0.030 2 294 32 32 LYS HD2 H 1.593 0.030 1 295 32 32 LYS HD3 H 1.593 0.030 1 296 32 32 LYS HE2 H 2.930 0.030 1 297 32 32 LYS HE3 H 2.930 0.030 1 298 32 32 LYS HG2 H 1.476 0.030 2 299 32 32 LYS HG3 H 1.403 0.030 2 300 32 32 LYS C C 176.005 0.300 1 301 32 32 LYS CA C 53.845 0.300 1 302 32 32 LYS CB C 32.237 0.300 1 303 32 32 LYS CD C 26.570 0.300 1 304 32 32 LYS CE C 39.930 0.300 1 305 32 32 LYS CG C 22.831 0.300 1 306 32 32 LYS N N 113.752 0.300 1 307 33 33 GLY H H 8.328 0.030 1 308 33 33 GLY HA2 H 4.263 0.030 2 309 33 33 GLY HA3 H 3.670 0.030 2 310 33 33 GLY C C 170.465 0.300 1 311 33 33 GLY CA C 43.340 0.300 1 312 33 33 GLY N N 110.847 0.300 1 313 34 34 SER H H 7.235 0.030 1 314 34 34 SER HA H 4.360 0.030 1 315 34 34 SER HB2 H 3.547 0.030 2 316 34 34 SER HB3 H 3.278 0.030 2 317 34 34 SER C C 168.324 0.300 1 318 34 34 SER CA C 54.657 0.300 1 319 34 34 SER CB C 62.187 0.300 1 320 34 34 SER N N 110.012 0.300 1 321 35 35 VAL H H 8.633 0.030 1 322 35 35 VAL HA H 4.525 0.030 1 323 35 35 VAL HB H 1.844 0.030 1 324 35 35 VAL HG1 H 0.550 0.030 1 325 35 35 VAL HG2 H 0.715 0.030 1 326 35 35 VAL C C 171.012 0.300 1 327 35 35 VAL CA C 56.231 0.300 1 328 35 35 VAL CB C 32.104 0.300 1 329 35 35 VAL CG1 C 17.709 0.300 2 330 35 35 VAL CG2 C 19.321 0.300 2 331 35 35 VAL N N 118.344 0.300 1 332 36 36 SER H H 8.118 0.030 1 333 36 36 SER HA H 4.630 0.030 1 334 36 36 SER HB2 H 3.480 0.030 2 335 36 36 SER HB3 H 3.428 0.030 2 336 36 36 SER C C 171.243 0.300 1 337 36 36 SER CA C 54.764 0.300 1 338 36 36 SER CB C 61.843 0.300 1 339 36 36 SER N N 121.462 0.300 1 340 37 37 CYS H H 8.164 0.030 1 341 37 37 CYS HA H 4.261 0.030 1 342 37 37 CYS HB2 H 3.111 0.030 2 343 37 37 CYS HB3 H 2.304 0.030 2 344 37 37 CYS C C 173.856 0.300 1 345 37 37 CYS CA C 54.820 0.300 1 346 37 37 CYS CB C 29.479 0.300 1 347 37 37 CYS N N 125.686 0.300 1 348 38 38 PRO HA H 4.433 0.030 1 349 38 38 PRO HB2 H 2.394 0.030 2 350 38 38 PRO HB3 H 2.045 0.030 2 351 38 38 PRO HD2 H 3.740 0.030 2 352 38 38 PRO HD3 H 4.157 0.030 2 353 38 38 PRO HG2 H 2.099 0.030 2 354 38 38 PRO HG3 H 2.171 0.030 2 355 38 38 PRO C C 174.945 0.300 1 356 38 38 PRO CA C 61.768 0.300 1 357 38 38 PRO CB C 30.209 0.300 1 358 38 38 PRO CD C 49.079 0.300 1 359 38 38 PRO CG C 25.076 0.300 1 360 39 39 THR H H 9.228 0.030 1 361 39 39 THR HA H 4.099 0.030 1 362 39 39 THR HB H 4.407 0.030 1 363 39 39 THR HG2 H 1.010 0.030 1 364 39 39 THR C C 172.674 0.300 1 365 39 39 THR CA C 62.881 0.300 1 366 39 39 THR CB C 66.029 0.300 1 367 39 39 THR CG2 C 21.101 0.300 1 368 39 39 THR N N 119.638 0.300 1 369 40 40 CYS H H 8.354 0.030 1 370 40 40 CYS HA H 4.733 0.030 1 371 40 40 CYS HB2 H 2.968 0.030 2 372 40 40 CYS HB3 H 2.616 0.030 2 373 40 40 CYS C C 173.243 0.300 1 374 40 40 CYS CA C 56.172 0.300 1 375 40 40 CYS CB C 29.809 0.300 1 376 40 40 CYS N N 118.934 0.300 1 377 41 41 GLN H H 7.968 0.030 1 378 41 41 GLN HA H 4.067 0.030 1 379 41 41 GLN HB2 H 2.176 0.030 2 380 41 41 GLN HB3 H 2.038 0.030 2 381 41 41 GLN HE21 H 6.694 0.030 2 382 41 41 GLN HE22 H 7.257 0.030 2 383 