data_11287 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc-binding domain of human zinc finger protein 292 ; _BMRB_accession_number 11287 _BMRB_flat_file_name bmr11287.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yoneyama M. . . 2 Tomizawa T. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 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" 396 "13C chemical shifts" 297 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C2H2 type zinc-binding domain of human zinc finger protein 292 ; _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 Tomizawa T. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 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 'Zinc finger protein 292' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C2H2 type zinc-binding domain' $entity_1 'ZINC ION' $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 'C2H2 type zinc-binding domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; GSSGSSGRKKPVSQSLEFPT RYSPYRPYRCVHQGCFAAFT IQQNLILHYQAVHKSDLPAF SAEVEEESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 LYS 10 LYS 11 PRO 12 VAL 13 SER 14 GLN 15 SER 16 LEU 17 GLU 18 PHE 19 PRO 20 THR 21 ARG 22 TYR 23 SER 24 PRO 25 TYR 26 ARG 27 PRO 28 TYR 29 ARG 30 CYS 31 VAL 32 HIS 33 GLN 34 GLY 35 CYS 36 PHE 37 ALA 38 ALA 39 PHE 40 THR 41 ILE 42 GLN 43 GLN 44 ASN 45 LEU 46 ILE 47 LEU 48 HIS 49 TYR 50 GLN 51 ALA 52 VAL 53 HIS 54 LYS 55 SER 56 ASP 57 LEU 58 PRO 59 ALA 60 PHE 61 SER 62 ALA 63 GLU 64 VAL 65 GLU 66 GLU 67 GLU 68 SER 69 GLY 70 PRO 71 SER 72 SER 73 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 1X3C "Solution Structure Of The C2h2 Type Zinc-Binding Domain Of Human Zinc Finger Protein 292" 100.00 73 100.00 100.00 8.12e-45 DBJ BAA25456 "KIAA0530 protein [Homo sapiens]" 83.56 1563 100.00 100.00 3.94e-34 DBJ BAB14654 "unnamed protein product [Homo sapiens]" 83.56 627 100.00 100.00 4.93e-35 DBJ BAI45414 "zinc finger protein 292 [synthetic construct]" 83.56 2264 100.00 100.00 1.06e-33 EMBL CAD97823 "hypothetical protein [Homo sapiens]" 83.56 1624 100.00 100.00 1.10e-33 GB AAB06954 "zinc finger protein 15, partial [Macaca mulatta]" 58.90 236 97.67 100.00 1.40e-22 GB AAH63594 "ZNF292 protein, partial [Homo sapiens]" 83.56 632 100.00 100.00 5.49e-35 GB AAI72360 "Zinc finger protein 292 [synthetic construct]" 83.56 2723 100.00 100.00 1.46e-33 GB AAV86070 "zinc finger protein 292 [Homo sapiens]" 67.12 618 100.00 100.00 2.60e-26 GB AEB61065 "zinc finger 292-like protein, partial [Equus caballus]" 83.56 351 98.36 98.36 2.71e-34 REF NP_001179779 "zinc finger protein 292 [Bos taurus]" 83.56 2719 98.36 98.36 3.27e-32 REF NP_055836 "zinc finger protein 292 [Homo sapiens]" 83.56 2723 100.00 100.00 1.46e-33 REF XP_001088554 "PREDICTED: zinc finger protein 292 [Macaca mulatta]" 83.56 2584 98.36 100.00 3.16e-33 REF XP_002806763 "PREDICTED: LOW QUALITY PROTEIN: zinc finger protein 292 [Callithrix jacchus]" 83.56 2723 100.00 100.00 1.46e-33 REF XP_002817165 "PREDICTED: zinc finger protein 292 isoform X1 [Pongo abelii]" 83.56 2724 100.00 100.00 1.36e-33 SP O60281 "RecName: Full=Zinc finger protein 292" 83.56 2723 100.00 100.00 1.46e-33 TPG DAA26182 "TPA: zinc finger protein 292 [Bos taurus]" 83.56 2719 98.36 98.36 3.27e-32 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' 'E. coli' Escherichia coli . P041018-02 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.90mM C2H2 type zinc-binding domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZnCl2;} 0.1mM {NTA;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.90 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' NTA 0.1 mM '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 