41 41 GLN HG2 H 2.186 0.030 2 384 41 41 GLN HG3 H 2.043 0.030 2 385 41 41 GLN C C 173.438 0.300 1 386 41 41 GLN CA C 55.216 0.300 1 387 41 41 GLN CB C 24.553 0.300 1 388 41 41 GLN CG C 31.750 0.300 1 389 41 41 GLN N N 118.417 0.300 1 390 41 41 GLN NE2 N 111.531 0.300 1 391 42 42 ALA H H 8.292 0.030 1 392 42 42 ALA HA H 4.473 0.030 1 393 42 42 ALA HB H 1.304 0.030 1 394 42 42 ALA C C 174.421 0.300 1 395 42 42 ALA CA C 50.099 0.300 1 396 42 42 ALA CB C 18.569 0.300 1 397 42 42 ALA N N 120.822 0.300 1 398 43 43 VAL H H 6.886 0.030 1 399 43 43 VAL HA H 4.121 0.030 1 400 43 43 VAL HB H 1.330 0.030 1 401 43 43 VAL HG1 H 0.337 0.030 1 402 43 43 VAL HG2 H 0.215 0.030 1 403 43 43 VAL C C 171.108 0.300 1 404 43 43 VAL CA C 57.575 0.300 1 405 43 43 VAL CB C 32.952 0.300 1 406 43 43 VAL CG1 C 18.152 0.300 2 407 43 43 VAL CG2 C 17.749 0.300 2 408 43 43 VAL N N 114.628 0.300 1 409 44 44 GLY H H 8.131 0.030 1 410 44 44 GLY HA2 H 4.841 0.030 2 411 44 44 GLY HA3 H 3.358 0.030 2 412 44 44 GLY C C 172.014 0.300 1 413 44 44 GLY CA C 41.349 0.300 1 414 44 44 GLY N N 110.475 0.300 1 415 45 45 ARG H H 8.531 0.030 1 416 45 45 ARG HA H 4.674 0.030 1 417 45 45 ARG HB2 H 1.947 0.030 2 418 45 45 ARG HB3 H 1.357 0.030 2 419 45 45 ARG HD2 H 2.973 0.030 2 420 45 45 ARG HD3 H 3.476 0.030 2 421 45 45 ARG HG2 H 1.107 0.030 2 422 45 45 ARG HG3 H 1.045 0.030 2 423 45 45 ARG C C 172.739 0.300 1 424 45 45 ARG CA C 50.338 0.300 1 425 45 45 ARG CB C 32.999 0.300 1 426 45 45 ARG CD C 40.680 0.300 1 427 45 45 ARG CG C 24.826 0.300 1 428 45 45 ARG N N 119.206 0.300 1 429 46 46 LYS HA H 4.252 0.030 1 430 46 46 LYS HB2 H 1.961 0.030 2 431 46 46 LYS HB3 H 1.713 0.030 2 432 46 46 LYS HD2 H 1.593 0.030 1 433 46 46 LYS HD3 H 1.593 0.030 1 434 46 46 LYS HE2 H 2.892 0.030 1 435 46 46 LYS HE3 H 2.892 0.030 1 436 46 46 LYS HG2 H 1.452 0.030 1 437 46 46 LYS HG3 H 1.452 0.030 1 438 46 46 LYS C C 172.596 0.300 1 439 46 46 LYS CA C 54.815 0.300 1 440 46 46 LYS CB C 31.407 0.300 1 441 46 46 LYS CD C 26.556 0.300 1 442 46 46 LYS CE C 39.694 0.300 1 443 46 46 LYS CG C 23.032 0.300 1 444 47 47 THR H H 7.233 0.030 1 445 47 47 THR HA H 4.733 0.030 1 446 47 47 THR HB H 4.554 0.030 1 447 47 47 THR HG2 H 1.149 0.030 1 448 47 47 THR C C 171.691 0.300 1 449 47 47 THR CA C 56.102 0.300 1 450 47 47 THR CB C 70.747 0.300 1 451 47 47 THR CG2 C 19.435 0.300 1 452 47 47 THR N N 104.457 0.300 1 453 48 48 ILE H H 9.028 0.030 1 454 48 48 ILE HA H 3.571 0.030 1 455 48 48 ILE HB H 1.967 0.030 1 456 48 48 ILE HD1 H 0.921 0.030 1 457 48 48 ILE HG12 H 1.397 0.030 2 458 48 48 ILE HG13 H 1.618 0.030 2 459 48 48 ILE HG2 H 0.983 0.030 1 460 48 48 ILE C C 175.626 0.300 1 461 48 48 ILE CA C 61.687 0.300 1 462 48 48 ILE CB C 34.591 0.300 1 463 48 48 ILE CD1 C 10.593 0.300 1 464 48 48 ILE CG1 C 26.924 0.300 1 465 48 48 ILE CG2 C 15.562 0.300 1 466 48 48 ILE N N 123.317 0.300 1 467 49 49 GLU H H 9.038 0.030 1 468 49 49 GLU HA H 3.901 0.030 1 469 49 49 GLU HB2 H 1.997 0.030 2 470 49 49 GLU HB3 H 1.877 0.030 2 471 49 49 GLU HG2 H 2.311 0.030 2 472 49 