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 0.9295 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 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' 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 'C2H2 type zinc-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 3.948 0.030 1 2 7 7 GLY HA3 H 3.948 0.030 1 3 7 7 GLY C C 173.999 0.300 1 4 7 7 GLY CA C 45.346 0.300 1 5 8 8 ARG H H 8.107 0.030 1 6 8 8 ARG HA H 4.312 0.030 1 7 8 8 ARG HB2 H 1.730 0.030 2 8 8 8 ARG HB3 H 1.826 0.030 2 9 8 8 ARG HD2 H 3.178 0.030 1 10 8 8 ARG HD3 H 3.178 0.030 1 11 8 8 ARG HG2 H 1.602 0.030 1 12 8 8 ARG HG3 H 1.602 0.030 1 13 8 8 ARG C C 176.331 0.300 1 14 8 8 ARG CA C 56.077 0.300 1 15 8 8 ARG CB C 30.923 0.300 1 16 8 8 ARG CD C 43.340 0.300 1 17 8 8 ARG CG C 27.096 0.300 1 18 8 8 ARG N N 120.583 0.300 1 19 9 9 LYS H H 8.390 0.030 1 20 9 9 LYS HA H 4.292 0.030 1 21 9 9 LYS HB2 H 1.714 0.030 2 22 9 9 LYS HB3 H 1.783 0.030 2 23 9 9 LYS HD2 H 1.656 0.030 1 24 9 9 LYS HD3 H 1.656 0.030 1 25 9 9 LYS HE2 H 2.975 0.030 1 26 9 9 LYS HE3 H 2.975 0.030 1 27 9 9 LYS HG2 H 1.385 0.030 2 28 9 9 LYS HG3 H 1.437 0.030 2 29 9 9 LYS C C 176.306 0.300 1 30 9 9 LYS CA C 56.093 0.300 1 31 9 9 LYS CB C 33.115 0.300 1 32 9 9 LYS CD C 29.058 0.300 1 33 9 9 LYS CE C 42.213 0.300 1 34 9 9 LYS CG C 24.700 0.300 1 35 9 9 LYS N N 123.242 0.300 1 36 10 10 LYS H H 8.367 0.030 1 37 10 10 LYS HA H 4.545 0.030 1 38 10 10 LYS HB2 H 1.697 0.030 2 39 10 10 LYS HB3 H 1.787 0.030 2 40 10 10 LYS HD2 H 1.674 0.030 1 41 10 10 LYS HD3 H 1.674 0.030 1 42 10 10 LYS HE2 H 2.980 0.030 1 43 10 10 LYS HE3 H 2.980 0.030 1 44 10 10 LYS HG2 H 1.445 0.030 2 45 10 10 LYS HG3 H 1.476 0.030 2 46 10 10 LYS C C 174.460 0.300 1 47 10 10 LYS CA C 54.263 0.300 1 48 10 10 LYS CB C 32.533 0.300 1 49 10 10 LYS CD C 29.149 0.300 1 50 10 10 LYS CE C 42.203 0.300 1 51 10 10 LYS CG C 24.674 0.300 1 52 10 10 LYS N N 124.537 0.300 1 53 11 11 PRO HA H 4.450 0.030 1 54 11 11 PRO HB2 H 1.874 0.030 2 55 11 11 PRO HB3 H 2.270 0.030 2 56 11 11 PRO HD2 H 3.609 0.030 2 57 11 11 PRO HD3 H 3.822 0.030 2 58 11 11 PRO HG2 H 1.994 0.030 1 59 11 11 PRO HG3 H 1.994 0.030 1 60 11 11 PRO C C 176.986 0.300 1 61 11 11 PRO CA C 62.899 0.300 1 62 11 11 PRO CB C 32.156 0.300 1 63 11 11 PRO CD C 50.597 0.300 1 64 11 11 PRO CG C 27.423 0.300 1 65 12 12 VAL H H 8.298 0.030 1 66 12 12 VAL HA H 4.082 0.030 1 67 12 12 VAL HB H 2.059 0.030 1 68 12 12 VAL HG1 H 0.940 0.030 1 69 12 12 VAL HG2 H 0.949 0.030 1 70 12 12 VAL C C 176.428 0.300 1 71 12 12 VAL CA C 62.382 0.300 1 72 12 12 VAL CB C 32.796 0.300 1 73 12 12 VAL CG1 C 21.011 0.300 2 74 12 12 VAL CG2 C 20.626 0.300 2 75 12 12 VAL N N 120.659 0.300 1 76 13 13 SER H H 8.355 0.030 1 77 13 13 SER C C 174.485 0.300 1 78 13 13 SER CA C 58.266 0.300 1 79 13 13 SER CB C 63.810 0.300 1 80 13 13 SER N N 119.126 0.300 1 81 14 14 GLN HA H 4.362 0.030 1 82 14 14 GLN HB2 H 1.952 0.030 2 83 14 14 GLN HB3 H 2.115 0.030 2 84 14 14 GLN HE21 H 6.862 0.030 2 85 14 14 GLN HE22 H 7.547 0.030 2 86 14 14 GLN HG2 H 2.345 0.030 1 87 14 14 GLN HG3 H 2.345 0.030 1 88 14 14 GLN C C 175.845 0.300 1 89 14 14 GLN CA C 56.081 0.300 1 90 14 14 GLN CB C 29.656 0.300 1 91 14 14 GLN CG C 33.836 0.300 1 92 15 15 SER H H 8.328 0.030 1 93 15 15 SER HA H 4.396 0.030 1 94 15 15 SER HB2 H 3.834 0.030 1 95 15 15 SER HB3 H 3.834 0.030 1 96 15 15 SER C C 174.485 0.300 1 97 15 15 SER CA C 58.442 0.300 1 98 15 15 SER CB C 63.683 0.300 1 99 15 15 SER N N 116.919 0.300 1 100 16 16 LEU H H 8.244 0.030 1 101 16 16 LEU HA H 4.299 0.030 1 102 16 16 LEU HB2 H 1.498 0.030 2 103 16 16 LEU HB3 H 1.578 0.030 2 104 16 16 LEU HD1 H 0.894 0.030 1 105 16 16 LEU HD2 H 0.831 0.030 1 106 16 16 LEU HG H 1.573 0.030 1 107 