49 GLU HG3 H 2.248 0.030 2 473 49 49 GLU C C 177.188 0.300 1 474 49 49 GLU CA C 57.853 0.300 1 475 49 49 GLU CB C 26.501 0.300 1 476 49 49 GLU CG C 34.228 0.300 1 477 49 49 GLU N N 119.598 0.300 1 478 50 50 GLY H H 8.289 0.030 1 479 50 50 GLY HA2 H 3.928 0.030 2 480 50 50 GLY HA3 H 3.740 0.030 2 481 50 50 GLY C C 175.132 0.300 1 482 50 50 GLY CA C 44.133 0.300 1 483 50 50 GLY N N 107.723 0.300 1 484 51 51 LEU H H 8.068 0.030 1 485 51 51 LEU HA H 3.829 0.030 1 486 51 51 LEU HB2 H 1.690 0.030 2 487 51 51 LEU HB3 H 0.967 0.030 2 488 51 51 LEU HD1 H 0.518 0.030 1 489 51 51 LEU HD2 H -0.412 0.030 1 490 51 51 LEU HG H 0.981 0.030 1 491 51 51 LEU C C 175.993 0.300 1 492 51 51 LEU CA C 56.305 0.300 1 493 51 51 LEU CB C 38.571 0.300 1 494 51 51 LEU CD1 C 19.228 0.300 2 495 51 51 LEU CD2 C 22.017 0.300 2 496 51 51 LEU CG C 24.210 0.300 1 497 51 51 LEU N N 125.319 0.300 1 498 52 52 LYS H H 8.692 0.030 1 499 52 52 LYS HA H 3.764 0.030 1 500 52 52 LYS HB2 H 1.834 0.030 1 501 52 52 LYS HB3 H 1.834 0.030 1 502 52 52 LYS HD2 H 1.701 0.030 1 503 52 52 LYS HD3 H 1.701 0.030 1 504 52 52 LYS HE2 H 2.869 0.030 2 505 52 52 LYS HE3 H 2.980 0.030 2 506 52 52 LYS HG2 H 1.464 0.030 2 507 52 52 LYS HG3 H 1.737 0.030 2 508 52 52 LYS C C 177.064 0.300 1 509 52 52 LYS CA C 58.534 0.300 1 510 52 52 LYS CB C 29.579 0.300 1 511 52 52 LYS CD C 27.500 0.300 1 512 52 52 LYS CE C 39.777 0.300 1 513 52 52 LYS CG C 24.259 0.300 1 514 52 52 LYS N N 118.892 0.300 1 515 53 53 LYS H H 7.785 0.030 1 516 53 53 LYS HA H 4.013 0.030 1 517 53 53 LYS HB2 H 1.820 0.030 1 518 53 53 LYS HB3 H 1.820 0.030 1 519 53 53 LYS HD2 H 1.599 0.030 1 520 53 53 LYS HD3 H 1.599 0.030 1 521 53 53 LYS HE2 H 2.863 0.030 1 522 53 53 LYS HE3 H 2.863 0.030 1 523 53 53 LYS HG2 H 1.428 0.030 1 524 53 53 LYS HG3 H 1.428 0.030 1 525 53 53 LYS C C 176.899 0.300 1 526 53 53 LYS CA C 56.356 0.300 1 527 53 53 LYS CB C 29.581 0.300 1 528 53 53 LYS CD C 26.182 0.300 1 529 53 53 LYS CE C 39.815 0.300 1 530 53 53 LYS CG C 22.310 0.300 1 531 53 53 LYS N N 118.065 0.300 1 532 54 54 HIS H H 7.569 0.030 1 533 54 54 HIS HA H 4.278 0.030 1 534 54 54 HIS HB2 H 3.269 0.030 2 535 54 54 HIS HB3 H 3.041 0.030 2 536 54 54 HIS HD2 H 7.056 0.030 1 537 54 54 HIS HE1 H 7.840 0.030 1 538 54 54 HIS C C 175.161 0.300 1 539 54 54 HIS CA C 57.142 0.300 1 540 54 54 HIS CB C 25.090 0.300 1 541 54 54 HIS CE1 C 137.905 0.300 1 542 54 54 HIS N N 117.543 0.300 1 543 55 55 MET H H 8.728 0.030 1 544 55 55 MET HA H 3.518 0.030 1 545 55 55 MET HB2 H 2.806 0.030 2 546 55 55 MET HB3 H 2.714 0.030 2 547 55 55 MET HE H 2.075 0.030 1 548 55 55 MET HG2 H 2.237 0.030 2 549 55 55 MET HG3 H 1.876 0.030 2 550 55 55 MET C C 175.332 0.300 1 551 55 55 MET CA C 57.516 0.300 1 552 55 55 MET CB C 31.290 0.300 1 553 55 55 MET CE C 14.314 0.300 1 554 55 55 MET CG C 31.281 0.300 1 555 55 55 MET N N 117.201 0.300 1 556 56 56 GLU H H 7.322 0.030 1 557 56 56 GLU HA H 3.888 0.030 1 558 56 56 GLU HB2 H 1.989 0.030 2 559 56 56 GLU HB3 H 1.896 0.030 2 560 56 56 GLU HG2 H 2.176 0.030 2 561 56 56 GLU HG3 H 2.464 0.030 2 562 56 56 GLU C C 174.510 0.300 1 563 56 56 GLU CA C 56.704 0.300 1 564 56 56 GLU CB C 27.502 0.300 1 565 56 56 GLU CG C 33.940 0.300 1 566 56 56 GLU N N 117.193 0.300 1 567 57 57 ASN H H 6.914 0.030 1 568 57 57 ASN HA H 4.817 0.030 1 569 57 57 ASN HB2 H 2.814 0.030 2 570 57 57 ASN HB3 H 2.458 0.030 2 571 57 57 ASN HD21 H 6.890 0.030 2 572 57 57 ASN HD22 H 7.483 0.030 2 573 57 57 ASN C C 171.069 0.300 1 574 57 57 ASN CA C 50.038 0.300 1 575 57 57 ASN CB C 38.058 0.300 1 576 57 57 ASN N N 112.544 0.300 1 577 57 57 ASN ND2 N 113.869 0.300 1 578 58 58 CYS H H 7.074 0.030 1 579 58 58 CYS HA H 3.979 0.030 1 580 58 58 CYS HB2 H 2.464 0.030 2 581 58 58 CYS HB3 H 1.719 0.030 2 582 58 58 CYS C C 172.208 0.300 1 583 58 58 CYS CA C 58.356 0.300 1 584 58 58 CYS CB C 26.055 0.300 1 585 58 58 CYS N N 124.513 0.300 1 586 59 59 LYS H H 8.128 0.030 1 587 59 59 LYS HA H 4.302 0.030 1 588 59 59 LYS HB2 H 1.604 0.030 2 589 59 59 LYS HB3 H 1.715 0.030 2 590 59 59 LYS HD2 H 1.540 0.030 1 591 59 59 LYS HD3 H 1.540 0.030 1 592 59 59 LYS HE2 H 2.856 0.030 1 593 59 59 LYS HE3 H 2.856 0.030 1 594 59 59 LYS HG2 H 1.272 0.030 1 595 59 59 LYS HG3 H 1.272 0.030 1 596 59 59 LYS C C 173.652 0.300 1 597 59 59 LYS CA C 53.317 0.300 1 598 59 59 LYS CB C 31.331 0.300 1 599 59 59 LYS CD C 26.680 0.300 1 600 59 59 LYS CE C 39.859 0.300 1 601 59 59 LYS CG C 22.313 0.300 1 602 59 59 LYS N N 125.059 0.300 1 603 60 60 GLN H H 8.192 0.030 1 604 60 60 GLN HA H 4.148 0.030 1 605 60 60 GLN HB2 H 1.829 0.030 2 606 60 60 GLN HB3 H 1.932 0.030 2 607 60 60 GLN HE21 H 7.477 0.030 2 608 60 60 GLN HE22 H 6.777 0.030 2 609 60 60 GLN HG2 H 2.191 0.030 1 610 60 60 GLN HG3 H 2.191 0.030 1 611 60 60 GLN C C 173.091 0.300 1 612 60 60 GLN CA C 53.580 0.300 1 613 60 60 GLN CB C 27.309 0.300 1 614 60 60 GLN CG C 31.558 0.300 1 615 60 60 GLN N N 121.221 0.300 1 616 60 60 GLN NE2 N 112.465 0.300 1 617 61 61 GLU H H 8.339 0.030 1 618 61 61 GLU HA H 4.084 0.030 1 619 61 61 GLU HB2 H 1.779 0.030 2 620 61 61 GLU HB3 H 1.744 0.030 2 621 61 61 GLU HG2 H 1.932 0.030 2 622 61 61 GLU HG3 H 2.046 0.030 2 623 61 61 GLU C C 172.717 0.300 1 624 61 61 GLU CA C 54.094 0.300 1 625 61 61 GLU CB C 28.407 0.300 1 626 61 61 GLU CG C 33.927 0.300 1 627 61 61 GLU N N 123.593 0.300 1 628 62 62 MET H H 7.773 0.030 1 629 62 62 MET HA H 4.539 0.030 1 630 62 62 MET HB2 H 1.664 0.030 1 631 62 62 MET HB3 H 1.664 0.030 1 632 62 62 MET HE H 1.813 0.030 1 633 62 62 MET HG2 H 2.312 0.030 2 634 62 62 MET HG3 H 2.256 0.030 2 635 62 62 MET C C 172.812 0.300 1 636 62 62 MET CA C 51.942 0.300 1 637 62 62 MET CB C 31.871 0.300 1 638 62 62 MET CE C 14.772 0.300 1 639 62 62 MET CG C 29.958 0.300 1 640 62 62 MET N N 118.825 0.300 1 641 63 63 PHE H H 8.582 0.030 1 642 63 63 PHE HA H 4.515 0.030 1 643 63 63 PHE HB2 H 2.953 0.030 2 644 63 63 PHE HB3 H 2.504 0.030 2 645 63 63 PHE HD1 H 6.948 0.030 1 646 63 63 PHE HD2 H 6.948 0.030 1 647 63 63 PHE HE1 H 7.160 0.030 1 648 63 63 PHE HE2 H 7.160 0.030 1 649 63 63 PHE HZ H 7.177 0.030 1 650 63 63 PHE C