16 16 LEU C C 176.913 0.300 1 108 16 16 LEU CA C 55.148 0.300 1 109 16 16 LEU CB C 42.231 0.300 1 110 16 16 LEU CD1 C 24.938 0.300 2 111 16 16 LEU CD2 C 23.360 0.300 2 112 16 16 LEU CG C 27.040 0.300 1 113 16 16 LEU N N 124.131 0.300 1 114 17 17 GLU H H 8.196 0.030 1 115 17 17 GLU HA H 4.133 0.030 1 116 17 17 GLU HB2 H 1.776 0.030 2 117 17 17 GLU HB3 H 1.817 0.030 2 118 17 17 GLU HG2 H 1.980 0.030 2 119 17 17 GLU HG3 H 2.114 0.030 2 120 17 17 GLU C C 174.655 0.300 1 121 17 17 GLU CA C 56.490 0.300 1 122 17 17 GLU CB C 30.686 0.300 1 123 17 17 GLU CG C 36.183 0.300 1 124 17 17 GLU N N 121.404 0.300 1 125 18 18 PHE H H 8.143 0.030 1 126 18 18 PHE HA H 4.845 0.030 1 127 18 18 PHE HB2 H 3.105 0.030 2 128 18 18 PHE HB3 H 2.883 0.030 2 129 18 18 PHE HD1 H 7.233 0.030 1 130 18 18 PHE HD2 H 7.233 0.030 1 131 18 18 PHE C C 173.974 0.300 1 132 18 18 PHE CA C 55.567 0.300 1 133 18 18 PHE CB C 39.081 0.300 1 134 18 18 PHE CD1 C 131.982 0.300 1 135 18 18 PHE CD2 C 131.982 0.300 1 136 18 18 PHE N N 120.901 0.300 1 137 19 19 PRO HA H 4.461 0.030 1 138 19 19 PRO HB2 H 1.892 0.030 2 139 19 19 PRO HB3 H 2.260 0.030 2 140 19 19 PRO HD2 H 3.529 0.030 2 141 19 19 PRO HD3 H 3.676 0.030 2 142 19 19 PRO HG2 H 1.955 0.030 1 143 19 19 PRO HG3 H 1.955 0.030 1 144 19 19 PRO C C 177.084 0.300 1 145 19 19 PRO CA C 63.437 0.300 1 146 19 19 PRO CB C 32.033 0.300 1 147 19 19 PRO CD C 50.595 0.300 1 148 19 19 PRO CG C 27.312 0.300 1 149 20 20 THR H H 8.128 0.030 1 150 20 20 THR HA H 4.261 0.030 1 151 20 20 THR HB H 4.174 0.030 1 152 20 20 THR HG2 H 1.155 0.030 1 153 20 20 THR C C 174.533 0.300 1 154 20 20 THR CA C 61.990 0.300 1 155 20 20 THR CB C 69.705 0.300 1 156 20 20 THR CG2 C 21.799 0.300 1 157 20 20 THR N N 113.516 0.300 1 158 21 21 ARG H H 8.136 0.030 1 159 21 21 ARG HA H 4.233 0.030 1 160 21 21 ARG HB2 H 1.661 0.030 1 161 21 21 ARG HB3 H 1.661 0.030 1 162 21 21 ARG HD2 H 3.044 0.030 1 163 21 21 ARG HD3 H 3.044 0.030 1 164 21 21 ARG HG2 H 1.418 0.030 1 165 21 21 ARG HG3 H 1.418 0.030 1 166 21 21 ARG C C 175.675 0.300 1 167 21 21 ARG CA C 56.102 0.300 1 168 21 21 ARG CB C 30.950 0.300 1 169 21 21 ARG CD C 43.271 0.300 1 170 21 21 ARG CG C 26.784 0.300 1 171 21 21 ARG N N 122.414 0.300 1 172 22 22 TYR H H 8.202 0.030 1 173 22 22 TYR HA H 4.548 0.030 1 174 22 22 TYR HB2 H 2.863 0.030 2 175 22 22 TYR HB3 H 2.947 0.030 2 176 22 22 TYR HD1 H 7.053 0.030 1 177 22 22 TYR HD2 H 7.053 0.030 1 178 22 22 TYR HE1 H 6.765 0.030 1 179 22 22 TYR HE2 H 6.765 0.030 1 180 22 22 TYR C C 175.310 0.300 1 181 22 22 TYR CA C 57.661 0.300 1 182 22 22 TYR CB C 39.051 0.300 1 183 22 22 TYR CD1 C 133.029 0.300 1 184 22 22 TYR CD2 C 133.029 0.300 1 185 22 22 TYR CE1 C 118.112 0.300 1 186 22 22 TYR CE2 C 118.112 0.300 1 187 22 22 TYR N N 121.159 0.300 1 188 23 23 SER H H 8.161 0.030 1 189 23 23 SER HA H 4.655 0.030 1 190 23 23 SER HB2 H 3.678 0.030 2 191 23 23 SER HB3 H 3.779 0.030 2 192 23 23 SER C C 172.881 0.300 1 193 23 23 SER CA C 55.562 0.300 1 194 23 23 SER CB C 63.945 0.300 1 195 23 23 SER N N 119.305 0.300 1 196 24 24 PRO HA H 4.261 0.030 1 197 24 24 PRO HB2 H 2.160 0.030 2 198 24 24 PRO HB3 H 1.614 0.030 2 199 24 24 PRO HD2 H 3.590 0.030 2 200 24 24 PRO HD3 H 3.529 0.030 2 201 24 24 PRO HG2 H 1.887 0.030 2 202 24 24 PRO HG3 H 1.684 0.030 2 203 24 24 PRO CA C 63.172 0.300 1 204 24 24 PRO CB C 32.011 0.300 1 205 24 24 PRO CD C 50.699 0.300 1 206 24 24 PRO CG C 26.962 0.300 1 207 25 25 TYR H H 8.015 0.030 1 208 25 25 TYR HA H 4.459 0.030 1 209 25 25 TYR HB2 H 2.994 0.030 2 210 25 25 TYR HB3 H 2.878 0.030 2 211 25 25 TYR HD1 H 7.065 0.030 1 212 25 25 TYR HD2 H 7.065 0.030 1 213 25 25 TYR HE1 H 6.772 0.030 1 214 25 25 TYR HE2 H 6.772 0.030 1 215 25 25 TYR CA C 57.922 0.300 1 216 25 25 TYR CB C 38.295 0.300 1 217 25 25 TYR CD1 C 133.029 0.300 1 218 25 25 TYR CD2 C 133.029 0.300 1 219 25 25 TYR CE1 C 118.112 0.300 1 220 25 25 TYR CE2 C 118.112 0.300 1 221 25 25 TYR N N 119.667 0.300 1 222 26 26 ARG H H 7.789 0.030 1 223 26 26 ARG HA H 4.344 0.030 1 224 26 26 ARG HB2 H 1.442 0.030 2 225 26 26 ARG HB3 H 1.253 0.030 2 226 26 26 ARG HD2 H 2.942 0.030 2 227 26 26 ARG HD3 H 2.892 0.030 2 228 26 26 ARG HG2 H 1.334 0.030 2 229 26 26 ARG HG3 H 1.283 0.030 2 230 26 26 ARG CA C 53.204 0.300 1 231 26 26 ARG CB C 30.979 0.300 1 232 26 26 ARG CD C 43.547 0.300 1 233 26 26 ARG CG C 27.042 0.300 1 234 26 26 ARG N N 122.774 0.300 1 235 27 27 PRO HA H 4.110 0.030 1 236 27 27 PRO HB2 H 1.216 0.030 2 237 27 27 PRO HB3 H 1.892 0.030 2 238 27 27 PRO HD2 H 3.152 0.030 2 239 27 27 PRO HD3 H 3.592 0.030 2 240 27 27 PRO HG2 H 1.438 0.030 2 241 27 27 PRO HG3 H 1.702 0.030 2 242 27 27 PRO C C 176.598 0.300 1 243 27 27 PRO CA C 63.664 0.300 1 244 27 27 PRO CB C 32.268 0.300 1 245 27 27 PRO CD C 50.092 0.300 1 246 27 27 PRO CG C 26.268 0.300 1 247 28 28 TYR H H 7.677 0.030 1 248 28 28 TYR HA H 4.657 0.030 1 249 28 28 TYR HB2 H 2.787 0.030 2 250 28 28 TYR HB3 H 2.943 0.030 2 251 28 28 TYR HD1 H 6.961 0.030 1 252 28 28 TYR HD2 H 6.961 0.030 1 253 28 28 TYR HE1 H 6.878 0.030 1 254 28 28 TYR HE2 H 6.878 0.030 1 255 28 28 TYR C C 174.752 0.300 1 256 28 28 TYR CA C 57.656 0.300 1 257 28 28 TYR CB C 37.344 0.300 1 258 28 28 TYR CD1 C 133.029 0.300 1 259 28 28 TYR CD2 C 133.029 0.300 1 260 28 28 TYR CE1 C 118.620 0.300 1 261 28 28 TYR CE2 C 118.620 0.300 1 262 28 28 TYR N N 118.427 0.300 1 263 29 29 ARG H H 8.232 0.030 1 264 29 29 ARG HA H 4.706 0.030 1 265 29 29 ARG HB2 H 1.650 0.030 2 266 29 29 ARG HB3 H 1.817 0.030 2 267 29 29 ARG HD2 H 3.051 0.030 2 268 29 29 ARG HD3 H 2.973 0.030 2 269 29 29 ARG HG2 H 1.489 0.030 1 270 29 29 ARG HG3 H 1.489 0.030 1 271 29 29 ARG C C 174.679 0.300 1 272 29 29 ARG CA C 55.065 0.300 1 273 29 29 ARG CB C 32.251 0.300 1 274 29 29 ARG CD C 43.287 0.300 1 275 29 29 ARG CG C 27.308 0.300 1 276 29 29 ARG N N 125.011 0.300 1 277 30 30 CYS H H 8.427 0.030 1 278 30 30 CYS HA H 4.423 0.030 1 279 30 30 CYS HB2 H 2.662 0.030 2 280 30 30 CYS HB3 H 3.003 0.030 2 281 30 30 CYS C C 177.229 0.300 1 282 30 30 CYS CA C 61.333 0.300 1 283 30 30 CYS CB C 30.198 0.300 1 284 30 30 CYS N N 125.380 0.300 1 285 31 31 VAL H H 7.711 0.030 1 286 31 31 VAL HA H 4.444 0.030 1 287 31 31 VAL HB H 2.418 0.030 1 288 31 31 VAL HG1 H 0.987 0.030 1 289 31 31 VAL HG2 H 0.760 0.030 1 290 31 31 VAL C C 176.622 0.300 1 291 31 31 VAL CA C 61.772 0.300 1 292 31 31 VAL CB C 31.911 0.300 1 293 31 31 VAL CG1 C 20.992 0.300 2 294 31 31 VAL CG2 C 17.887 0.300 2 295 31 31 VAL N N 120.650 0.300 1 296 32 32 HIS H H 9.241 0.030 1 297 32 32 HIS HA H 4.113 0.030 1 298 32 32 HIS HB2 H 2.626 0.030 2 299 32 32 HIS HB3 H 2.696 0.030 2 300 32 32 HIS HD2 H 6.446 0.030 1 301 32 32 HIS HE1 H 7.638 0.030 1 302 32 32 HIS C C 176.088 0.300 1 303 32 32 HIS CA C 58.309 0.300 1 304 32 32 HIS CB C 30.425 0.300 1 305 32 32 HIS CD2 C 120.206 0.300 1 306 32 32 HIS CE1 C 138.189 0.300 1 307 32 32 HIS N N 126.990 0.300 1 308 33 33 GLN H H 8.584 0.030 1 309 33 33 GLN HA H 3.934 0.030 1 310 33 33 GLN HB2 H 1.934 0.030 2 311 33 33 GLN HB3 H 1.973 0.030 2 312 33 33 GLN HE21 H 7.554 0.030 2 313 33 33 GLN HE22 H 6.862 0.030 2 314 33 33 GLN HG2 H 2.345 0.030 1 315 33 33 GLN HG3 H 2.345 0.030 1 316 33 33 GLN C C 177.472 0.300 1 317 33 33 GLN CA C 57.652 0.300 1 318 33 33 GLN CB C 28.094 0.300 1 319 33 33 GLN CG C 33.551 0.300 1 320 33 33 GLN N N 126.166 0.300 1 321 34 34 GLY H H 8.782 0.030 1 322 34 34 GLY HA2 H 3.544 0.030 2 323 34 