C 172.346 0.300 1 651 63 63 PHE CA C 54.780 0.300 1 652 63 63 PHE CB C 38.572 0.300 1 653 63 63 PHE CD1 C 129.182 0.300 1 654 63 63 PHE CD2 C 129.182 0.300 1 655 63 63 PHE CE1 C 129.070 0.300 1 656 63 63 PHE CE2 C 129.070 0.300 1 657 63 63 PHE CZ C 127.517 0.300 1 658 63 63 PHE N N 121.782 0.300 1 659 64 64 THR H H 8.519 0.030 1 660 64 64 THR HA H 4.539 0.030 1 661 64 64 THR HB H 3.714 0.030 1 662 64 64 THR HG2 H 0.867 0.030 1 663 64 64 THR C C 171.652 0.300 1 664 64 64 THR CA C 59.715 0.300 1 665 64 64 THR CB C 67.952 0.300 1 666 64 64 THR CG2 C 19.061 0.300 1 667 64 64 THR N N 118.852 0.300 1 668 65 65 CYS H H 9.088 0.030 1 669 65 65 CYS HA H 4.261 0.030 1 670 65 65 CYS HB2 H 2.580 0.030 2 671 65 65 CYS HB3 H 3.107 0.030 2 672 65 65 CYS C C 174.900 0.300 1 673 65 65 CYS CA C 57.778 0.300 1 674 65 65 CYS CB C 27.363 0.300 1 675 65 65 CYS N N 129.446 0.300 1 676 66 66 HIS HA H 4.273 0.030 1 677 66 66 HIS HB2 H 2.820 0.030 2 678 66 66 HIS HB3 H 2.892 0.030 2 679 66 66 HIS HD2 H 6.582 0.030 1 680 66 66 HIS HE1 H 7.618 0.030 1 681 66 66 HIS C C 172.847 0.300 1 682 66 66 HIS CA C 55.838 0.300 1 683 66 66 HIS CB C 27.553 0.300 1 684 66 66 HIS CD2 C 116.734 0.300 1 685 66 66 HIS CE1 C 136.744 0.300 1 686 67 67 HIS H H 8.607 0.030 1 687 67 67 HIS HA H 4.192 0.030 1 688 67 67 HIS HB2 H 2.156 0.030 2 689 67 67 HIS HB3 H 1.620 0.030 2 690 67 67 HIS HD2 H 6.427 0.030 1 691 67 67 HIS HE1 H 7.666 0.030 1 692 67 67 HIS C C 174.481 0.300 1 693 67 67 HIS CA C 55.732 0.300 1 694 67 67 HIS CB C 27.457 0.300 1 695 67 67 HIS CD2 C 117.239 0.300 1 696 67 67 HIS CE1 C 136.099 0.300 1 697 67 67 HIS N N 119.813 0.300 1 698 68 68 CYS H H 8.020 0.030 1 699 68 68 CYS HA H 5.109 0.030 1 700 68 68 CYS HB2 H 3.392 0.030 2 701 68 68 CYS HB3 H 2.784 0.030 2 702 68 68 CYS C C 173.776 0.300 1 703 68 68 CYS CA C 56.162 0.300 1 704 68 68 CYS CB C 30.755 0.300 1 705 68 68 CYS N N 114.756 0.300 1 706 69 69 GLY H H 8.042 0.030 1 707 69 69 GLY HA2 H 4.144 0.030 2 708 69 69 GLY HA3 H 3.588 0.030 2 709 69 69 GLY C C 170.965 0.300 1 710 69 69 GLY CA C 43.640 0.300 1 711 69 69 GLY N N 113.002 0.300 1 712 70 70 LYS H H 8.038 0.030 1 713 70 70 LYS HA H 3.957 0.030 1 714 70 70 LYS HB2 H 1.648 0.030 2 715 70 70 LYS HB3 H 1.010 0.030 2 716 70 70 LYS HD2 H 1.451 0.030 2 717 70 70 LYS HD3 H 1.223 0.030 2 718 70 70 LYS HE2 H 2.833 0.030 2 719 70 70 LYS HE3 H 2.926 0.030 2 720 70 70 LYS HG2 H 1.284 0.030 2 721 70 70 LYS HG3 H 1.007 0.030 2 722 70 70 LYS C C 172.542 0.300 1 723 70 70 LYS CA C 55.322 0.300 1 724 70 70 LYS CB C 31.373 0.300 1 725 70 70 LYS CD C 26.814 0.300 1 726 70 70 LYS CE C 39.777 0.300 1 727 70 70 LYS CG C 23.012 0.300 1 728 70 70 LYS N N 123.036 0.300 1 729 71 71 GLN H H 8.383 0.030 1 730 71 71 GLN HA H 4.987 0.030 1 731 71 71 GLN HB2 H 1.855 0.030 2 732 71 71 GLN HB3 H 1.769 0.030 2 733 71 71 GLN HE21 H 6.708 0.030 2 734 71 71 GLN HE22 H 7.267 0.030 2 735 71 71 GLN HG2 H 2.308 0.030 2 736 71 71 GLN HG3 H 2.191 0.030 2 737 71 71 GLN C C 173.222 0.300 1 738 71 71 GLN CA C 52.596 0.300 1 739 71 71 GLN CB C 28.034 0.300 1 740 71 71 GLN CG C 31.831 0.300 1 741 71 71 GLN N N 122.688 0.300 1 742 71 71 GLN NE2 N 111.770 0.300 1 743 72 72 LEU H H 8.961 0.030 1 744 72 72 LEU HA H 4.745 0.030 1 745 72 72 LEU HB2 H 1.587 0.030 2 746 72 72 LEU HB3 H 1.826 0.030 2 747 72 72 LEU HD1 H 0.667 0.030 1 748 72 72 LEU HD2 H 0.621 0.030 1 749 72 72 LEU HG H 1.457 0.030 1 750 72 72 LEU C C 174.260 0.300 1 751 72 72 LEU CA C 50.532 0.300 1 752 72 72 LEU CB C 41.965 0.300 1 753 72 72 LEU CD1 C 22.011 0.300 2 754 72 72 LEU CD2 C 21.970 0.300 2 755 72 72 LEU CG C 25.964 0.300 1 756 72 72 LEU N N 125.424 0.300 1 757 73 73 ARG H H 8.592 0.030 1 758 73 73 ARG HA H 4.603 0.030 1 759 73 73 ARG HB2 H 1.997 0.030 2 760 73 73 ARG HB3 H 1.723 0.030 2 761 73 73 ARG HD2 H 3.143 0.030 1 762 73 73 ARG HD3 H 3.143 0.030 1 763 73 73 ARG HG2 H 1.576 0.030 2 764 73 73 ARG HG3 H 1.645 0.030 2 765 73 73 ARG C C 173.286 0.300 1 766 73 73 ARG CA C 54.516 0.300 1 767 73 73 ARG CB C 28.736 0.300 1 768 73 73 ARG CD C 40.916 0.300 1 769 73 73 ARG CG C 25.523 0.300 1 770 73 73 ARG N N 117.573 0.300 1 771 74 74 SER H H 7.491 0.030 1 772 74 74 SER HA H 4.551 0.030 1 773 74 74 SER HB2 H 4.028 0.030 2 774 74 74 SER HB3 H 3.840 0.030 2 775 74 74 SER C C 170.927 0.300 1 776 74 74 SER CA C 54.445 0.300 1 777 74 74 SER CB C 64.329 0.300 1 778 74 74 SER N N 110.442 0.300 1 779 75 75 LEU H H 8.517 0.030 1 780 75 75 LEU HA H 3.339 0.030 1 781 75 75 LEU HB2 H 1.391 0.030 2 782 75 75 LEU HB3 H 1.190 0.030 2 783 75 75 LEU HD1 H 0.703 0.030 1 784 75 75 LEU HD2 H 0.654 0.030 1 785 75 75 LEU HG H 1.184 0.030 1 786 75 75 LEU C C 176.876 0.300 1 787 75 75 LEU CA C 55.226 0.300 1 788 75 75 LEU CB C 38.792 0.300 1 789 75 75 LEU CD1 C 21.210 0.300 2 790 75 75 LEU CD2 C 22.275 0.300 2 791 75 75 LEU CG C 24.468 0.300 1 792 75 75 LEU N N 125.479 0.300 1 793 76 76 ALA H H 8.474 0.030 1 794 76 76 ALA HA H 3.890 0.030 1 795 76 76 ALA HB H 1.263 0.030 1 796 76 76 ALA C C 178.446 0.300 1 797 76 76 ALA CA C 52.806 0.300 1 798 76 76 ALA CB C 15.615 0.300 1 799 76 76 ALA N N 121.425 0.300 1 800 77 77 GLY H H 8.222 0.030 1 801 77 77 GLY HA2 H 3.815 0.030 1 802 77 77 GLY HA3 H 3.815 0.030 1 803 77 77 GLY C C 174.791 0.300 1 804 77 77 GLY CA C 44.328 0.300 1 805 77 77 GLY N N 106.734 0.300 1 806 78 78 MET H H 8.175 0.030 1 807 78 78 MET HA H 4.354 0.030 1 808 78 78 MET HB2 H 2.285 0.030 2 809 78 78 MET HB3 H 1.868 0.030 2 810 78 78 MET HE H 1.942 0.030 1 811 78 78 MET HG2 H 2.422 0.030 2 812 78 78 MET HG3 H 2.584 0.030 2 813 78 78 MET C C 174.719 0.300 1 814 78 78 MET CA C 55.925 0.300 1 815 78 78 MET CB C 28.200 0.300 1 816 78 78 MET CE C 15.220 0.300 1 817 78 78 MET CG C 29.259 0.300 1 818 78 78 MET N N 124.095 0.300 1 819 79 79 LYS H H 8.482 0.030 1 820 79 79 LYS HA H 3.893 0.030 1 821 79 79 LYS HB2 H 1.789 0.030 1 822 79 79 LYS HB3 H 1.789 0.030 1 823 79 79 LYS HD2 H 1.535 0.030 1 824 79 79 LYS HD3 H 1.535 0.030 1 825 79 79 LYS HE2 H 2.793 0.030 1 826 79 79 LYS HE3 H 2.793 0.030 1 827 79 79 LYS HG2 H 1.251 0.030 2 828 79 79 LYS HG3 