34 GLY HA3 H 4.056 0.030 2 324 34 34 GLY C C 172.056 0.300 1 325 34 34 GLY CA C 45.344 0.300 1 326 34 34 GLY N N 113.437 0.300 1 327 35 35 CYS H H 7.583 0.030 1 328 35 35 CYS HA H 4.444 0.030 1 329 35 35 CYS HB2 H 2.749 0.030 2 330 35 35 CYS HB3 H 3.256 0.030 2 331 35 35 CYS C C 175.019 0.300 1 332 35 35 CYS CA C 59.681 0.300 1 333 35 35 CYS CB C 30.697 0.300 1 334 35 35 CYS N N 122.402 0.300 1 335 36 36 PHE H H 8.612 0.030 1 336 36 36 PHE HA H 4.703 0.030 1 337 36 36 PHE HB2 H 3.331 0.030 2 338 36 36 PHE HB3 H 2.835 0.030 2 339 36 36 PHE HD1 H 7.159 0.030 1 340 36 36 PHE HD2 H 7.159 0.030 1 341 36 36 PHE HE1 H 7.279 0.030 1 342 36 36 PHE HE2 H 7.279 0.030 1 343 36 36 PHE HZ H 7.257 0.030 1 344 36 36 PHE C C 175.237 0.300 1 345 36 36 PHE CA C 57.384 0.300 1 346 36 36 PHE CB C 38.058 0.300 1 347 36 36 PHE CD1 C 131.973 0.300 1 348 36 36 PHE CD2 C 131.973 0.300 1 349 36 36 PHE CE1 C 131.197 0.300 1 350 36 36 PHE CE2 C 131.197 0.300 1 351 36 36 PHE CZ C 129.365 0.300 1 352 37 37 ALA H H 8.222 0.030 1 353 37 37 ALA HA H 3.920 0.030 1 354 37 37 ALA HB H 0.865 0.030 1 355 37 37 ALA C C 175.310 0.300 1 356 37 37 ALA CA C 53.733 0.300 1 357 37 37 ALA CB C 19.715 0.300 1 358 37 37 ALA N N 126.231 0.300 1 359 38 38 ALA H H 7.364 0.030 1 360 38 38 ALA HA H 4.869 0.030 1 361 38 38 ALA HB H 1.159 0.030 1 362 38 38 ALA C C 175.456 0.300 1 363 38 38 ALA CA C 51.061 0.300 1 364 38 38 ALA CB C 22.347 0.300 1 365 38 38 ALA N N 122.008 0.300 1 366 39 39 PHE H H 8.662 0.030 1 367 39 39 PHE HA H 4.857 0.030 1 368 39 39 PHE HB2 H 3.664 0.030 2 369 39 39 PHE HB3 H 2.578 0.030 2 370 39 39 PHE HD1 H 7.282 0.030 1 371 39 39 PHE HD2 H 7.282 0.030 1 372 39 39 PHE HE1 H 6.854 0.030 1 373 39 39 PHE HE2 H 6.854 0.030 1 374 39 39 PHE HZ H 6.737 0.030 1 375 39 39 PHE C C 175.140 0.300 1 376 39 39 PHE CA C 57.665 0.300 1 377 39 39 PHE CB C 43.525 0.300 1 378 39 39 PHE CD1 C 132.266 0.300 1 379 39 39 PHE CD2 C 132.266 0.300 1 380 39 39 PHE CE1 C 130.820 0.300 1 381 39 39 PHE CE2 C 130.820 0.300 1 382 39 39 PHE CZ C 129.618 0.300 1 383 39 39 PHE N N 117.177 0.300 1 384 40 40 THR H H 9.260 0.030 1 385 40 40 THR HA H 4.483 0.030 1 386 40 40 THR HB H 4.402 0.030 1 387 40 40 THR HG2 H 1.415 0.030 1 388 40 40 THR C C 174.217 0.300 1 389 40 40 THR CA C 64.447 0.300 1 390 40 40 THR CB C 69.834 0.300 1 391 40 40 THR CG2 C 22.866 0.300 1 392 40 40 THR N N 115.833 0.300 1 393 41 41 ILE H H 7.402 0.030 1 394 41 41 ILE HA H 4.617 0.030 1 395 41 41 ILE HB H 2.016 0.030 1 396 41 41 ILE HD1 H 0.868 0.030 1 397 41 41 ILE HG12 H 1.246 0.030 2 398 41 41 ILE HG13 H 1.367 0.030 2 399 41 41 ILE HG2 H 0.986 0.030 1 400 41 41 ILE C C 176.452 0.300 1 401 41 41 ILE CA C 59.498 0.300 1 402 41 41 ILE CB C 40.910 0.300 1 403 41 41 ILE CD1 C 12.921 0.300 1 404 41 41 ILE CG1 C 26.782 0.300 1 405 41 41 ILE CG2 C 17.894 0.300 1 406 41 41 ILE N N 116.323 0.300 1 407 42 42 GLN H H 8.582 0.030 1 408 42 42 GLN HA H 2.875 0.030 1 409 42 42 GLN HB2 H 1.669 0.030 2 410 42 42 GLN HB3 H 1.121 0.030 2 411 42 42 GLN HE21 H 6.860 0.030 2 412 42 42 GLN HE22 H 7.219 0.030 2 413 42 42 GLN HG2 H 1.860 0.030 2 414 42 42 GLN HG3 H 1.969 0.030 2 415 42 42 GLN C C 178.468 0.300 1 416 42 42 GLN CA C 59.740 0.300 1 417 42 42 GLN CB C 27.675 0.300 1 418 42 42 GLN CG C 33.828 0.300 1 419 42 42 GLN N N 128.858 0.300 1 420 42 42 GLN NE2 N 110.735 0.300 1 421 43 43 GLN H H 8.849 0.030 1 422 43 43 GLN HA H 3.852 0.030 1 423 43 43 GLN HB2 H 2.012 0.030 2 424 43 43 GLN HB3 H 1.731 0.030 2 425 43 43 GLN HE21 H 6.855 0.030 2 426 43 43 GLN HE22 H 7.279 0.030 2 427 43 43 GLN HG2 H 2.275 0.030 2 428 43 43 GLN HG3 H 2.398 0.030 2 429 43 43 GLN C C 177.399 0.300 1 430 43 43 GLN CA C 58.858 0.300 1 431 43 