H 1.454 0.030 2 829 79 79 LYS C C 177.302 0.300 1 830 79 79 LYS CA C 57.758 0.300 1 831 79 79 LYS CB C 29.643 0.300 1 832 79 79 LYS CD C 27.094 0.300 1 833 79 79 LYS CE C 39.777 0.300 1 834 79 79 LYS CG C 23.051 0.300 1 835 79 79 LYS N N 120.172 0.300 1 836 80 80 TYR H H 7.976 0.030 1 837 80 80 TYR HA H 4.119 0.030 1 838 80 80 TYR HB2 H 3.020 0.030 1 839 80 80 TYR HB3 H 3.020 0.030 1 840 80 80 TYR HD1 H 7.064 0.030 1 841 80 80 TYR HD2 H 7.064 0.030 1 842 80 80 TYR HE1 H 6.676 0.030 1 843 80 80 TYR HE2 H 6.676 0.030 1 844 80 80 TYR C C 174.802 0.300 1 845 80 80 TYR CA C 59.150 0.300 1 846 80 80 TYR CB C 35.562 0.300 1 847 80 80 TYR CD1 C 130.865 0.300 1 848 80 80 TYR CD2 C 130.865 0.300 1 849 80 80 TYR CE1 C 115.641 0.300 1 850 80 80 TYR CE2 C 115.641 0.300 1 851 80 80 TYR N N 118.357 0.300 1 852 81 81 HIS H H 8.264 0.030 1 853 81 81 HIS HA H 4.053 0.030 1 854 81 81 HIS HB2 H 3.689 0.030 2 855 81 81 HIS HB3 H 3.203 0.030 2 856 81 81 HIS HD2 H 7.267 0.030 1 857 81 81 HIS HE1 H 7.823 0.030 1 858 81 81 HIS C C 175.438 0.300 1 859 81 81 HIS CA C 57.750 0.300 1 860 81 81 HIS CB C 26.006 0.300 1 861 81 81 HIS CD2 C 125.874 0.300 1 862 81 81 HIS CE1 C 137.175 0.300 1 863 81 81 HIS N N 118.171 0.300 1 864 82 82 VAL H H 8.767 0.030 1 865 82 82 VAL HA H 3.400 0.030 1 866 82 82 VAL HB H 2.163 0.030 1 867 82 82 VAL HG1 H 1.012 0.030 1 868 82 82 VAL HG2 H 1.423 0.030 1 869 82 82 VAL C C 175.683 0.300 1 870 82 82 VAL CA C 64.890 0.300 1 871 82 82 VAL CB C 29.643 0.300 1 872 82 82 VAL CG1 C 19.745 0.300 2 873 82 82 VAL CG2 C 21.670 0.300 2 874 82 82 VAL N N 119.617 0.300 1 875 83 83 MET H H 7.673 0.030 1 876 83 83 MET HA H 3.979 0.030 1 877 83 83 MET HB2 H 1.978 0.030 1 878 83 83 MET HB3 H 1.978 0.030 1 879 83 83 MET HE H 1.915 0.030 1 880 83 83 MET HG2 H 2.542 0.030 2 881 83 83 MET HG3 H 2.409 0.030 2 882 83 83 MET C C 175.222 0.300 1 883 83 83 MET CA C 56.087 0.300 1 884 83 83 MET CB C 30.016 0.300 1 885 83 83 MET CE C 14.362 0.300 1 886 83 83 MET CG C 29.396 0.300 1 887 83 83 MET N N 118.816 0.300 1 888 84 84 ALA H H 7.927 0.030 1 889 84 84 ALA HA H 3.945 0.030 1 890 84 84 ALA HB H 0.958 0.030 1 891 84 84 ALA C C 176.798 0.300 1 892 84 84 ALA CA C 51.414 0.300 1 893 84 84 ALA CB C 16.649 0.300 1 894 84 84 ALA N N 117.351 0.300 1 895 85 85 ASN H H 7.363 0.030 1 896 85 85 ASN HA H 4.457 0.030 1 897 85 85 ASN HB2 H 1.561 0.030 2 898 85 85 ASN HB3 H 1.175 0.030 2 899 85 85 ASN HD21 H 7.106 0.030 2 900 85 85 ASN HD22 H 6.993 0.030 2 901 85 85 ASN C C 172.486 0.300 1 902 85 85 ASN CA C 51.852 0.300 1 903 85 85 ASN CB C 37.430 0.300 1 904 85 85 ASN N N 110.869 0.300 1 905 85 85 ASN ND2 N 114.282 0.300 1 906 86 86 HIS H H 7.738 0.030 1 907 86 86 HIS HA H 5.009 0.030 1 908 86 86 HIS HB2 H 2.676 0.030 2 909 86 86 HIS HB3 H 2.472 0.030 2 910 86 86 HIS HD2 H 6.495 0.030 1 911 86 86 HIS HE1 H 7.892 0.030 1 912 86 86 HIS C C 171.748 0.300 1 913 86 86 HIS CA C 50.598 0.300 1 914 86 86 HIS CB C 26.383 0.300 1 915 86 86 HIS CD2 C 125.647 0.300 1 916 86 86 HIS CE1 C 137.505 0.300 1 917 86 86 