43 GLN CB C 28.134 0.300 1 432 43 43 GLN CG C 33.383 0.300 1 433 43 43 GLN N N 117.446 0.300 1 434 43 43 GLN NE2 N 111.218 0.300 1 435 44 44 ASN H H 6.904 0.030 1 436 44 44 ASN HA H 4.465 0.030 1 437 44 44 ASN HB2 H 2.768 0.030 2 438 44 44 ASN HB3 H 2.539 0.030 2 439 44 44 ASN HD21 H 7.303 0.030 2 440 44 44 ASN HD22 H 8.114 0.030 2 441 44 44 ASN C C 177.254 0.300 1 442 44 44 ASN CA C 54.524 0.300 1 443 44 44 ASN CB C 37.267 0.300 1 444 44 44 ASN N N 114.336 0.300 1 445 44 44 ASN ND2 N 113.257 0.300 1 446 45 45 LEU H H 6.914 0.030 1 447 45 45 LEU HA H 3.468 0.030 1 448 45 45 LEU HB2 H 2.068 0.030 2 449 45 45 LEU HB3 H 1.225 0.030 2 450 45 45 LEU HD1 H 0.865 0.030 1 451 45 45 LEU HD2 H 1.029 0.030 1 452 45 45 LEU HG H 1.371 0.030 1 453 45 45 LEU C C 177.035 0.300 1 454 45 45 LEU CA C 57.391 0.300 1 455 45 45 LEU CB C 40.547 0.300 1 456 45 45 LEU CD1 C 21.813 0.300 2 457 45 45 LEU CD2 C 26.551 0.300 2 458 45 45 LEU CG C 26.992 0.300 1 459 45 45 LEU N N 123.492 0.300 1 460 46 46 ILE H H 7.483 0.030 1 461 46 46 ILE HA H 3.620 0.030 1 462 46 46 ILE HB H 1.886 0.030 1 463 46 46 ILE HD1 H 0.776 0.030 1 464 46 46 ILE HG12 H 1.476 0.030 2 465 46 46 ILE HG13 H 1.196 0.030 2 466 46 46 ILE HG2 H 0.891 0.030 1 467 46 46 ILE C C 178.905 0.300 1 468 46 46 ILE CA C 65.250 0.300 1 469 46 46 ILE CB C 36.999 0.300 1 470 46 46 ILE CD1 C 12.134 0.300 1 471 46 46 ILE CG1 C 28.959 0.300 1 472 46 46 ILE CG2 C 17.099 0.300 1 473 46 46 ILE N N 119.918 0.300 1 474 47 47 LEU H H 7.739 0.030 1 475 47 47 LEU HA H 4.037 0.030 1 476 47 47 LEU HB2 H 1.645 0.030 2 477 47 47 LEU HB3 H 1.493 0.030 2 478 47 47 LEU HD1 H 0.900 0.030 1 479 47 47 LEU HD2 H 0.850 0.030 1 480 47 47 LEU HG H 1.758 0.030 1 481 47 47 LEU C C 179.124 0.300 1 482 47 47 LEU CA C 57.811 0.300 1 483 47 47 LEU CB C 41.539 0.300 1 484 47 47 LEU CD1 C 24.949 0.300 2 485 47 47 LEU CD2 C 22.814 0.300 2 486 47 47 LEU CG C 26.792 0.300 1 487 47 47 LEU N N 118.457 0.300 1 488 48 48 HIS H H 7.379 0.030 1 489 48 48 HIS HA H 4.278 0.030 1 490 48 48 HIS HB2 H 3.480 0.030 2 491 48 48 HIS HB3 H 2.972 0.030 2 492 48 48 HIS HD2 H 6.976 0.030 1 493 48 48 HIS HE1 H 7.913 0.030 1 494 48 48 HIS C C 176.986 0.300 1 495 48 48 HIS CA C 59.698 0.300 1 496 48 48 HIS CB C 28.612 0.300 1 497 48 48 HIS CD2 C 126.996 0.300 1 498 48 48 HIS CE1 C 140.171 0.300 1 499 48 48 HIS N N 119.669 0.300 1 500 49 49 TYR H H 8.535 0.030 1 501 49 49 TYR HA H 4.121 0.030 1 502 49 49 TYR HB2 H 3.222 0.030 1 503 49 49 TYR HB3 H 3.222 0.030 1 504 49 49 TYR HD1 H 7.201 0.030 1 505 49 49 TYR HD2 H 7.201 0.030 1 506 49 49 TYR HE1 H 7.260 0.030 1 507 49 49 TYR HE2 H 7.260 0.030 1 508 49 49 TYR C C 178.954 0.300 1 509 49 49 TYR CA C 61.821 0.300 1 510 49 49 TYR CB C 37.267 0.300 1 511 49 49 TYR CD1 C 131.811 0.300 1 512 49 49 TYR CD2 C 131.811 0.300 1 513 49 49 TYR CE1 C 119.410 0.300 1 514 49 49 TYR CE2 C 119.410 0.300 1 515 49 49 TYR N N 119.861 0.300 1 516 50 50 GLN H H 7.783 0.030 1 517 50 50 GLN HA H 4.054 0.030 1 518 50 50 GLN HB2 H 2.171 0.030 2 519 50 50 GLN HB3 H 2.046 0.030 2 520 50 50 GLN HE21 H 6.678 0.030 2 521 50 50 GLN HE22 H 7.376 0.030 2 522 50 50 GLN HG2 H 2.580 0.030 2 523 50 50 GLN HG3 H 2.370 0.030 2 524 50 50 GLN C C 177.521 0.300 1 525 50 50 GLN CA C 58.618 0.300 1 526 50 50 GLN CB C 28.885 0.300 1 527 50 50 GLN CG C 33.849 0.300 1 528 50 50 GLN N N 116.315 0.300 1 529 50 50 GLN NE2 N 110.592 0.300 1 530 51 51 ALA H H 8.270 0.030 1 531 51 51 ALA HA H 4.185 0.030 1 532 51 51 ALA HB H 1.432 0.030 1 533 51 51 ALA C C 179.367 0.300 1 534 51 51 ALA CA C 54.507 0.300 1 535 51 51 ALA CB C 19.709 0.300 1 536 51 51 ALA N N 119.658 0.300 1 537 52 52 VAL H H 8.178 0.030 1 538 52 52 VAL HA H 3.781 0.030 1 539 52 52 VAL HB H 0.875 0.030 1 540 52 52 VAL HG1 H 0.692 0.030 1 541 52 52 VAL HG2 H 0.226 0.030 1 542 52 52 VAL C C 176.379 0.300 1 543 52 52 VAL CA C 63.824 0.300 1 544 52 52 VAL CB C 32.560 0.300 1 545 52 52 VAL CG1 C 22.300 0.300 2 546 52 52 VAL CG2 C 20.777 0.300 2 547 52 52 VAL N N 114.573 0.300 1 548 53 53 HIS H H 6.787 0.030 1 549 53 53 HIS HA H 4.731 0.030 1 550 53 53 HIS HB2 H 2.965 0.030 2 551 53 53 HIS HB3 H 2.888 0.030 2 552 53 53 HIS HD2 H 6.247 0.030 1 553 53 53 HIS HE1 H 7.680 0.030 1 554 53 53 HIS C C 174.533 0.300 1 555 53 53 HIS CA C 54.266 0.300 1 556 53 53 HIS CB C 28.615 0.300 1 557 53 53 HIS CD2 C 127.340 0.300 1 558 53 53 HIS CE1 C 139.314 0.300 1 559 53 53 HIS N N 115.373 0.300 1 560 54 54 LYS H H 7.437 0.030 1 561 54 54 LYS HA H 4.162 0.030 1 562 54 54 LYS HB2 H 1.891 0.030 1 563 54 54 LYS HB3 H 1.891 0.030 1 564 54 54 LYS HD2 H 1.629 0.030 1 565 54 54 LYS HD3 H 1.629 0.030 1 566 54 54 LYS HE2 H 2.964 0.030 1 567 54 54 LYS HE3 H 2.964 0.030 1 568 54 54 LYS HG2 H 1.315 0.030 1 569 54 54 LYS HG3 H 1.315 0.030 1 570 54 54 LYS C C 176.258 0.300 1 571 54 54 LYS CA C 57.146 0.300 1 572 54 54 LYS CB C 30.453 0.300 1 573 54 54 LYS CD C 28.874 0.300 1 574 54 54 LYS CE C 42.230 0.300 1 575 54 54 LYS CG C 24.705 0.300 1 576 54 54 LYS N N 117.917 0.300 1 577 55 55 SER H H 8.058 0.030 1 578 55 55 SER HA H 4.498 0.030 1 579 55 55 SER HB2 H 3.725 0.030 2 580 55 55 SER HB3 H 3.847 0.030 2 581 55 55 SER C C 173.513 0.300 1 582 55 55 SER CA C 57.924 0.300 1 583 55 55 SER CB C 64.635 0.300 1 584 55 55 SER N N 113.404 0.300 1 585 56 56 ASP H H 8.188 0.030 1 586 56 56 ASP HA H 4.651 0.030 1 587 56 56 ASP HB2 H 2.520 0.030 2 588 56 56 ASP HB3 H 2.662 0.030 2 589 56 56 ASP C C 175.748 0.300 1 590 56 56 ASP CA C 53.990 0.300 1 591 56 56 ASP CB C 41.471 0.300 1 592 56 56 ASP N N 121.111 0.300 1 593 57 57 LEU H H 8.127 0.030 1 594 57 57 LEU HA H 4.222 0.030 1 595 57 57 LEU HB2 H 1.427 0.030 2 596 57 57 LEU HB3 H 1.489 0.030 2 597 57 57 LEU HD1 H 0.826 0.030 1 598 57 57 LEU HD2 H 0.791 0.030 1 599 57 57 LEU HG H 1.557 0.030 1 600 57 57 LEU C C 175.043 0.300 1 601 57 57 LEU CA C 53.208 0.300 1 602 57 57 LEU CB C 41.967 0.300 1 603 57 57 LEU CD1 C 25.216 0.300 2 604 57 57 LEU CD2 C 24.159 0.300 2 605 57 57 LEU CG C 26.837 0.300 1 606 57 57 LEU N N 122.928 0.300 1 607 58 58 PRO HA H 4.249 0.030 1 608 58 58 PRO HB2 H 1.679 0.030 2 609 58 58 PRO HB3 H 2.105 0.030 2 610 58 58 PRO HD2 H 3.342 0.030 2 611 58 58 PRO HD3 H 3.522 0.030 2 612 58 58 PRO HG2 H 1.833 0.030 2 613 58 58 PRO HG3 H 1.874 0.030 2 614 58 58 PRO C C 176.331 0.300 1 615 58 58 PRO CA C 62.934 0.300 1 616 58 58 PRO CB C 31.996 0.300 1 617 58 58 PRO CD C 50.571 0.300 1 618 58 58 PRO CG C 27.375 0.300 1 619 59 59 ALA H H 8.182 0.030 1 620 59 59 ALA HA H 4.180 0.030 1 621 59 59 ALA HB H 1.247 0.030 1 622 59 59 ALA C C 177.351 0.300 1 623 59 59 ALA CA C 52.384 0.300 1 624 59 59 ALA CB C 19.183 0.300 1 625 59 59 ALA N N 123.552 0.300 1 626 60 60 PHE H H 8.041 0.030 1 627 60 60 PHE HA H 4.609 0.030 1 628 60 60 PHE HB2 H 3.022 0.030 2 629 60 60 PHE HB3 H 3.094 0.030 2 630 60 60 PHE HD1 H 7.206 0.030 1 631 60 60 PHE HD2 H 7.206 0.030 1 632 60 60 PHE C C 175.505 0.300 1 633 60 60 PHE CA C 57.403 0.300 1 634 60 60 PHE CB C 39.766 0.300 1 635 60 60 PHE CD1 C 131.976 0.300 1 636 60 60 PHE CD2 C 131.976 0.300 1 637 60 60 PHE N N 118.815 0.300 1 638 61 61 SER H H 8.147 0.030 1 639 61 61 SER HA H 4.384 0.030 1 640 61 61 SER HB2 H 3.777 0.030 1 641 61 61 SER HB3 H 3.777 0.030 1 642 61 61 SER C C 173.780 0.300 1 643 61 61 SER CA C 57.919 0.300 1 644 61 61 SER CB C 63.975 0.300 1 645 61 61 SER N N 117.547 0.300 1 646 62 62 ALA H H 8.305 0.030 1 647 62 62 ALA HA H 