HIS N N 115.873 0.300 1 918 87 87 ASN H H 7.993 0.030 1 919 87 87 ASN HA H 4.602 0.030 1 920 87 87 ASN HB2 H 2.768 0.030 2 921 87 87 ASN HB3 H 2.703 0.030 2 922 87 87 ASN HD21 H 7.424 0.030 2 923 87 87 ASN HD22 H 6.755 0.030 2 924 87 87 ASN C C 172.614 0.300 1 925 87 87 ASN CA C 51.226 0.300 1 926 87 87 ASN CB C 37.008 0.300 1 927 87 87 ASN N N 118.774 0.300 1 928 87 87 ASN ND2 N 112.106 0.300 1 929 88 88 SER H H 8.041 0.030 1 930 88 88 SER HA H 4.328 0.030 1 931 88 88 SER HB2 H 3.713 0.030 1 932 88 88 SER HB3 H 3.713 0.030 1 933 88 88 SER C C 171.620 0.300 1 934 88 88 SER CA C 55.855 0.300 1 935 88 88 SER CB C 61.401 0.300 1 936 88 88 SER N N 114.808 0.300 1 937 89 89 LEU H H 8.052 0.030 1 938 89 89 LEU HA H 4.509 0.030 1 939 89 89 LEU HB2 H 1.483 0.030 2 940 89 89 LEU HB3 H 1.418 0.030 2 941 89 89 LEU HD1 H 0.770 0.030 1 942 89 89 LEU HD2 H 0.770 0.030 1 943 89 89 LEU HG H 1.521 0.030 1 944 89 89 LEU C C 173.030 0.300 1 945 89 89 LEU CA C 50.726 0.300 1 946 89 89 LEU CB C 39.290 0.300 1 947 89 89 LEU CD1 C 22.827 0.300 2 948 89 89 LEU CD2 C 20.942 0.300 2 949 89 89 LEU CG C 24.616 0.300 1 950 89 89 LEU N N 124.287 0.300 1 951 90 90 PRO HA H 4.360 0.030 1 952 90 90 PRO HB2 H 2.198 0.030 2 953 90 90 PRO HB3 H 1.837 0.030 2 954 90 90 PRO HD2 H 3.741 0.030 2 955 90 90 PRO HD3 H 3.546 0.030 2 956 90 90 PRO HG2 H 1.914 0.030 1 957 90 90 PRO HG3 H 1.914 0.030 1 958 90 90 PRO CA C 60.923 0.300 1 959 90 90 PRO CB C 29.722 0.300 1 960 90 90 PRO CD C 48.186 0.300 1 961 90 90 PRO CG C 25.043 0.300 1 962 91 91 SER H H 8.288 0.030 1 963 91 91 SER HA H 4.360 0.030 1 964 91 91 SER HB2 H 3.741 0.030 1 965 91 91 SER HB3 H 3.741 0.030 1 966 91 91 SER CA C 55.838 0.300 1 967 91 91 SER CB C 61.692 0.300 1 968 91 91 SER N N 115.569 0.300 1 969 92 92 GLY H H 8.104 0.030 1 970 92 92 GLY HA2 H 3.986 0.030 2 971 92 92 GLY HA3 H 4.050 0.030 2 972 92 92 GLY CA C 42.308 0.300 1 973 92 92 GLY N N 110.190 0.300 1 974 93 93 PRO HA H 4.360 0.030 1 975 93 93 PRO HB2 H 2.205 0.030 2 976 93 93 PRO HB3 H 1.854 0.030 2 977 93 93 PRO HD2 H 3.516 0.030 1 978 93 93 PRO HD3 H 3.516 0.030 1 979 93 93 PRO HG2 H 1.907 0.030 1 980 93 93 PRO HG3 H 1.907 0.030 1 981 93 93 PRO CA C 60.869 0.300 1 982 93 93 PRO CB C 29.807 0.300 1 983 93 93 PRO CD C 47.439 0.300 1 984 93 93 PRO CG C 24.699 0.300 1 985 94 94 SER H H 8.433 0.030 1 986 94 94 SER HA H 4.406 0.030 1 987 94 94 SER HB2 H 3.789 0.030 1 988 94 94 SER HB3 H 3.789 0.030 1 989 94 94 SER C C 172.312 0.300 1 990 94 94 SER CA C 55.979 0.300 1 991 94 94 SER CB C 61.363 0.300 1 992 94 94 SER N N 116.021 0.300 1 993 95 95 SER H H 8.228 0.030 1 994 95 95 SER HA H 4.370 0.030 1 995 95 95 SER HB2 H 3.789 0.030 2 996 95 95 SER C C 171.572 0.300 1 997 95 95 SER CA C 56.014 0.300 1 998 95 95 SER CB C 61.610 0.300 1 999 95 95 SER N N 117.441 0.300 1 1000 96 96 GLY H H 7.948 0.030 1 1001 96 96 GLY HA2 H 3.647 0.030 2 1002 96 96 GLY HA3 H 3.692 0.030 2 1003 96 96 GLY C C 176.624 0.300 1 1004 96 96 GLY CA C 43.851 0.300 1 1005 96 96 GLY N N 116.438 0.300 1 stop_ save_