4.298 0.030 1 648 62 62 ALA HB H 1.376 0.030 1 649 62 62 ALA C C 177.496 0.300 1 650 62 62 ALA CA C 52.463 0.300 1 651 62 62 ALA CB C 19.449 0.300 1 652 62 62 ALA N N 126.369 0.300 1 653 63 63 GLU H H 8.345 0.030 1 654 63 63 GLU HA H 4.265 0.030 1 655 63 63 GLU HB2 H 1.897 0.030 2 656 63 63 GLU HB3 H 2.016 0.030 2 657 63 63 GLU HG2 H 2.263 0.030 2 658 63 63 GLU HG3 H 2.220 0.030 2 659 63 63 GLU C C 176.452 0.300 1 660 63 63 GLU CA C 56.614 0.300 1 661 63 63 GLU CB C 30.192 0.300 1 662 63 63 GLU CG C 36.220 0.300 1 663 63 63 GLU N N 120.055 0.300 1 664 64 64 VAL H H 8.128 0.030 1 665 64 64 VAL HA H 4.103 0.030 1 666 64 64 VAL HB H 2.037 0.030 1 667 64 64 VAL HG1 H 0.895 0.030 1 668 64 64 VAL HG2 H 0.888 0.030 1 669 64 64 VAL C C 176.088 0.300 1 670 64 64 VAL CA C 62.097 0.300 1 671 64 64 VAL CB C 33.052 0.300 1 672 64 64 VAL CG1 C 20.500 0.300 2 673 64 64 VAL CG2 C 21.285 0.300 2 674 64 64 VAL N N 120.914 0.300 1 675 65 65 GLU H H 8.470 0.030 1 676 65 65 GLU HA H 4.276 0.030 1 677 65 65 GLU HB2 H 1.903 0.030 2 678 65 65 GLU HB3 H 2.016 0.030 2 679 65 65 GLU HG2 H 2.262 0.030 2 680 65 65 GLU HG3 H 2.220 0.030 2 681 65 65 GLU C C 176.355 0.300 1 682 65 65 GLU CA C 56.614 0.300 1 683 65 65 GLU CB C 30.444 0.300 1 684 65 65 GLU CG C 36.226 0.300 1 685 65 65 GLU N N 125.150 0.300 1 686 66 66 GLU H H 8.473 0.030 1 687 66 66 GLU HA H 4.251 0.030 1 688 66 66 GLU HB2 H 1.909 0.030 2 689 66 66 GLU HB3 H 2.024 0.030 2 690 66 66 GLU HG2 H 2.248 0.030 1 691 66 66 GLU HG3 H 2.248 0.030 1 692 66 66 GLU C C 176.501 0.300 1 693 66 66 GLU CA C 56.565 0.300 1 694 66 66 GLU CB C 30.425 0.300 1 695 66 66 GLU CG C 36.195 0.300 1 696 66 66 GLU N N 122.681 0.300 1 697 67 67 GLU H H 8.527 0.030 1 698 67 67 GLU HA H 4.275 0.030 1 699 67 67 GLU HB2 H 2.049 0.030 2 700 67 67 GLU HB3 H 1.938 0.030 2 701 67 67 GLU HG2 H 2.248 0.030 1 702 67 67 GLU HG3 H 2.248 0.030 1 703 67 67 GLU C C 176.525 0.300 1 704 67 67 GLU CA C 56.565 0.300 1 705 67 67 GLU CB C 30.343 0.300 1 706 67 67 GLU CG C 36.360 0.300 1 707 67 67 GLU N N 122.638 0.300 1 708 68 68 SER H H 8.425 0.030 1 709 68 68 SER HA H 4.467 0.030 1 710 68 68 SER HB2 H 3.858 0.030 1 711 68 68 SER HB3 H 3.858 0.030 1 712 68 68 SER C C 174.655 0.300 1 713 68 68 SER CA C 58.376 0.300 1 714 68 68 SER CB C 63.975 0.300 1 715 68 68 SER N N 117.237 0.300 1 716 69 69 GLY H H 8.272 0.030 1 717 69 69 GLY HA2 H 4.045 0.030 2 718 69 69 GLY HA3 H 4.155 0.030 2 719 69 69 GLY C C 171.788 0.300 1 720 69 69 GLY CA C 44.677 0.300 1 721 69 69 GLY N N 126.639 0.300 1 722 70 70 PRO HA H 4.457 0.030 1 723 70 70 PRO HB2 H 1.947 0.030 2 724 70 70 PRO HB3 H 2.268 0.030 2 725 70 70 PRO HD2 H 3.606 0.030 1 726 70 70 PRO HD3 H 3.606 0.030 1 727 70 70 PRO HG2 H 1.968 0.030 1 728 70 70 PRO HG3 H 1.968 0.030 1 729 70 70 PRO C C 177.424 0.300 1 730 70 70 PRO CA C 63.212 0.300 1 731 70 70 PRO CB C 32.239 0.300 1 732 70 70 PRO CD C 49.797 0.300 1 733 70 70 PRO CG C 27.210 0.300 1 734 71 71 SER H H 8.543 0.030 1 735 71 71 SER HA H 4.485 0.030 1 736 71 71 SER HB2 H 3.886 0.030 1 737 71 71 SER HB3 H 3.886 0.030 1 738 71 71 SER C C 174.776 0.300 1 739 71 71 SER CA C 58.339 0.300 1 740 71 71 SER CB C 63.645 0.300 1 741 71 71 SER N N 116.514 0.300 1 742 72 72 SER H H 8.353 0.030 1 743 72 72 SER HA H 4.475 0.030 1 744 72 72 SER HB2 H 3.874 0.030 1 745 72 72 SER HB3 H 3.874 0.030 1 746 72 72 SER C C 173.974 0.300 1 747 72 72 SER CA C 58.384 0.300 1 748 72 72 SER CB C 64.057 0.300 1 749 72 72 SER N N 117.973 0.300 1 750 73 73 GLY H H 8.052 0.030 1 751 73 73 GLY HA2 H 3.737 0.030 2 752 73 73 GLY HA3 H 3.763 0.030 2 753 73 73 GLY C C 179.002 0.300 1 754 73 73 GLY CA C 46.204 0.300 1 755 73 73 GLY N N 116.848 0.300 1 stop_ save_